format-version: 1.2 data-version: releases/2022-06-23 subsetdef: 1_STAR "" subsetdef: 2_STAR "" subsetdef: 3_STAR "" subsetdef: attribute_slim "" subsetdef: EnvO-Lite-GSC "" subsetdef: goslim_agr "" subsetdef: goslim_aspergillus "" subsetdef: goslim_candida "" subsetdef: goslim_chembl "" subsetdef: goslim_drosophila "" subsetdef: goslim_flybase_ribbon "" subsetdef: goslim_generic "" subsetdef: goslim_metagenomics "" subsetdef: goslim_mouse "" subsetdef: goslim_pir "" subsetdef: goslim_plant "" subsetdef: goslim_pombe "" subsetdef: goslim_yeast "" subsetdef: http://purl.obolibrary.org/obo/valid_for_go_annotation_extension "" subsetdef: http://purl.obolibrary.org/obo/valid_for_go_gp2term "" subsetdef: http://purl.obolibrary.org/obo/valid_for_go_ontology "" subsetdef: http://purl.obolibrary.org/obo/valid_for_gocam "" subsetdef: reference "" subsetdef: relational_slim "" subsetdef: ro-eco "" subsetdef: RO:0002259 "" subsetdef: scalar_slim "" subsetdef: TraitNet "" ontology: cdno property_value: http://purl.org/dc/elements/1.1/description "None" xsd:string property_value: http://purl.org/dc/elements/1.1/title "Compositional Dietary Nutrition Ontology" xsd:string property_value: http://purl.org/dc/terms/license https://creativecommons.org/licenses/unspecified [Term] id: BFO:0000023 name: role def: "A realizable entity the manifestation of which brings about some result or end that is not essential to a continuant in virtue of the kind of thing that it is but that can be served or participated in by that kind of continuant in some kinds of natural, social or institutional contexts." [] [Term] id: BFO:0000040 name: material entity def: "An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time." [] [Term] id: CDNO:0000001 name: dietary chemical component def: "A material entity that is ingested and contributes to survival, growth and development" [] is_a: BFO:0000040 ! material entity [Term] id: CDNO:0000002 name: dry plant matter def: "Material which remains after the removal of water from plant matter." [] synonym: "dry matter" EXACT [] is_a: CDNO:0000001 ! dietary chemical component [Term] id: CDNO:0000003 name: available carbohydrate def: "Carbohydrates that are absorbed in the small intestine and provide carbohydrate for metabolism in monogastric animals." [https://openlibrary-repo.ecampusontario.ca/jspui/handle/123456789/830, https://www.nature.com/articles/1602937] synonym: "digestible carbohydrate" EXACT [] is_a: CHEBI:16646 ! carbohydrate [Term] id: CDNO:0000004 name: free sugar def: "Available carbohydrate in monosaccharide and disaccharide form" [https://doi.org/10.3390/nu8090582] is_a: CDNO:0000003 ! available carbohydrate [Term] id: CDNO:0000005 name: dietary fibre def: "A carbohydrate that resists enzymatic digestion in the digestive systems of humans and other monogastric species." [https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3614039/] is_a: CHEBI:16646 ! carbohydrate [Term] id: CDNO:0000006 name: soluble dietary fibre def: "Dietary fibre which dissolves in water and is primarily fermented in the colon of monogastric animals by gut bacteria" [http://dx.doi.org/10.20431/2454-6224.0310004, https://doi.org/10.4141/A05-049] is_a: CDNO:0000005 ! dietary fibre [Term] id: CDNO:0000007 name: resistant starch def: "A portion of starch that cannot be digested by amylases in the small intestine" [https://academic.oup.com/advances/article/4/6/587/4595564, https://pubmed.ncbi.nlm.nih.gov/2998174/] is_a: CDNO:0000006 ! soluble dietary fibre [Term] id: CDNO:0000008 name: insoluble dietary fibre def: "Dietary fibre which does not dissolve in water and is inert to digestive enzymes in the upper gastrointestinal tract of monogastric animals." [https://en.wikipedia.org/wiki/Dietary_fiber#cite_note-Oregon-3] is_a: CDNO:0000005 ! dietary fibre [Term] id: CDNO:0000009 name: seed storage protein def: "A protein that accumulates in developing seeds or grains." [https://doi.org/10.1016/B978-0-12-374984-0.01378-4] is_a: CHEBI:36080 ! protein [Term] id: CDNO:0000011 name: macro element def: "A mineral nutrient that represents a major proportion of the minerals required in the diet" [] synonym: "macromineral" EXACT [] is_a: CHEBI:167164 ! mineral nutrient [Term] id: CDNO:0000012 name: trace element def: "Mineral nutrient that is present in a very low concentration within the diet" [] synonym: "micromineral" EXACT [] is_a: CHEBI:167164 ! mineral nutrient [Term] id: CDNO:0000013 name: plant secondary metabolite def: "A plant metabolite that is not essential for growth or division of plant cells." [] synonym: "secondary metabolite" EXACT [] is_a: CDNO:0000001 ! dietary chemical component [Term] id: CDNO:0000014 name: vitamin (molecular entity) def: "An organic molecule that has a vitamin(role)" [] comment: This term can be assigned to CHEBI or any other ontology that claims it is_a: CDNO:0000001 ! dietary chemical component [Term] id: CDNO:0000015 name: dietary calcium def: "Calcium ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts" [https://doi.org/10.1080/07315724.2000.10718083] is_a: CDNO:0000011 ! macro element [Term] id: CDNO:0000016 name: dietary chlorine def: "Chlorine ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts" [https://doi.org/10.1161/01.HYP.17.1_Suppl.I158] is_a: CDNO:0000011 ! macro element [Term] id: CDNO:0000017 name: dietary magnesium def: "Magnesium ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts" [https://doi.org/10.1093/jn/133.9.2879] is_a: CDNO:0000011 ! macro element [Term] id: CDNO:0000018 name: dietary phosphorus def: "Phosphorus ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts" [https://doi.org/10.1681/ASN.2008101106] is_a: CDNO:0000011 ! macro element [Term] id: CDNO:0000019 name: dietary potassium def: "Potassium ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts" [] is_a: CDNO:0000011 ! macro element [Term] id: CDNO:0000020 name: dietary sodium def: "Sodium ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts" [] is_a: CDNO:0000011 ! macro element [Term] id: CDNO:0000021 name: dietary sulfur def: "Sulfur ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts" [https://doi.org/10.1186/1743-7075-4-24\,%20https\://doi.org/10.1016/j.nut.2010.01.014] is_a: CDNO:0000011 ! macro element [Term] id: CDNO:0000022 name: dietary chromium def: "Chromium ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts" [https://doi.org/10.1016/0048-9697(89)90196-4\,%20https\://doi.org/10.1007/BF02784595] is_a: CDNO:0000012 ! trace element [Term] id: CDNO:0000023 name: dietary copper def: "Copper ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts" [https://doi.org/10.1093/ajcn/49.5.870] is_a: CDNO:0000012 ! trace element [Term] id: CDNO:0000024 name: dietary fluorine def: "Fluorine ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts" [https://doi.org/10.1093/ajcn/12.6.455] is_a: CDNO:0000012 ! trace element [Term] id: CDNO:0000025 name: dietary iodine def: "Iodine ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts" [https://doi.org/10.1079/PHN2003554] is_a: CDNO:0000012 ! trace element [Term] id: CDNO:0000026 name: dietary iron def: "Iron ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts" [] is_a: CDNO:0000012 ! trace element [Term] id: CDNO:0000027 name: dietary manganese def: "Manganese ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts" [https://doi.org/10.1096/fj.201902396R] is_a: CDNO:0000012 ! trace element [Term] id: CDNO:0000028 name: dietary molybdenum def: "Molybdenum ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts" [https://doi.org/10.1016/j.jnutbio.2003.10.003] is_a: CDNO:0000012 ! trace element [Term] id: CDNO:0000029 name: dietary selenium def: "Selenium ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts" [https://doi.org/10.3390/nu7031494] is_a: CDNO:0000012 ! trace element [Term] id: CDNO:0000030 name: dietary zinc def: "Zinc ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts" [] is_a: CDNO:0000012 ! trace element [Term] id: CDNO:0000031 name: gum def: "A complex carbohydrate with various rheological properties that result in viscoelastic behavior" [https://doi.org/10.4013/4964] is_a: CHEBI:18154 ! polysaccharide [Term] id: CDNO:0100001 name: amylopectin derived from starch def: "Amylopectin which is derived from starch." [] is_a: CHEBI:28057 ! amylopectin intersection_of: CHEBI:28057 ! amylopectin intersection_of: RO:0001000 CHEBI:28017 ! derives from starch relationship: RO:0001000 CHEBI:28017 ! derives from starch [Term] id: CDNO:0100002 name: amylose derived from starch def: "Amylose which is derived from starch." [] is_a: CHEBI:28102 ! amylose intersection_of: CHEBI:28102 ! amylose intersection_of: RO:0001000 CHEBI:28017 ! derives from starch relationship: RO:0001000 CHEBI:28017 ! derives from starch [Term] id: CDNO:0100003 name: galacturonan derived from pectin def: "Galacturonan which is derived from pectin." [] is_a: CHEBI:24174 ! galacturonan intersection_of: CHEBI:24174 ! galacturonan intersection_of: RO:0001000 CHEBI:17309 ! derives from pectin relationship: RO:0001000 CHEBI:17309 ! derives from pectin [Term] id: CDNO:0100004 name: rhamnogalacturonan derived from pectin def: "Rhamnogalacturonan which is derived from pectin." [] is_a: CDNO:0100003 ! galacturonan derived from pectin is_a: CHEBI:26543 ! rhamnogalacturonan intersection_of: CHEBI:26543 ! rhamnogalacturonan intersection_of: RO:0001000 CHEBI:17309 ! derives from pectin [Term] id: CDNO:0100005 name: mannan derived from hemicellulose def: "Mannan which is derived from hemicellulose." [] is_a: CHEBI:28808 ! mannan intersection_of: CHEBI:28808 ! mannan intersection_of: RO:0001000 CHEBI:61266 ! derives from hemicellulose relationship: RO:0001000 CHEBI:61266 ! derives from hemicellulose [Term] id: CDNO:0100006 name: xylan derived from hemicellulose def: "Xylan which is derived from hemicellulose." [] is_a: CHEBI:37166 ! xylan intersection_of: CHEBI:37166 ! xylan intersection_of: RO:0001000 CHEBI:61266 ! derives from hemicellulose relationship: RO:0001000 CHEBI:61266 ! derives from hemicellulose [Term] id: CDNO:0100007 name: xyloglucan derived from hemicellulose def: "Xyloglucan which is derived from hemicellulose." [] is_a: CHEBI:18233 ! xyloglucan intersection_of: CHEBI:18233 ! xyloglucan intersection_of: RO:0001000 CHEBI:61266 ! derives from hemicellulose relationship: RO:0001000 CHEBI:61266 ! derives from hemicellulose [Term] id: CDNO:0100008 name: glucomannan derived from hemicellulose def: "Glucomannan which is derived from hemicellulose." [] is_a: CHEBI:17020 ! glucomannan intersection_of: CHEBI:17020 ! glucomannan intersection_of: RO:0001000 CHEBI:61266 ! derives from hemicellulose relationship: RO:0001000 CHEBI:61266 ! derives from hemicellulose [Term] id: CDNO:0100009 name: arabinoxylan derived from hemicellulose def: "Arabinoxylan which is derived from hemicellulose." [] is_a: CHEBI:28427 ! arabinoxylan intersection_of: CHEBI:28427 ! arabinoxylan intersection_of: RO:0001000 CHEBI:61266 ! derives from hemicellulose relationship: RO:0001000 CHEBI:61266 ! derives from hemicellulose [Term] id: CDNO:0100010 name: fructan derived from hemicellulose def: "Fructan which is derived from hemicellulose." [] is_a: CHEBI:28796 ! fructan intersection_of: CHEBI:28796 ! fructan intersection_of: RO:0001000 CHEBI:61266 ! derives from hemicellulose relationship: RO:0001000 CHEBI:61266 ! derives from hemicellulose [Term] id: CDNO:0100011 name: arabinan derived from hemicellulose def: "Arabinan which is derived from hemicellulose." [] is_a: CHEBI:22590 ! arabinan intersection_of: CHEBI:22590 ! arabinan intersection_of: RO:0001000 CHEBI:61266 ! derives from hemicellulose relationship: RO:0001000 CHEBI:61266 ! derives from hemicellulose [Term] id: CDNO:0100012 name: galactomannan derived from hemicellulose def: "Galactomannan which is derived from hemicellulose." [] is_a: CHEBI:27680 ! galactomannan intersection_of: CHEBI:27680 ! galactomannan intersection_of: RO:0001000 CHEBI:61266 ! derives from hemicellulose relationship: RO:0001000 CHEBI:61266 ! derives from hemicellulose [Term] id: CDNO:0100013 name: galactan derived from hemicellulose def: "Galactan which is derived from hemicellulose." [] is_a: CHEBI:37165 ! galactan intersection_of: CHEBI:37165 ! galactan intersection_of: RO:0001000 CHEBI:61266 ! derives from hemicellulose relationship: RO:0001000 CHEBI:61266 ! derives from hemicellulose [Term] id: CDNO:0100014 name: glucose derived from amylopectin derived from starch def: "Glucose which is derived from amylopectin derived from starch." [] is_a: CHEBI:17234 ! glucose intersection_of: CHEBI:17234 ! glucose intersection_of: RO:0001000 CDNO:0100001 ! derives from amylopectin derived from starch relationship: RO:0001000 CDNO:0100001 ! derives from amylopectin derived from starch [Term] id: CDNO:0100015 name: glucose derived from amylose derived from starch def: "Glucose which is derived from amylose derived from starch." [] is_a: CHEBI:17234 ! glucose intersection_of: CHEBI:17234 ! glucose intersection_of: RO:0001000 CDNO:0100002 ! derives from amylose derived from starch relationship: RO:0001000 CDNO:0100002 ! derives from amylose derived from starch [Term] id: CDNO:0100016 name: glucose derived from sucrose def: "Glucose which is derived from sucrose." [] is_a: CHEBI:17234 ! glucose intersection_of: CHEBI:17234 ! glucose intersection_of: RO:0001000 CHEBI:17992 ! derives from sucrose relationship: RO:0001000 CHEBI:17992 ! derives from sucrose [Term] id: CDNO:0100017 name: fructose derived from sucrose def: "Fructose which is derived from sucrose." [] is_a: CHEBI:28757 ! fructose intersection_of: CHEBI:28757 ! fructose intersection_of: RO:0001000 CHEBI:17992 ! derives from sucrose relationship: RO:0001000 CHEBI:17992 ! derives from sucrose [Term] id: CDNO:0100018 name: glucose derived from maltose def: "Glucose which is derived from maltose." [] is_a: CHEBI:17234 ! glucose intersection_of: CHEBI:17234 ! glucose intersection_of: RO:0001000 CHEBI:17306 ! derives from maltose relationship: RO:0001000 CHEBI:17306 ! derives from maltose [Term] id: CDNO:0100019 name: galacturonic acid derived from galacturonan derived from pectin def: "Galacturonic acid which is derived from galacturonan derived from pectin." [] is_a: CHEBI:33830 ! galacturonic acid intersection_of: CHEBI:33830 ! galacturonic acid intersection_of: RO:0001000 CDNO:0100003 ! derives from galacturonan derived from pectin relationship: RO:0001000 CDNO:0100003 ! derives from galacturonan derived from pectin [Term] id: CDNO:0100020 name: rhamnose derived from rhamnogalacturonan derived from pectin def: "Rhamnose which is derived from rhamnogalacturonan derived from pectin." [] is_a: CHEBI:26546 ! rhamnose intersection_of: CHEBI:26546 ! rhamnose intersection_of: RO:0001000 CDNO:0100004 ! derives from rhamnogalacturonan derived from pectin relationship: RO:0001000 CDNO:0100004 ! derives from rhamnogalacturonan derived from pectin [Term] id: CDNO:0100021 name: D-apiose derived from rhamnogalacturonan derived from pectin def: "D-apiose which is derived from rhamnogalacturonan derived from pectin." [] is_a: CHEBI:16689 ! D-apiose intersection_of: CHEBI:16689 ! D-apiose intersection_of: RO:0001000 CDNO:0100004 ! derives from rhamnogalacturonan derived from pectin relationship: RO:0001000 CDNO:0100004 ! derives from rhamnogalacturonan derived from pectin [Term] id: CDNO:0100022 name: galacturonic acid derived from rhamnogalacturonan derived from pectin def: "Galacturonic acid which is derived from rhamnogalacturonan derived from pectin." [] is_a: CDNO:0100019 ! galacturonic acid derived from galacturonan derived from pectin intersection_of: CHEBI:33830 ! galacturonic acid intersection_of: RO:0001000 CDNO:0100004 ! derives from rhamnogalacturonan derived from pectin relationship: RO:0001000 CDNO:0100004 ! derives from rhamnogalacturonan derived from pectin [Term] id: CDNO:0100023 name: fucose derived from rhamnogalacturonan derived from pectin def: "Fucose which is derived from rhamnogalacturonan derived from pectin." [] is_a: CHEBI:33984 ! fucose intersection_of: CHEBI:33984 ! fucose intersection_of: RO:0001000 CDNO:0100004 ! derives from rhamnogalacturonan derived from pectin relationship: RO:0001000 CDNO:0100004 ! derives from rhamnogalacturonan derived from pectin [Term] id: CDNO:0100024 name: xylose derived from rhamnogalacturonan derived from pectin def: "Xylose which is derived from rhamnogalacturonan derived from pectin." [] is_a: CHEBI:18222 ! xylose intersection_of: CHEBI:18222 ! xylose intersection_of: RO:0001000 CDNO:0100004 ! derives from rhamnogalacturonan derived from pectin relationship: RO:0001000 CDNO:0100004 ! derives from rhamnogalacturonan derived from pectin [Term] id: CDNO:0100025 name: arabinose derived from rhamnogalacturonan derived from pectin def: "Arabinose which is derived from rhamnogalacturonan derived from pectin." [] is_a: CHEBI:22599 ! arabinose intersection_of: CHEBI:22599 ! arabinose intersection_of: RO:0001000 CDNO:0100004 ! derives from rhamnogalacturonan derived from pectin relationship: RO:0001000 CDNO:0100004 ! derives from rhamnogalacturonan derived from pectin [Term] id: CDNO:0100026 name: galactose derived from rhamnogalacturonan derived from pectin def: "Galactose which is derived from rhamnogalacturonan derived from pectin." [] is_a: CHEBI:28260 ! galactose intersection_of: CHEBI:28260 ! galactose intersection_of: RO:0001000 CDNO:0100004 ! derives from rhamnogalacturonan derived from pectin relationship: RO:0001000 CDNO:0100004 ! derives from rhamnogalacturonan derived from pectin [Term] id: CDNO:0100027 name: raffinose derived from raffinose family oligosaccharide def: "Raffinose which is derived from raffinose family oligosaccharide." [] is_a: CHEBI:16634 ! raffinose intersection_of: CHEBI:16634 ! raffinose intersection_of: RO:0001000 CHEBI:74961 ! derives from raffinose family oligosaccharide relationship: RO:0001000 CHEBI:74961 ! derives from raffinose family oligosaccharide [Term] id: CDNO:0100028 name: galactose derived from raffinose derived from raffinose family oligosaccharide def: "Galactose which is derived from raffinose derived from raffinose family oligosaccharide." [] is_a: CHEBI:28260 ! galactose intersection_of: CHEBI:28260 ! galactose intersection_of: RO:0001000 CDNO:0100027 ! derives from raffinose derived from raffinose family oligosaccharide relationship: RO:0001000 CDNO:0100027 ! derives from raffinose derived from raffinose family oligosaccharide [Term] id: CDNO:0100029 name: glucose derived from raffinose derived from raffinose family oligosaccharide def: "Glucose which is derived from raffinose derived from raffinose family oligosaccharide." [] is_a: CHEBI:17234 ! glucose intersection_of: CHEBI:17234 ! glucose intersection_of: RO:0001000 CDNO:0100027 ! derives from raffinose derived from raffinose family oligosaccharide relationship: RO:0001000 CDNO:0100027 ! derives from raffinose derived from raffinose family oligosaccharide [Term] id: CDNO:0100030 name: fructose derived from raffinose derived from raffinose family oligosaccharide def: "Fructose which is derived from raffinose derived from raffinose family oligosaccharide." [] is_a: CHEBI:28757 ! fructose intersection_of: CHEBI:28757 ! fructose intersection_of: RO:0001000 CDNO:0100027 ! derives from raffinose derived from raffinose family oligosaccharide relationship: RO:0001000 CDNO:0100027 ! derives from raffinose derived from raffinose family oligosaccharide [Term] id: CDNO:0100031 name: stachyose derived from raffinose family oligosaccharide def: "Stachyose which is derived from raffinose family oligosaccharide." [] is_a: CHEBI:17164 ! stachyose intersection_of: CHEBI:17164 ! stachyose intersection_of: RO:0001000 CHEBI:74961 ! derives from raffinose family oligosaccharide relationship: RO:0001000 CHEBI:74961 ! derives from raffinose family oligosaccharide [Term] id: CDNO:0100032 name: galactose derived from stachyose derived from raffinose family oligosaccharide def: "Galactose which is derived from stachyose derived from raffinose family oligosaccharide." [] is_a: CHEBI:28260 ! galactose intersection_of: CHEBI:28260 ! galactose intersection_of: RO:0001000 CDNO:0100031 ! derives from stachyose derived from raffinose family oligosaccharide relationship: RO:0001000 CDNO:0100031 ! derives from stachyose derived from raffinose family oligosaccharide [Term] id: CDNO:0100033 name: glucose derived from stachyose derived from raffinose family oligosaccharidee def: "Glucose which is derived from stachyose derived from raffinose family oligosaccharide." [] is_a: CHEBI:17234 ! glucose intersection_of: CHEBI:17234 ! glucose intersection_of: RO:0001000 CDNO:0100031 ! derives from stachyose derived from raffinose family oligosaccharide relationship: RO:0001000 CDNO:0100031 ! derives from stachyose derived from raffinose family oligosaccharide [Term] id: CDNO:0100034 name: fructose derived from stachyose derived from raffinose family oligosaccharide def: "Fructose which is derived from stachyose derived from raffinose family oligosaccharide." [] is_a: CHEBI:28757 ! fructose intersection_of: CHEBI:28757 ! fructose intersection_of: RO:0001000 CDNO:0100031 ! derives from stachyose derived from raffinose family oligosaccharide relationship: RO:0001000 CDNO:0100031 ! derives from stachyose derived from raffinose family oligosaccharide [Term] id: CDNO:0100035 name: verbascose derived from raffinose family oligosaccharide def: "Verbascose which is derived from raffinose family oligosaccharide." [] is_a: CHEBI:28586 ! verbascose intersection_of: CHEBI:28586 ! verbascose intersection_of: RO:0001000 CHEBI:74961 ! derives from raffinose family oligosaccharide relationship: RO:0001000 CHEBI:74961 ! derives from raffinose family oligosaccharide [Term] id: CDNO:0100036 name: galactose derived from verbascose derived from raffinose family oligosaccharide def: "Galactose which is derived from verbascose derived from raffinose family oligosaccharide." [] is_a: CHEBI:28260 ! galactose intersection_of: CHEBI:28260 ! galactose intersection_of: RO:0001000 CDNO:0100035 ! derives from verbascose derived from raffinose family oligosaccharide relationship: RO:0001000 CDNO:0100035 ! derives from verbascose derived from raffinose family oligosaccharide [Term] id: CDNO:0100037 name: glucose derived from verbascose derived from raffinose family oligosaccharide def: "Glucose which is derived from verbascose derived from raffinose family oligosaccharide." [] is_a: CHEBI:17234 ! glucose intersection_of: CHEBI:17234 ! glucose intersection_of: RO:0001000 CDNO:0100035 ! derives from verbascose derived from raffinose family oligosaccharide relationship: RO:0001000 CDNO:0100035 ! derives from verbascose derived from raffinose family oligosaccharide [Term] id: CDNO:0100038 name: fructose derived from verbascose derived from raffinose family oligosaccharide def: "Fructose which is derived from verbascose derived from raffinose family oligosaccharide." [] is_a: CHEBI:28757 ! fructose intersection_of: CHEBI:28757 ! fructose intersection_of: RO:0001000 CDNO:0100035 ! derives from verbascose derived from raffinose family oligosaccharide relationship: RO:0001000 CDNO:0100035 ! derives from verbascose derived from raffinose family oligosaccharide [Term] id: CDNO:0100039 name: glucose derived from cellulose def: "Glucose which is derived from cellulose." [] is_a: CHEBI:17234 ! glucose intersection_of: CHEBI:17234 ! glucose intersection_of: RO:0001000 CHEBI:62967 ! derives from amorphous cellulose relationship: RO:0001000 CHEBI:62967 ! derives from amorphous cellulose [Term] id: CDNO:0100040 name: mannose derived from mannan derived from hemicellulose def: "Mannose which is derived from mannan derived from hemicellulose." [] is_a: CHEBI:37684 ! mannose intersection_of: CHEBI:37684 ! mannose intersection_of: RO:0001000 CDNO:0100005 ! derives from mannan derived from hemicellulose relationship: RO:0001000 CDNO:0100005 ! derives from mannan derived from hemicellulose [Term] id: CDNO:0100041 name: glucose derived from xylan derived from hemicellulose def: "Glucose which is derived from xylan derived from hemicellulose." [] is_a: CHEBI:17234 ! glucose intersection_of: CHEBI:17234 ! glucose intersection_of: RO:0001000 CDNO:0100006 ! derives from xylan derived from hemicellulose relationship: RO:0001000 CDNO:0100006 ! derives from xylan derived from hemicellulose [Term] id: CDNO:0100042 name: xylose derived from xylan derived from hemicellulose def: "Xylose which is derived from xylan derived from hemicellulose." [] is_a: CHEBI:18222 ! xylose intersection_of: CHEBI:18222 ! xylose intersection_of: RO:0001000 CDNO:0100006 ! derives from xylan derived from hemicellulose relationship: RO:0001000 CDNO:0100006 ! derives from xylan derived from hemicellulose [Term] id: CDNO:0100043 name: glucose derived from xyloglucan derived from hemicellulose def: "Glucose which is derived from xyloglucan derived from hemicellulose." [] is_a: CHEBI:17234 ! glucose intersection_of: CHEBI:17234 ! glucose intersection_of: RO:0001000 CDNO:0100007 ! derives from xyloglucan derived from hemicellulose relationship: RO:0001000 CDNO:0100007 ! derives from xyloglucan derived from hemicellulose [Term] id: CDNO:0100044 name: xylose derived from xyloglucan derived from hemicellulose def: "Xylose which is derived from xyloglucan derived from hemicellulose." [] is_a: CHEBI:18222 ! xylose intersection_of: CHEBI:18222 ! xylose intersection_of: RO:0001000 CDNO:0100007 ! derives from xyloglucan derived from hemicellulose relationship: RO:0001000 CDNO:0100007 ! derives from xyloglucan derived from hemicellulose [Term] id: CDNO:0100045 name: glucose derived from glucomannan derived from hemicellulose def: "Glucose which is derived from glucomannan derived from hemicellulose." [] is_a: CHEBI:17234 ! glucose intersection_of: CHEBI:17234 ! glucose intersection_of: RO:0001000 CDNO:0100008 ! derives from glucomannan derived from hemicellulose relationship: RO:0001000 CDNO:0100008 ! derives from glucomannan derived from hemicellulose [Term] id: CDNO:0100046 name: mannose derived from glucomannan derived from hemicellulose def: "Mannose which is derived from glucomannan derived from hemicellulose." [] is_a: CHEBI:37684 ! mannose intersection_of: CHEBI:37684 ! mannose intersection_of: RO:0001000 CDNO:0100008 ! derives from glucomannan derived from hemicellulose relationship: RO:0001000 CDNO:0100008 ! derives from glucomannan derived from hemicellulose [Term] id: CDNO:0100047 name: arabinose derived from arabinoxylan derived from hemicellulose def: "Arabinose which is derived from arabinoxylan derived from hemicellulose." [] is_a: CHEBI:22599 ! arabinose intersection_of: CHEBI:22599 ! arabinose intersection_of: RO:0001000 CDNO:0100009 ! derives from arabinoxylan derived from hemicellulose relationship: RO:0001000 CDNO:0100009 ! derives from arabinoxylan derived from hemicellulose [Term] id: CDNO:0100048 name: xylose derived from arabinoxylan derived from hemicellulose def: "Xylose which is derived from arabinoxylan derived from hemicellulose." [] is_a: CHEBI:18222 ! xylose intersection_of: CHEBI:18222 ! xylose intersection_of: RO:0001000 CDNO:0100009 ! derives from arabinoxylan derived from hemicellulose relationship: RO:0001000 CDNO:0100009 ! derives from arabinoxylan derived from hemicellulose [Term] id: CDNO:0100049 name: inulin derived from fructan def: "Inulin which is derived from fructan." [] is_a: CHEBI:15443 ! inulin intersection_of: CHEBI:15443 ! inulin intersection_of: RO:0001000 CHEBI:28796 ! derives from fructan relationship: RO:0001000 CHEBI:28796 ! derives from fructan [Term] id: CDNO:0100050 name: fructose derived from inulin derived from fructan def: "Fructose which is derived from inulin derived from fructan." [] is_a: CHEBI:28757 ! fructose intersection_of: CHEBI:28757 ! fructose intersection_of: RO:0001000 CDNO:0100049 ! derives from inulin derived from fructan relationship: RO:0001000 CDNO:0100049 ! derives from inulin derived from fructan [Term] id: CDNO:0100051 name: amino acid derived from protein def: "Amino acid which is derived from protein." [] is_a: CHEBI:33709 ! amino acid intersection_of: CHEBI:33709 ! amino acid intersection_of: RO:0001000 CHEBI:36080 ! derives from protein relationship: RO:0001000 CHEBI:36080 ! derives from protein [Term] id: CDNO:0200001 name: concentration of dietary chemical component in material entity def: "The concentration of dietary chemical component when measured in some material entity." [] synonym: "material entity dietary chemical component concentration" EXACT [] is_a: PATO:0000033 ! concentration of [Term] id: CDNO:0200002 name: concentration of water in material entity def: "The concentration of water when measured in some material entity." [] synonym: "material entity water concentration" EXACT [] xref: INFOODs: WATER xref: USDA_NDB: 1051 is_a: CDNO:0200001 ! concentration of dietary chemical component in material entity [Term] id: CDNO:0200003 name: concentration of dry plant matter in material entity def: "The concentration of dry plant matter when measured in some material entity." [] synonym: "material entity dry plant matter concentration" EXACT [] xref: INFOODs: DM xref: INFOODs: SOLID xref: INFOODs: SOLO is_a: CDNO:0200001 ! concentration of dietary chemical component in material entity [Term] id: CDNO:0200004 name: concentration of ash in material entity def: "The concentration of ash when measured in some material entity." [] synonym: "material entity ash concentration" EXACT [] xref: INFOODs: ASH xref: USDA_NDB: 1007 is_a: CDNO:0200001 ! concentration of dietary chemical component in material entity [Term] id: CDNO:0200005 name: concentration of carbohydrate in material entity def: "The concentration of carbohydrate when measured in some material entity." [] synonym: "material entity carbohydrate concentration" EXACT [] xref: USDA_NDB: 1005 xref: USDA_NDB: 1050 xref: USDA_NDB: 1072 is_a: CDNO:0200001 ! concentration of dietary chemical component in material entity [Term] id: CDNO:0200006 name: concentration of polysaccharide in material entity def: "The concentration of polysaccharide when measured in some material entity." [] synonym: "material entity polysaccharide concentration" EXACT [] xref: INFOODs: POLYSAC is_a: CDNO:0200005 ! concentration of carbohydrate in material entity [Term] id: CDNO:0200007 name: concentration of starch in material entity def: "The concentration of starch when measured in some material entity." [] synonym: "material entity starch concentration" EXACT [] xref: INFOODs: STARCH xref: INFOODs: STARCH- xref: INFOODs: STARCHM xref: USDA_NDB: 1009 is_a: CDNO:0200006 ! concentration of polysaccharide in material entity is_a: CDNO:0200033 ! concentration of available carbohydrate in material entity [Term] id: CDNO:0200008 name: concentration of pectin in material entity def: "The concentration of pectin when measured in some material entity." [] synonym: "material entity pectin concentration" EXACT [] xref: INFOODs: PECT is_a: CDNO:0200006 ! concentration of polysaccharide in material entity is_a: CDNO:0200036 ! concentration of soluble dietary fibre in material entity [Term] id: CDNO:0200009 name: concentration of cellulose in material entity def: "The concentration of cellulose when measured in some material entity." [] synonym: "material entity cellulose concentration" EXACT [] xref: INFOODs: CELLU is_a: CDNO:0200006 ! concentration of polysaccharide in material entity is_a: CDNO:0200038 ! concentration of insoluble dietary fibre in material entity [Term] id: CDNO:0200010 name: concentration of hemicellulose in material entity def: "The concentration of hemicellulose when measured in some material entity." [] synonym: "material entity hemicellulose concentration" EXACT [] xref: INFOODs: HEMCEL is_a: CDNO:0200006 ! concentration of polysaccharide in material entity is_a: CDNO:0200038 ! concentration of insoluble dietary fibre in material entity [Term] id: CDNO:0200011 name: concentration of inulin in material entity def: "The concentration of inulin when measured in some material entity." [] synonym: "material entity inulin concentration" EXACT [] xref: INFOODs: INULN xref: USDA_NDB: 1403 is_a: CDNO:0200039 ! concentration of fructan in material entity [Term] id: CDNO:0200012 name: concentration of monosaccharide in material entity def: "The concentration of monosaccharide when measured in some material entity." [] synonym: "material entity monosaccharide concentration" EXACT [] xref: INFOODs: MNSAC is_a: CDNO:0200005 ! concentration of carbohydrate in material entity [Term] id: CDNO:0200013 name: concentration of glucose in material entity def: "The concentration of glucose when measured in some material entity." [] synonym: "material entity glucose concentration" EXACT [] xref: INFOODs: GLUFB xref: INFOODs: GLUS xref: USDA_NDB: 1011 is_a: CDNO:0200012 ! concentration of monosaccharide in material entity is_a: CDNO:0200034 ! concentration of free sugar in material entity [Term] id: CDNO:0200014 name: concentration of fructose in material entity def: "The concentration of fructose when measured in some material entity." [] synonym: "material entity fructose concentration" EXACT [] xref: INFOODs: FRUFB xref: INFOODs: FRUS xref: USDA_NDB: 1012 is_a: CDNO:0200012 ! concentration of monosaccharide in material entity is_a: CDNO:0200034 ! concentration of free sugar in material entity [Term] id: CDNO:0200015 name: concentration of rhamnose in material entity def: "The concentration of rhamnose when measured in some material entity." [] synonym: "material entity rhamnose concentration" EXACT [] xref: INFOODs: RHAFB xref: INFOODs: RHAS is_a: CDNO:0200012 ! concentration of monosaccharide in material entity [Term] id: CDNO:0200016 name: concentration of D-apiose in material entity def: "The concentration of D-apiose when measured in some material entity." [] synonym: "material entity D-apiose concentration" EXACT [] is_a: CDNO:0200012 ! concentration of monosaccharide in material entity [Term] id: CDNO:0200017 name: concentration of galacturonic acid in material entity def: "The concentration of galacturonic acid when measured in some material entity." [] synonym: "material entity galacturonic acid concentration" EXACT [] xref: INFOODs: GALAAC is_a: CDNO:0200012 ! concentration of monosaccharide in material entity [Term] id: CDNO:0200018 name: concentration of fucose in material entity def: "The concentration of fucose when measured in some material entity." [] synonym: "material entity fucose concentration" EXACT [] xref: INFOODs: FUCOS is_a: CDNO:0200012 ! concentration of monosaccharide in material entity [Term] id: CDNO:0200019 name: concentration of xylose in material entity def: "The concentration of xylose when measured in some material entity." [] synonym: "material entity xylose concentration" EXACT [] xref: INFOODs: XYLFB is_a: CDNO:0200012 ! concentration of monosaccharide in material entity [Term] id: CDNO:0200020 name: concentration of arabinose in material entity def: "The concentration of arabinose when measured in some material entity." [] synonym: "material entity arabinose concentration" EXACT [] xref: INFOODs: ARAFB xref: INFOODs: ARAS is_a: CDNO:0200012 ! concentration of monosaccharide in material entity [Term] id: CDNO:0200021 name: concentration of galactose in material entity def: "The concentration of galactose when measured in some material entity." [] synonym: "material entity galactose concentration" EXACT [] xref: INFOODs: GALS xref: USDA_NDB: 1075 is_a: CDNO:0200012 ! concentration of monosaccharide in material entity is_a: CDNO:0200034 ! concentration of free sugar in material entity [Term] id: CDNO:0200022 name: concentration of mannose in material entity def: "The concentration of mannose when measured in some material entity." [] synonym: "material entity mannose concentration" EXACT [] xref: INFOODs: MANFB xref: INFOODs: MANS is_a: CDNO:0200012 ! concentration of monosaccharide in material entity [Term] id: CDNO:0200023 name: concentration of ribose in material entity def: "The concentration of ribose when measured in some material entity." [] synonym: "material entity ribose concentration" EXACT [] xref: INFOODs: RIBS xref: USDA_NDB: 1081 is_a: CDNO:0200012 ! concentration of monosaccharide in material entity [Term] id: CDNO:0200024 name: concentration of disaccharide in material entity def: "The concentration of disaccharide when measured in some material entity." [] synonym: "material entity disaccharide concentration" EXACT [] xref: INFOODs: DISAC is_a: CDNO:0200005 ! concentration of carbohydrate in material entity [Term] id: CDNO:0200025 name: concentration of sucrose in material entity def: "The concentration of sucrose when measured in some material entity." [] synonym: "material entity sucrose concentration" EXACT [] xref: INFOODs: SUCS xref: USDA_NDB: 1010 is_a: CDNO:0200024 ! concentration of disaccharide in material entity is_a: CDNO:0200034 ! concentration of free sugar in material entity [Term] id: CDNO:0200026 name: concentration of trehalose in material entity def: "The concentration of trehalose when measured in some material entity." [] synonym: "material entity trehalose concentration" EXACT [] xref: INFOODs: TRES is_a: CDNO:0200024 ! concentration of disaccharide in material entity [Term] id: CDNO:0200027 name: concentration of maltose in material entity def: "The concentration of maltose when measured in some material entity." [] synonym: "material entity maltose concentration" EXACT [] xref: INFOODs: MALS xref: USDA_NDB: 1014 is_a: CDNO:0200024 ! concentration of disaccharide in material entity is_a: CDNO:0200028 ! concentration of oligosaccharide in material entity is_a: CDNO:0200034 ! concentration of free sugar in material entity [Term] id: CDNO:0200028 name: concentration of oligosaccharide in material entity def: "The concentration of oligosaccharide when measured in some material entity." [] synonym: "material entity oligosaccharide concentration" EXACT [] xref: INFOODs: OLSAC xref: INFOODs: OLSACM is_a: CDNO:0200005 ! concentration of carbohydrate in material entity [Term] id: CDNO:0200029 name: concentration of raffinose family oligosaccharide in material entity def: "The concentration of raffinose family oligosaccharide when measured in some material entity." [] synonym: "material entity raffinose family oligosaccharide concentration" EXACT [] xref: INFOODs: RAFS is_a: CDNO:0200028 ! concentration of oligosaccharide in material entity is_a: CDNO:0200036 ! concentration of soluble dietary fibre in material entity [Term] id: CDNO:0200030 name: concentration of raffinose in material entity def: "The concentration of raffinose when measured in some material entity." [] synonym: "material entity raffinose concentration" EXACT [] xref: INFOODs: RAFS is_a: CDNO:0200029 ! concentration of raffinose family oligosaccharide in material entity [Term] id: CDNO:0200031 name: concentration of stachyose in material entity def: "The concentration of stachyose when measured in some material entity." [] synonym: "material entity stachyose concentration" EXACT [] xref: INFOODs: STAS xref: INFOODs: STASM is_a: CDNO:0200029 ! concentration of raffinose family oligosaccharide in material entity [Term] id: CDNO:0200032 name: concentration of verbascose in material entity def: "The concentration of verbascose when measured in some material entity." [] synonym: "material entity verbascose concentration" EXACT [] xref: INFOODs: VERS xref: INFOODs: VERSM is_a: CDNO:0200029 ! concentration of raffinose family oligosaccharide in material entity [Term] id: CDNO:0200033 name: concentration of available carbohydrate in material entity def: "The concentration of available carbohydrate when measured in some material entity." [] synonym: "material entity available carbohydrate concentration" EXACT [] xref: INFOODs: CHOAVL xref: INFOODs: CHOAVL- xref: INFOODs: CHOAVLDF xref: INFOODs: CHOAVLM xref: INFOODs: CHOAVLO xref: USDA_NDB: 1005 is_a: CDNO:0200005 ! concentration of carbohydrate in material entity [Term] id: CDNO:0200034 name: concentration of free sugar in material entity def: "The concentration of free sugar when measured in some material entity." [] synonym: "material entity free sugar concentration" EXACT [] xref: INFOODs: SUGAR xref: INFOODs: SUGAR- xref: INFOODs: SUGARM xref: USDA_NDB: 1063 xref: USDA_NDB: 1235 xref: USDA_NDB: 2000 is_a: CDNO:0200033 ! concentration of available carbohydrate in material entity [Term] id: CDNO:0200035 name: concentration of dietary fibre in material entity def: "The concentration of dietary fibre when measured in some material entity." [] synonym: "material entity dietary fibre concentration" EXACT [] xref: INFOODs: FIB- xref: INFOODs: FIBC xref: INFOODs: FIBDF xref: INFOODs: FIBTGLC xref: USDA_NDB: 2033 is_a: CDNO:0200005 ! concentration of carbohydrate in material entity [Term] id: CDNO:0200036 name: concentration of soluble dietary fibre in material entity def: "The concentration of soluble dietary fibre when measured in some material entity." [] synonym: "material entity soluble dietary fibre concentration" EXACT [] xref: INFOODs: FIBGLCSSOL xref: INFOODs: PSACNSS xref: USDA_NDB: 1082 is_a: CDNO:0200035 ! concentration of dietary fibre in material entity [Term] id: CDNO:0200037 name: concentration of resistant starch in material entity def: "The concentration of resistant starch when measured in some material entity." [] synonym: "material entity resistant starch concentration" EXACT [] xref: INFOODs: STARES xref: INFOODs: STARES1 xref: INFOODs: STARES2 xref: INFOODs: STARES3 xref: INFOODs: STARES4 xref: USDA_NDB: 1009 is_a: CDNO:0200036 ! concentration of soluble dietary fibre in material entity [Term] id: CDNO:0200038 name: concentration of insoluble dietary fibre in material entity def: "The concentration of insoluble dietary fibre when measured in some material entity." [] synonym: "material entity insoluble dietary fibre concentration" EXACT [] xref: INFOODs: FIBGLCSINS xref: INFOODs: FIBGLCSINSOL xref: INFOODs: FIBINS xref: INFOODs: FIBTGLCS xref: INFOODs:FIBC xref: USDA_NDB: 1084 is_a: CDNO:0200035 ! concentration of dietary fibre in material entity [Term] id: CDNO:0200039 name: concentration of fructan in material entity def: "The concentration of fructan when measured in some material entity." [] synonym: "material entity fructan concentration" EXACT [] xref: INFOODs: FRUTN xref: INFOODs: FRUTNM is_a: CDNO:0200006 ! concentration of polysaccharide in material entity is_a: CDNO:0200038 ! concentration of insoluble dietary fibre in material entity [Term] id: CDNO:0200040 name: concentration of protein in material entity def: "The concentration of protein when measured in some material entity." [] synonym: "material entity protein concentration" EXACT [] xref: INFOODs: PROT- xref: USDA_NDB: 1003 is_a: CDNO:0200001 ! concentration of dietary chemical component in material entity [Term] id: CDNO:0200041 name: concentration of seed storage protein in material entity def: "The concentration of seed storage protein when measured in some material entity." [] synonym: "material entity seed storage protein concentration" EXACT [] xref: INFOODs: PROTA xref: INFOODs: PROTPL xref: USDA_NDB: 1003 is_a: CDNO:0200040 ! concentration of protein in material entity [Term] id: CDNO:0200042 name: concentration of albumin type in material entity def: "The concentration of albumin type when measured in some material entity." [] synonym: "material entity albumin type concentration" EXACT [] xref: INFOODs: ALBU is_a: CDNO:0200041 ! concentration of seed storage protein in material entity [Term] id: CDNO:0200043 name: concentration of globulin type in material entity def: "The concentration of globulin type when measured in some material entity." [] synonym: "material entity globulin type concentration" EXACT [] xref: INFOODs: GLOB is_a: CDNO:0200041 ! concentration of seed storage protein in material entity [Term] id: CDNO:0200044 name: concentration of prolamin in material entity def: "The concentration of prolamin when measured in some material entity." [] synonym: "material entity prolamin concentration" EXACT [] is_a: CDNO:0200043 ! concentration of globulin type in material entity [Term] id: CDNO:0200045 name: concentration of cruciferin in material entity def: "The concentration of cruciferin when measured in some material entity." [] synonym: "material entity cruciferin concentration" EXACT [] is_a: CDNO:0200043 ! concentration of globulin type in material entity [Term] id: CDNO:0200046 name: concentration of glutenin in material entity def: "The concentration of glutenin when measured in some material entity." [] synonym: "material entity glutenin concentration" EXACT [] xref: INFOODs: GLUTN is_a: CDNO:0200043 ! concentration of globulin type in material entity [Term] id: CDNO:0200047 name: concentration of alanine in material entity def: "The concentration of alanine when measured in some material entity." [] synonym: "material entity alanine concentration" EXACT [] xref: INFOODs: ALA xref: USDA_NDB: 1222 is_a: CDNO:0200464 ! concentration of amino acid in material entity [Term] id: CDNO:0200048 name: concentration of arginine in material entity def: "The concentration of arginine when measured in some material entity." [] synonym: "material entity arginine concentration" EXACT [] xref: INFOODs: ARG xref: USDA_NDB: 1220 is_a: CDNO:0200464 ! concentration of amino acid in material entity [Term] id: CDNO:0200049 name: concentration of asparagine in material entity def: "The concentration of asparagine when measured in some material entity." [] synonym: "material entity asparagine concentration" EXACT [] xref: INFOODs: ASN is_a: CDNO:0200464 ! concentration of amino acid in material entity [Term] id: CDNO:0200050 name: concentration of aspartic acid in material entity def: "The concentration of aspartic acid when measured in some material entity." [] synonym: "material entity aspartic acid concentration" EXACT [] xref: INFOODs: ASP xref: USDA_NDB: 1223 is_a: CDNO:0200464 ! concentration of amino acid in material entity [Term] id: CDNO:0200051 name: concentration of cysteine in material entity def: "The concentration of cysteine when measured in some material entity." [] synonym: "material entity cysteine concentration" EXACT [] xref: INFOODs: CYSTE xref: USDA_NDB: 1232 is_a: CDNO:0200464 ! concentration of amino acid in material entity is_a: CDNO:0200627 ! concentration of organosulfur compound in material entity [Term] id: CDNO:0200052 name: concentration of glutamic acid in material entity def: "The concentration of glutamic acid when measured in some material entity." [] synonym: "material entity glutamic acid concentration" EXACT [] xref: INFOODs: GLU xref: USDA_NDB: 1224 is_a: CDNO:0200464 ! concentration of amino acid in material entity [Term] id: CDNO:0200053 name: concentration of glutamine in material entity def: "The concentration of glutamine when measured in some material entity." [] synonym: "material entity glutamine concentration" EXACT [] xref: INFOODs: GLN xref: USDA_NDB: 1233 is_a: CDNO:0200464 ! concentration of amino acid in material entity [Term] id: CDNO:0200054 name: concentration of glycine in material entity def: "The concentration of glycine when measured in some material entity." [] synonym: "material entity glycine concentration" EXACT [] xref: INFOODs: GLY xref: USDA_NDB: 1225 is_a: CDNO:0200464 ! concentration of amino acid in material entity [Term] id: CDNO:0200055 name: concentration of histidine in material entity def: "The concentration of histidine when measured in some material entity." [] synonym: "material entity histidine concentration" EXACT [] xref: INFOODs: HIS xref: USDA_NDB: 1221 is_a: CDNO:0200464 ! concentration of amino acid in material entity [Term] id: CDNO:0200056 name: concentration of hydroxyproline in material entity def: "The concentration of hydroxyproline when measured in some material entity." [] synonym: "material entity hydroxyproline concentration" EXACT [] xref: INFOODs: HYP xref: USDA_NDB: 1228 is_a: CDNO:0200464 ! concentration of amino acid in material entity [Term] id: CDNO:0200057 name: concentration of isoleucine in material entity def: "The concentration of isoleucine when measured in some material entity." [] synonym: "material entity isoleucine concentration" EXACT [] xref: INFOODs: ILE xref: USDA_NDB: 1212 is_a: CDNO:0200464 ! concentration of amino acid in material entity [Term] id: CDNO:0200058 name: concentration of leucine in material entity def: "The concentration of leucine when measured in some material entity." [] synonym: "material entity leucine concentration" EXACT [] xref: INFOODs: LEU xref: USDA_NDB: 1213 is_a: CDNO:0200464 ! concentration of amino acid in material entity [Term] id: CDNO:0200059 name: concentration of lysine in material entity def: "The concentration of lysine when measured in some material entity." [] synonym: "material entity lysine concentration" EXACT [] xref: INFOODs: LYS xref: USDA_NDB: 1214 is_a: CDNO:0200464 ! concentration of amino acid in material entity [Term] id: CDNO:0200060 name: concentration of methionine in material entity def: "The concentration of methionine when measured in some material entity." [] synonym: "material entity methionine concentration" EXACT [] xref: INFOODs: MET xref: USDA_NDB: 1215 is_a: CDNO:0200464 ! concentration of amino acid in material entity is_a: CDNO:0200627 ! concentration of organosulfur compound in material entity [Term] id: CDNO:0200061 name: concentration of phenylalanine in material entity def: "The concentration of phenylalanine when measured in some material entity." [] synonym: "material entity phenylalanine concentration" EXACT [] xref: INFOODs: PHE xref: USDA_NDB: 1217 is_a: CDNO:0200464 ! concentration of amino acid in material entity [Term] id: CDNO:0200062 name: concentration of proline in material entity def: "The concentration of proline when measured in some material entity." [] synonym: "material entity proline concentration" EXACT [] xref: INFOODs: PRO xref: USDA_NDB: 1226 is_a: CDNO:0200464 ! concentration of amino acid in material entity [Term] id: CDNO:0200063 name: concentration of serine in material entity def: "The concentration of serine when measured in some material entity." [] synonym: "material entity serine concentration" EXACT [] xref: INFOODs: SER xref: USDA_NDB: 1227 is_a: CDNO:0200464 ! concentration of amino acid in material entity [Term] id: CDNO:0200064 name: concentration of threonine in material entity def: "The concentration of threonine when measured in some material entity." [] synonym: "material entity threonine concentration" EXACT [] xref: INFOODs: THR xref: USDA_NDB: 1211 is_a: CDNO:0200464 ! concentration of amino acid in material entity [Term] id: CDNO:0200065 name: concentration of tryptophan in material entity def: "The concentration of tryptophan when measured in some material entity." [] synonym: "material entity tryptophan concentration" EXACT [] xref: INFOODs: TRP xref: USDA_NDB: 1210 is_a: CDNO:0200464 ! concentration of amino acid in material entity [Term] id: CDNO:0200066 name: concentration of tyrosine in material entity def: "The concentration of tyrosine when measured in some material entity." [] synonym: "material entity tyrosine concentration" EXACT [] xref: INFOODs: TYR xref: USDA_NDB: 1218 is_a: CDNO:0200464 ! concentration of amino acid in material entity [Term] id: CDNO:0200067 name: concentration of valine in material entity def: "The concentration of valine when measured in some material entity." [] synonym: "material entity valine concentration" EXACT [] xref: INFOODs: VAL xref: USDA_NDB: 1219 is_a: CDNO:0200464 ! concentration of amino acid in material entity [Term] id: CDNO:0200068 name: concentration of lipid in material entity def: "The concentration of lipid when measured in some material entity." [] synonym: "material entity lipid concentration" EXACT [] xref: INFOODs: FATPL xref: USDA_NDB: 1004 is_a: CDNO:0200001 ! concentration of dietary chemical component in material entity [Term] id: CDNO:0200069 name: concentration of diglyceride in material entity def: "The concentration of diglyceride when measured in some material entity." [] synonym: "material entity diglyceride concentration" EXACT [] xref: INFOODs: DGLY is_a: CDNO:0200068 ! concentration of lipid in material entity [Term] id: CDNO:0200070 name: concentration of cis-fatty acid in material entity def: "The concentration of cis-fatty acid when measured in some material entity." [] synonym: "material entity cis-fatty acid concentration" EXACT [] xref: INFOODs: FACIS is_a: CDNO:0200465 ! concentration of fatty acid in material entity [Term] id: CDNO:0200071 name: concentration of octanoic acid in material entity def: "The concentration of octanoic acid when measured in some material entity." [] synonym: "material entity octanoic acid concentration" EXACT [] is_a: CDNO:0200458 ! concentration of saturated fatty acid in material entity [Term] id: CDNO:0200072 name: concentration of pentadecanoic acid in material entity def: "The concentration of pentadecanoic acid when measured in some material entity." [] synonym: "material entity pentadecanoic acid concentration" EXACT [] is_a: CDNO:0200458 ! concentration of saturated fatty acid in material entity [Term] id: CDNO:0200073 name: concentration of tetracosanoic acid in material entity def: "The concentration of tetracosanoic acid when measured in some material entity." [] synonym: "material entity tetracosanoic acid concentration" EXACT [] is_a: CDNO:0200458 ! concentration of saturated fatty acid in material entity [Term] id: CDNO:0200074 name: concentration of dodecanoic acid in material entity def: "The concentration of dodecanoic acid when measured in some material entity." [] synonym: "material entity dodecanoic acid concentration" EXACT [] is_a: CDNO:0200458 ! concentration of saturated fatty acid in material entity [Term] id: CDNO:0200075 name: concentration of tetradecanoic acid in material entity def: "The concentration of tetradecanoic acid when measured in some material entity." [] synonym: "material entity tetradecanoic acid concentration" EXACT [] is_a: CDNO:0200458 ! concentration of saturated fatty acid in material entity [Term] id: CDNO:0200076 name: concentration of hexadecanoic acid in material entity def: "The concentration of hexadecanoic acid when measured in some material entity." [] synonym: "material entity hexadecanoic acid concentration" EXACT [] is_a: CDNO:0200458 ! concentration of saturated fatty acid in material entity [Term] id: CDNO:0200077 name: concentration of heptadecanoic acid in material entity def: "The concentration of heptadecanoic acid when measured in some material entity." [] synonym: "material entity heptadecanoic acid concentration" EXACT [] is_a: CDNO:0200458 ! concentration of saturated fatty acid in material entity [Term] id: CDNO:0200078 name: concentration of octadecanoic acid in material entity def: "The concentration of octadecanoic acid when measured in some material entity." [] synonym: "material entity octadecanoic acid concentration" EXACT [] is_a: CDNO:0200458 ! concentration of saturated fatty acid in material entity [Term] id: CDNO:0200079 name: concentration of icosanoic acid in material entity def: "The concentration of icosanoic acid when measured in some material entity." [] synonym: "material entity icosanoic acid concentration" EXACT [] is_a: CDNO:0200458 ! concentration of saturated fatty acid in material entity [Term] id: CDNO:0200080 name: concentration of docosanoic acid in material entity def: "The concentration of docosanoic acid when measured in some material entity." [] synonym: "material entity docosanoic acid concentration" EXACT [] is_a: CDNO:0200458 ! concentration of saturated fatty acid in material entity [Term] id: CDNO:0200082 name: concentration of propionic acid in material entity def: "The concentration of propionic acid when measured in some material entity." [] synonym: "material entity propionic acid concentration" EXACT [] xref: INFOODs: PROPAC is_a: CDNO:0200458 ! concentration of saturated fatty acid in material entity [Term] id: CDNO:0200083 name: concentration of myristoleic acid in material entity def: "The concentration of myristoleic acid when measured in some material entity." [] synonym: "material entity myristoleic acid concentration" EXACT [] is_a: CDNO:0200456 ! concentration of monounsaturated fatty acid in material entity [Term] id: CDNO:0200084 name: concentration of palmitoleic acid in material entity def: "The concentration of palmitoleic acid when measured in some material entity." [] synonym: "material entity palmitoleic acid concentration" EXACT [] is_a: CDNO:0200456 ! concentration of monounsaturated fatty acid in material entity [Term] id: CDNO:0200085 name: concentration of oleic acid in material entity def: "The concentration of oleic acid when measured in some material entity." [] synonym: "material entity oleic acid concentration" EXACT [] is_a: CDNO:0200456 ! concentration of monounsaturated fatty acid in material entity [Term] id: CDNO:0200086 name: concentration of palmitelaidic acid in material entity def: "The concentration of palmitelaidic acid when measured in some material entity." [] synonym: "material entity palmitelaidic acid concentration" EXACT [] is_a: CDNO:0200456 ! concentration of monounsaturated fatty acid in material entity [Term] id: CDNO:0200087 name: concentration of elaidic acid in material entity def: "The concentration of elaidic acid when measured in some material entity." [] synonym: "material entity elaidic acid concentration" EXACT [] is_a: CDNO:0200456 ! concentration of monounsaturated fatty acid in material entity [Term] id: CDNO:0200088 name: concentration of vaccenic acid in material entity def: "The concentration of vaccenic acid when measured in some material entity." [] synonym: "material entity vaccenic acid concentration" EXACT [] is_a: CDNO:0200456 ! concentration of monounsaturated fatty acid in material entity [Term] id: CDNO:0200089 name: concentration of (11Z)-icos-11-enoic acid in material entity def: "The concentration of (11Z)-icos-11-enoic acid when measured in some material entity." [] synonym: "material entity (11Z)-icos-11-enoic acid concentration" EXACT [] is_a: CDNO:0200456 ! concentration of monounsaturated fatty acid in material entity [Term] id: CDNO:0200090 name: concentration of erucic acid in material entity def: "The concentration of erucic acid when measured in some material entity." [] synonym: "material entity erucic acid concentration" EXACT [] is_a: CDNO:0200456 ! concentration of monounsaturated fatty acid in material entity [Term] id: CDNO:0200091 name: concentration of (15Z)-tetracosenoic acid in material entity def: "The concentration of (15Z)-tetracosenoic acid when measured in some material entity." [] synonym: "material entity (15Z)-tetracosenoic acid concentration" EXACT [] is_a: CDNO:0200456 ! concentration of monounsaturated fatty acid in material entity [Term] id: CDNO:0200092 name: concentration of œâ‚àí3 fatty acid in material entity def: "The concentration of œâ‚àí3 fatty acid when measured in some material entity." [] synonym: "material entity œâ‚àí3 fatty acid concentration" EXACT [] is_a: CDNO:0200449 ! concentration of polyunsaturated fatty acid in material entity [Term] id: CDNO:0200093 name: concentration of all-cis-octadeca-6,9,12,15-tetraenoic acid in material entity def: "The concentration of all-cis-octadeca-6,9,12,15-tetraenoic acid when measured in some material entity." [] synonym: "material entity all-cis-octadeca-6,9,12,15-tetraenoic acid concentration" EXACT [] is_a: CDNO:0200092 ! concentration of œâ‚àí3 fatty acid in material entity [Term] id: CDNO:0200094 name: concentration of all-cis-icosa-11,14,17-trienoic acid in material entity def: "The concentration of all-cis-icosa-11,14,17-trienoic acid when measured in some material entity." [] synonym: "material entity all-cis-icosa-11,14,17-trienoic acid concentration" EXACT [] is_a: CDNO:0200092 ! concentration of œâ‚àí3 fatty acid in material entity [Term] id: CDNO:0200095 name: concentration of eicosatetraenoic acid in material entity def: "The concentration of eicosatetraenoic acid when measured in some material entity." [] synonym: "material entity eicosatetraenoic acid concentration" EXACT [] is_a: CDNO:0200092 ! concentration of œâ‚àí3 fatty acid in material entity [Term] id: CDNO:0200096 name: concentration of 6Z,9Z,12Z,15Z,18Z,21Z-tetracosahexaenoic acid in material entity def: "The concentration of 6Z,9Z,12Z,15Z,18Z,21Z-tetracosahexaenoic acid when measured in some material entity." [] synonym: "material entity 6Z,9Z,12Z,15Z,18Z,21Z-tetracosahexaenoic acid concentration" EXACT [] is_a: CDNO:0200092 ! concentration of œâ‚àí3 fatty acid in material entity [Term] id: CDNO:0200097 name: concentration of Œ±-linolenic acid in material entity def: "The concentration of Œ±-linolenic acid when measured in some material entity." [] synonym: "material entity Œ±-linolenic acid concentration" EXACT [] is_a: CDNO:0200092 ! concentration of œâ‚àí3 fatty acid in material entity [Term] id: CDNO:0200098 name: concentration of icosapentaenoic acid in material entity def: "The concentration of icosapentaenoic acid when measured in some material entity." [] synonym: "material entity icosapentaenoic acid concentration" EXACT [] is_a: CDNO:0200092 ! concentration of œâ‚àí3 fatty acid in material entity [Term] id: CDNO:0200099 name: concentration of docosapentaenoic acid in material entity def: "The concentration of docosapentaenoic acid when measured in some material entity." [] synonym: "material entity docosapentaenoic acid concentration" EXACT [] is_a: CDNO:0200092 ! concentration of œâ‚àí3 fatty acid in material entity [Term] id: CDNO:0200100 name: concentration of docosahexaenoic acid in material entity def: "The concentration of docosahexaenoic acid when measured in some material entity." [] synonym: "material entity docosahexaenoic acid concentration" EXACT [] is_a: CDNO:0200092 ! concentration of œâ‚àí3 fatty acid in material entity [Term] id: CDNO:0200101 name: concentration of 9-hydroxy-5E,7Z,11Z,14Z-eicosatetraenoic acid in material entity def: "The concentration of 9-hydroxy-5E,7Z,11Z,14Z-eicosatetraenoic acid when measured in some material entity." [] synonym: "material entity 9-hydroxy-5E,7Z,11Z,14Z-eicosatetraenoic acid concentration" EXACT [] is_a: CDNO:0200092 ! concentration of œâ‚àí3 fatty acid in material entity [Term] id: CDNO:0200102 name: concentration of linolenic acid in material entity def: "The concentration of linolenic acid when measured in some material entity." [] synonym: "material entity linolenic acid concentration" EXACT [] is_a: CDNO:0200092 ! concentration of œâ‚àí3 fatty acid in material entity [Term] id: CDNO:0200103 name: concentration of œâ‚àí6 fatty acid in material entity def: "The concentration of œâ‚àí6 fatty acid when measured in some material entity." [] synonym: "material entity œâ‚àí6 fatty acid concentration" EXACT [] is_a: CDNO:0200449 ! concentration of polyunsaturated fatty acid in material entity [Term] id: CDNO:0200104 name: concentration of linoleic acid in material entity def: "The concentration of linoleic acid when measured in some material entity." [] synonym: "material entity linoleic acid concentration" EXACT [] is_a: CDNO:0200103 ! concentration of œâ‚àí6 fatty acid in material entity [Term] id: CDNO:0200105 name: concentration of all-cis-icosa-8,11,14-trienoic acid in material entity def: "The concentration of all-cis-icosa-8,11,14-trienoic acid when measured in some material entity." [] synonym: "material entity all-cis-icosa-8,11,14-trienoic acid concentration" EXACT [] is_a: CDNO:0200103 ! concentration of œâ‚àí6 fatty acid in material entity [Term] id: CDNO:0200106 name: concentration of Œ≥-linolenic acid in material entity def: "The concentration of Œ≥-linolenic acid when measured in some material entity." [] synonym: "material entity Œ≥-linolenic acid concentration" EXACT [] is_a: CDNO:0200103 ! concentration of œâ‚àí6 fatty acid in material entity [Term] id: CDNO:0200107 name: concentration of icosadienoic acid in material entity def: "The concentration of icosadienoic acid when measured in some material entity." [] synonym: "material entity icosadienoic acid concentration" EXACT [] is_a: CDNO:0200103 ! concentration of œâ‚àí6 fatty acid in material entity [Term] id: CDNO:0200108 name: concentration of arachidonic acid in material entity def: "The concentration of arachidonic acid when measured in some material entity." [] synonym: "material entity arachidonic acid concentration" EXACT [] is_a: CDNO:0200103 ! concentration of œâ‚àí6 fatty acid in material entity [Term] id: CDNO:0200109 name: concentration of docosadienoic acid in material entity def: "The concentration of docosadienoic acid when measured in some material entity." [] synonym: "material entity docosadienoic acid concentration" EXACT [] is_a: CDNO:0200103 ! concentration of œâ‚àí6 fatty acid in material entity [Term] id: CDNO:0200110 name: concentration of 7,10,13,16-docosatetraenoic acid in material entity def: "The concentration of 7,10,13,16-docosatetraenoic acid when measured in some material entity." [] synonym: "material entity 7,10,13,16-docosatetraenoic acid concentration" EXACT [] is_a: CDNO:0200103 ! concentration of œâ‚àí6 fatty acid in material entity [Term] id: CDNO:0200111 name: concentration of trans-fatty acid in material entity def: "The concentration of trans-fatty acid when measured in some material entity." [] synonym: "material entity trans-fatty acid concentration" EXACT [] xref: INFOODs: FATRN xref: USDA_NDB: 1257 is_a: CDNO:0200465 ! concentration of fatty acid in material entity [Term] id: CDNO:0200112 name: concentration of capsaicin in material entity def: "The concentration of capsaicin when measured in some material entity." [] synonym: "material entity capsaicin concentration" EXACT [] xref: INFOODs: CAPSA is_a: CDNO:0200068 ! concentration of lipid in material entity [Term] id: CDNO:0200113 name: concentration of phospholipid in material entity def: "The concentration of phospholipid when measured in some material entity." [] synonym: "material entity phospholipid concentration" EXACT [] xref: INFOODs: PHOLIP is_a: CDNO:0200068 ! concentration of lipid in material entity [Term] id: CDNO:0200114 name: concentration of phosphatidylcholine in material entity def: "The concentration of phosphatidylcholine when measured in some material entity." [] synonym: "material entity phosphatidylcholine concentration" EXACT [] xref: INFOODs: CHLNP is_a: CDNO:0200113 ! concentration of phospholipid in material entity is_a: CDNO:0200585 ! concentration of organic phosphate compound in material entity [Term] id: CDNO:0200115 name: concentration of phosphatidylethanolamine in material entity def: "The concentration of phosphatidylethanolamine when measured in some material entity." [] synonym: "material entity phosphatidylethanolamine concentration" EXACT [] xref: INFOODs: PHOETHN is_a: CDNO:0200113 ! concentration of phospholipid in material entity is_a: CDNO:0200585 ! concentration of organic phosphate compound in material entity [Term] id: CDNO:0200116 name: concentration of phosphatidyl-L-serine in material entity def: "The concentration of phosphatidyl-L-serine when measured in some material entity." [] synonym: "material entity phosphatidyl-L-serine concentration" EXACT [] xref: INFOODs: PHOSER is_a: CDNO:0200113 ! concentration of phospholipid in material entity [Term] id: CDNO:0200117 name: concentration of phosphatidylinositol in material entity def: "The concentration of phosphatidylinositol when measured in some material entity." [] synonym: "material entity phosphatidylinositol concentration" EXACT [] xref: INFOODs: PHOINOTL is_a: CDNO:0200113 ! concentration of phospholipid in material entity is_a: CDNO:0200585 ! concentration of organic phosphate compound in material entity [Term] id: CDNO:0200118 name: concentration of lysophosphatidylcholine in material entity def: "The concentration of lysophosphatidylcholine when measured in some material entity." [] synonym: "material entity lysophosphatidylcholine concentration" EXACT [] is_a: CDNO:0200113 ! concentration of phospholipid in material entity is_a: CDNO:0200585 ! concentration of organic phosphate compound in material entity [Term] id: CDNO:0200119 name: concentration of glycolipid in material entity def: "The concentration of glycolipid when measured in some material entity." [] synonym: "material entity glycolipid concentration" EXACT [] xref: INFOODs: GLYLIP is_a: CDNO:0200068 ! concentration of lipid in material entity [Term] id: CDNO:0200120 name: concentration of glycoglycerolipid in material entity def: "The concentration of glycoglycerolipid when measured in some material entity." [] synonym: "material entity glycoglycerolipid concentration" EXACT [] is_a: CDNO:0200119 ! concentration of glycolipid in material entity [Term] id: CDNO:0200121 name: concentration of sterol in material entity def: "The concentration of sterol when measured in some material entity." [] synonym: "material entity sterol concentration" EXACT [] xref: INFOODs: STEOTH xref: INFOODs: STERFRE xref: INFOODs: STERT is_a: CDNO:0200068 ! concentration of lipid in material entity [Term] id: CDNO:0200122 name: concentration of campestanol in material entity def: "The concentration of campestanol when measured in some material entity." [] synonym: "material entity campestanol concentration" EXACT [] xref: USDA_NDB: 1289 is_a: CDNO:0200121 ! concentration of sterol in material entity [Term] id: CDNO:0200123 name: concentration of cholesterol in material entity def: "The concentration of cholesterol when measured in some material entity." [] synonym: "material entity cholesterol concentration" EXACT [] xref: INFOODs: CHOLEST xref: USDA_NDB: 1253 is_a: CDNO:0200121 ! concentration of sterol in material entity [Term] id: CDNO:0200124 name: concentration of lupeol in material entity def: "The concentration of lupeol when measured in some material entity." [] synonym: "material entity lupeol concentration" EXACT [] is_a: CDNO:0200121 ! concentration of sterol in material entity [Term] id: CDNO:0200125 name: concentration of phytosterol in material entity def: "The concentration of phytosterol when measured in some material entity." [] synonym: "material entity phytosterol concentration" EXACT [] xref: INFOODs: PHYSTR xref: USDA_NDB: 1283 is_a: CDNO:0200121 ! concentration of sterol in material entity [Term] id: CDNO:0200126 name: concentration of avenasterol in material entity def: "The concentration of avenasterol when measured in some material entity." [] synonym: "material entity avenasterol concentration" EXACT [] xref: INFOODs: AVEDT is_a: CDNO:0200125 ! concentration of phytosterol in material entity [Term] id: CDNO:0200127 name: concentration of isofucosterol in material entity def: "The concentration of isofucosterol when measured in some material entity." [] synonym: "material entity isofucosterol concentration" EXACT [] xref: INFOODs: AVED5 xref: USDA_NDB: 1296 is_a: CDNO:0200126 ! concentration of avenasterol in material entity [Term] id: CDNO:0200128 name: concentration of delta7-avenasterol in material entity def: "The concentration of delta7-avenasterol when measured in some material entity." [] synonym: "material entity delta7-avenasterol concentration" EXACT [] xref: INFOODs: AVED7 is_a: CDNO:0200126 ! concentration of avenasterol in material entity [Term] id: CDNO:0200129 name: concentration of brassicasterol in material entity def: "The concentration of brassicasterol when measured in some material entity." [] synonym: "material entity brassicasterol concentration" EXACT [] xref: INFOODs: BRASTR xref: USDA_NDB: 1287 is_a: CDNO:0200125 ! concentration of phytosterol in material entity [Term] id: CDNO:0200130 name: concentration of campesterol in material entity def: "The concentration of campesterol when measured in some material entity." [] synonym: "material entity campesterol concentration" EXACT [] xref: INFOODs: CAMT xref: USDA_NDB: 1286 is_a: CDNO:0200125 ! concentration of phytosterol in material entity [Term] id: CDNO:0200131 name: concentration of ergosterol in material entity def: "The concentration of ergosterol when measured in some material entity." [] synonym: "material entity ergosterol concentration" EXACT [] xref: INFOODs: ERGSTR is_a: CDNO:0200125 ! concentration of phytosterol in material entity [Term] id: CDNO:0200132 name: concentration of sitosterol in material entity def: "The concentration of sitosterol when measured in some material entity." [] synonym: "material entity sitosterol concentration" EXACT [] xref: INFOODs: SITSTR is_a: CDNO:0200125 ! concentration of phytosterol in material entity [Term] id: CDNO:0200133 name: concentration of stigmastanol in material entity def: "The concentration of stigmastanol when measured in some material entity." [] synonym: "material entity stigmastanol concentration" EXACT [] is_a: CDNO:0200125 ! concentration of phytosterol in material entity [Term] id: CDNO:0200134 name: concentration of stigmasterol in material entity def: "The concentration of stigmasterol when measured in some material entity." [] synonym: "material entity stigmasterol concentration" EXACT [] xref: INFOODs: STGSTR xref: USDA_NDB: 1285 is_a: CDNO:0200125 ! concentration of phytosterol in material entity [Term] id: CDNO:0200135 name: concentration of delta7-stigmasterol in material entity def: "The concentration of delta7-stigmasterol when measured in some material entity." [] synonym: "material entity delta7-stigmasterol concentration" EXACT [] xref: INFOODs: STID7 is_a: CDNO:0200134 ! concentration of stigmasterol in material entity [Term] id: CDNO:0200136 name: concentration of mineral nutrient in material entity def: "The concentration of mineral nutrient when measured in some material entity." [] synonym: "material entity mineral nutrient concentration" EXACT [] is_a: CDNO:0200001 ! concentration of dietary chemical component in material entity [Term] id: CDNO:0200137 name: concentration of macro element in material entity def: "The concentration of macro element when measured in some material entity." [] synonym: "material entity macro element concentration" EXACT [] is_a: CDNO:0200136 ! concentration of mineral nutrient in material entity [Term] id: CDNO:0200138 name: concentration of calcium(2+) in material entity def: "The concentration of calcium(2+) when measured in some material entity." [] synonym: "material entity calcium(2+) concentration" EXACT [] xref: INFOODs: CA xref: USDA_NDB: 1087 is_a: CDNO:0200544 ! concentration of dietary calcium in material entity [Term] id: CDNO:0200139 name: concentration of chloride in material entity def: "The concentration of chloride when measured in some material entity." [] synonym: "material entity chloride concentration" EXACT [] xref: INFOODs: CLD is_a: CDNO:0200559 ! concentration of dietary chlorine in material entity [Term] id: CDNO:0200140 name: concentration of magnesium(2+) in material entity def: "The concentration of magnesium(2+) when measured in some material entity." [] synonym: "material entity magnesium(2+) concentration" EXACT [] is_a: CDNO:0200570 ! concentration of dietary magnesium in material entity [Term] id: CDNO:0200141 name: concentration of nitrogen atom in material entity def: "The concentration of nitrogen atom when measured in some material entity." [] synonym: "material entity nitrogen atom concentration" EXACT [] xref: INFOODs: NAM xref: INFOODs: NT xref: USDA_NDB: 1002 is_a: CDNO:0200137 ! concentration of macro element in material entity [Term] id: CDNO:0200142 name: concentration of phosphide in material entity def: "The concentration of phosphide when measured in some material entity." [] synonym: "material entity phosphide concentration" EXACT [] is_a: CDNO:0200578 ! concentration of dietary phosphorus in material entity [Term] id: CDNO:0200143 name: concentration of potassium(1+) in material entity def: "The concentration of potassium(1+) when measured in some material entity." [] synonym: "material entity potassium(1+) concentration" EXACT [] xref: INFOODs: K xref: USDA_NDB: 1092 is_a: CDNO:0200592 ! concentration of dietary potassium in material entity [Term] id: CDNO:0200144 name: concentration of sodium(1+) in material entity def: "The concentration of sodium(1+) when measured in some material entity." [] synonym: "material entity sodium(1+) concentration" EXACT [] xref: INFOODs: NA xref: USDA_NDB: 1093 is_a: CDNO:0200599 ! concentration of dietary sodium in material entity [Term] id: CDNO:0200145 name: concentration of sulfide(2_) in material entity def: "The concentration of sulfide(2_) when measured in some material entity." [] synonym: "material entity sulfide(2_) concentration" EXACT [] xref: INFOODs: S xref: USDA_NDB: 1094 is_a: CDNO:0200619 ! concentration of dietary sulfur in material entity [Term] id: CDNO:0200146 name: concentration of trace element in material entity def: "The concentration of trace element when measured in some material entity." [] synonym: "material entity trace element concentration" EXACT [] is_a: CDNO:0200136 ! concentration of mineral nutrient in material entity [Term] id: CDNO:0200147 name: concentration of aluminium(3+) in material entity def: "The concentration of aluminium(3+) when measured in some material entity." [] synonym: "material entity aluminium(3+) concentration" EXACT [] xref: INFOODs: AL is_a: CDNO:0200146 ! concentration of trace element in material entity [Term] id: CDNO:0200148 name: concentration of antimony(3+) in material entity def: "The concentration of antimony(3+) when measured in some material entity." [] synonym: "material entity antimony(3+) concentration" EXACT [] xref: INFOODs: SB is_a: CDNO:0200146 ! concentration of trace element in material entity [Term] id: CDNO:0200149 name: concentration of arsenic(3+) in material entity def: "The concentration of arsenic(3+) when measured in some material entity." [] synonym: "material entity arsenic(3+) concentration" EXACT [] xref: INFOODs: AS is_a: CDNO:0200146 ! concentration of trace element in material entity [Term] id: CDNO:0200150 name: concentration of boron(3+) in material entity def: "The concentration of boron(3+) when measured in some material entity." [] synonym: "material entity boron(3+) concentration" EXACT [] xref: INFOODs: B xref: USDA_NDB: 1137 is_a: CDNO:0200146 ! concentration of trace element in material entity [Term] id: CDNO:0200151 name: concentration of cadmium(2+) in material entity def: "The concentration of cadmium(2+) when measured in some material entity." [] synonym: "material entity cadmium(2+) concentration" EXACT [] xref: INFOODs: CD is_a: CDNO:0200146 ! concentration of trace element in material entity [Term] id: CDNO:0200152 name: concentration of chromium(2+) in material entity def: "The concentration of chromium(2+) when measured in some material entity." [] synonym: "material entity chromium(2+) concentration" EXACT [] xref: INFOODs: CR xref: USDA_NDB: 1096 is_a: CDNO:0200639 ! concentration of dietary chromium in material entity [Term] id: CDNO:0200153 name: concentration of cobalt(2+) in material entity def: "The concentration of cobalt(2+) when measured in some material entity." [] synonym: "material entity cobalt(2+) concentration" EXACT [] xref: INFOODs: CO xref: USDA_NDB: 1097 is_a: CDNO:0200146 ! concentration of trace element in material entity [Term] id: CDNO:0200154 name: concentration of copper(2+) in material entity def: "The concentration of copper(2+) when measured in some material entity." [] synonym: "material entity copper(2+) concentration" EXACT [] xref: INFOODs: CU xref: USDA_NDB: 1098 is_a: CDNO:0200642 ! concentration of dietary copper in material entity [Term] id: CDNO:0200155 name: concentration of fluoride in material entity def: "The concentration of fluoride when measured in some material entity." [] synonym: "material entity fluoride concentration" EXACT [] xref: INFOODs: FD xref: USDA_NDB: 1099 is_a: CDNO:0200645 ! concentration of dietary fluorine in material entity [Term] id: CDNO:0200156 name: concentration of iodine in material entity def: "The concentration of iodine when measured in some material entity." [] synonym: "material entity iodine concentration" EXACT [] xref: INFOODs: ID xref: USDA_NDB: 1100 is_a: CDNO:0200648 ! concentration of dietary iodine in material entity [Term] id: CDNO:0200157 name: concentration of iron(2+) in material entity def: "The concentration of iron(2+) when measured in some material entity." [] synonym: "material entity iron(2+) concentration" EXACT [] xref: INFOODs: FE xref: USDA_NDB: 1089 is_a: CDNO:0200651 ! concentration of dietary iron in material entity [Term] id: CDNO:0200158 name: concentration of lead(2+) in material entity def: "The concentration of lead(2+) when measured in some material entity." [] synonym: "material entity lead(2+) concentration" EXACT [] xref: INFOODs: PB is_a: CDNO:0200146 ! concentration of trace element in material entity [Term] id: CDNO:0200159 name: concentration of lithium(1+) in material entity def: "The concentration of lithium(1+) when measured in some material entity." [] synonym: "material entity lithium(1+) concentration" EXACT [] xref: INFOODs: LI is_a: CDNO:0200146 ! concentration of trace element in material entity [Term] id: CDNO:0200160 name: concentration of manganese(2+) in material entity def: "The concentration of manganese(2+) when measured in some material entity." [] synonym: "material entity manganese(2+) concentration" EXACT [] xref: INFOODs: MN xref: USDA_NDB: 1101 is_a: CDNO:0200657 ! concentration of dietary manganese in material entity [Term] id: CDNO:0200161 name: concentration of mercury(2+) in material entity def: "The concentration of mercury(2+) when measured in some material entity." [] synonym: "material entity mercury(2+) concentration" EXACT [] xref: INFOODs: HG is_a: CDNO:0200146 ! concentration of trace element in material entity [Term] id: CDNO:0200162 name: concentration of molybdenum(4+) in material entity def: "The concentration of molybdenum(4+) when measured in some material entity." [] synonym: "material entity molybdenum(4+) concentration" EXACT [] xref: INFOODs: MO xref: USDA_NDB: 1102 is_a: CDNO:0200661 ! concentration of dietary molybdenum in material entity [Term] id: CDNO:0200163 name: concentration of nickel(2+) in material entity def: "The concentration of nickel(2+) when measured in some material entity." [] synonym: "material entity nickel(2+) concentration" EXACT [] xref: INFOODs: NI xref: USDA_NDB: 1146 is_a: CDNO:0200146 ! concentration of trace element in material entity [Term] id: CDNO:0200164 name: concentration of rubidium(1+) in material entity def: "The concentration of rubidium(1+) when measured in some material entity." [] synonym: "material entity rubidium(1+) concentration" EXACT [] xref: INFOODs: RB is_a: CDNO:0200146 ! concentration of trace element in material entity [Term] id: CDNO:0200165 name: concentration of selenium(2+) in material entity def: "The concentration of selenium(2+) when measured in some material entity." [] synonym: "material entity selenium(2+) concentration" EXACT [] xref: INFOODs: SE xref: USDA_NDB: 1103 is_a: CDNO:0200146 ! concentration of trace element in material entity [Term] id: CDNO:0200166 name: concentration of strontium(2+) in material entity def: "The concentration of strontium(2+) when measured in some material entity." [] synonym: "material entity strontium(2+) concentration" EXACT [] xref: INFOODs: SR is_a: CDNO:0200146 ! concentration of trace element in material entity [Term] id: CDNO:0200167 name: concentration of tin(2+) in material entity def: "The concentration of tin(2+) when measured in some material entity." [] synonym: "material entity tin(2+) concentration" EXACT [] xref: INFOODs: SN is_a: CDNO:0200146 ! concentration of trace element in material entity [Term] id: CDNO:0200168 name: concentration of titanium(3+) in material entity def: "The concentration of titanium(3+) when measured in some material entity." [] synonym: "material entity titanium(3+) concentration" EXACT [] xref: INFOODs: TI is_a: CDNO:0200146 ! concentration of trace element in material entity [Term] id: CDNO:0200169 name: concentration of vanadium(2+) in material entity def: "The concentration of vanadium(2+) when measured in some material entity." [] synonym: "material entity vanadium(2+) concentration" EXACT [] xref: INFOODs: V is_a: CDNO:0200146 ! concentration of trace element in material entity [Term] id: CDNO:0200170 name: concentration of zinc(2+) in material entity def: "The concentration of zinc(2+) when measured in some material entity." [] synonym: "material entity zinc(2+) concentration" EXACT [] xref: INFOODs: ZN xref: USDA_NDB: 1095 is_a: CDNO:0200670 ! concentration of dietary zinc in material entity [Term] id: CDNO:0200171 name: concentration of barium(2+) in material entity def: "The concentration of barium(2+) when measured in some material entity." [] synonym: "material entity barium(2+) concentration" EXACT [] xref: INFOODs: BA is_a: CDNO:0200146 ! concentration of trace element in material entity [Term] id: CDNO:0200172 name: concentration of caesium(1+) in material entity def: "The concentration of caesium(1+) when measured in some material entity." [] synonym: "material entity caesium(1+) concentration" EXACT [] xref: INFOODs: CS is_a: CDNO:0200146 ! concentration of trace element in material entity [Term] id: CDNO:0200173 name: concentration of bismuth(3+) in material entity def: "The concentration of bismuth(3+) when measured in some material entity." [] synonym: "material entity bismuth(3+) concentration" EXACT [] xref: INFOODs: BI is_a: CDNO:0200146 ! concentration of trace element in material entity [Term] id: CDNO:0200174 name: concentration of lanthanum(2+) in material entity def: "The concentration of lanthanum(2+) when measured in some material entity." [] synonym: "material entity lanthanum(2+) concentration" EXACT [] xref: INFOODs: LA is_a: CDNO:0200146 ! concentration of trace element in material entity [Term] id: CDNO:0200175 name: concentration of salt in material entity def: "The concentration of salt when measured in some material entity." [] synonym: "material entity salt concentration" EXACT [] xref: INFOODs: NACL is_a: CDNO:0200001 ! concentration of dietary chemical component in material entity [Term] id: CDNO:0200176 name: concentration of sodium chloride in material entity def: "The concentration of sodium chloride when measured in some material entity." [] synonym: "material entity sodium chloride concentration" EXACT [] is_a: CDNO:0200175 ! concentration of salt in material entity is_a: CDNO:0200560 ! concentration of inorganic chloride in material entity is_a: CDNO:0200600 ! concentration of inorganic sodium salt in material entity [Term] id: CDNO:0200177 name: concentration of inorganic nitrate salt in material entity def: "The concentration of inorganic nitrate salt when measured in some material entity." [] synonym: "material entity inorganic nitrate salt concentration" EXACT [] xref: INFOODs: NITRA xref: INFOODs: NITRI is_a: CDNO:0200175 ! concentration of salt in material entity [Term] id: CDNO:0200178 name: concentration of bromide in material entity def: "The concentration of bromide when measured in some material entity." [] synonym: "material entity bromide concentration" EXACT [] xref: INFOODs: BRD is_a: CDNO:0200175 ! concentration of salt in material entity [Term] id: CDNO:0200179 name: concentration of vitamin (molecular entity) in material entity def: "The concentration of vitamin (molecular entity) when measured in some material entity." [] synonym: "material entity vitamin (molecular entity) concentration" EXACT [] is_a: CDNO:0200001 ! concentration of dietary chemical component in material entity [Term] id: CDNO:0200181 name: concentration of 5-formyltetrahydrofolic acid in material entity def: "The concentration of 5-formyltetrahydrofolic acid when measured in some material entity." [] synonym: "material entity 5-formyltetrahydrofolic acid concentration" EXACT [] xref: USDA_NDB: 1192 is_a: CDNO:0200190 ! concentration of folic acid in material entity [Term] id: CDNO:0200182 name: concentration of B vitamin in material entity def: "The concentration of B vitamin when measured in some material entity." [] synonym: "material entity B vitamin concentration" EXACT [] is_a: CDNO:0200179 ! concentration of vitamin (molecular entity) in material entity [Term] id: CDNO:0200183 name: concentration of (6R)-5,10-methenyltetrahydrofolate in material entity def: "The concentration of (6R)-5,10-methenyltetrahydrofolate when measured in some material entity." [] synonym: "material entity (6R)-5,10-methenyltetrahydrofolate concentration" EXACT [] is_a: CDNO:0200533 ! concentration of tetrahydrofolate in material entity [Term] id: CDNO:0200184 name: concentration of vitamin B1 in material entity def: "The concentration of vitamin B1 when measured in some material entity." [] synonym: "material entity vitamin B1 concentration" EXACT [] xref: INFOODs: THIA- xref: USDA_NDB: 1165 is_a: CDNO:0200182 ! concentration of B vitamin in material entity [Term] id: CDNO:0200185 name: concentration of riboflavin in material entity def: "The concentration of riboflavin when measured in some material entity." [] synonym: "material entity riboflavin concentration" EXACT [] xref: INFOODs: RIBF xref: USDA_NDB: 1166 is_a: CDNO:0200527 ! concentration of vitamin B2 in material entity [Term] id: CDNO:0200186 name: concentration of nicotinic acid in material entity def: "The concentration of nicotinic acid when measured in some material entity." [] synonym: "material entity nicotinic acid concentration" EXACT [] xref: INFOODs: NIA- xref: USDA_NDB: 1167 is_a: CDNO:0200528 ! concentration of vitamin B3 in material entity [Term] id: CDNO:0200187 name: concentration of (R)-pantothenic acid in material entity def: "The concentration of (R)-pantothenic acid when measured in some material entity." [] synonym: "material entity (R)-pantothenic acid concentration" EXACT [] xref: INFOODs: PANTAC xref: USDA_NDB: 1170 is_a: CDNO:0200529 ! concentration of vitamin B5 in material entity [Term] id: CDNO:0200188 name: concentration of pyridoxine in material entity def: "The concentration of pyridoxine when measured in some material entity." [] synonym: "material entity pyridoxine concentration" EXACT [] xref: INFOODs: PYRXN is_a: CDNO:0200530 ! concentration of vitamin B6 in material entity [Term] id: CDNO:0200189 name: concentration of biotin in material entity def: "The concentration of biotin when measured in some material entity." [] synonym: "material entity biotin concentration" EXACT [] xref: INFOODs: BIOT xref: USDA_NDB: 1176 is_a: CDNO:0200531 ! concentration of vitamin B7 in material entity [Term] id: CDNO:0200190 name: concentration of folic acid in material entity def: "The concentration of folic acid when measured in some material entity." [] synonym: "material entity folic acid concentration" EXACT [] xref: INFOODs: FOLAC xref: USDA_NDB: 1186 is_a: CDNO:0200532 ! concentration of vitamin B9 in material entity [Term] id: CDNO:0200191 name: concentration of cyanocob(III)alamin in material entity def: "The concentration of cyanocob(III)alamin when measured in some material entity." [] synonym: "material entity cyanocob(III)alamin concentration" EXACT [] is_a: CDNO:0200534 ! concentration of vitamin B12 in material entity [Term] id: CDNO:0200192 name: concentration of vitamin C in material entity def: "The concentration of vitamin C when measured in some material entity." [] synonym: "material entity vitamin C concentration" EXACT [] xref: INFOODs: VITC xref: INFOODs: VITC- xref: USDA_NDB: 1162 is_a: CDNO:0200179 ! concentration of vitamin (molecular entity) in material entity [Term] id: CDNO:0200193 name: concentration of L-ascorbic acid in material entity def: "The concentration of L-ascorbic acid when measured in some material entity." [] synonym: "material entity L-ascorbic acid concentration" EXACT [] xref: INFOODs: ASCL is_a: CDNO:0200192 ! concentration of vitamin C in material entity is_a: CDNO:0200430 ! concentration of ascorbic acid in material entity [Term] id: CDNO:0200195 name: concentration of vitamin A in material entity def: "The concentration of vitamin A when measured in some material entity." [] synonym: "material entity vitamin A concentration" EXACT [] xref: INFOODs: VITA xref: INFOODs: VITA- xref: INFOODs: VITAA xref: USDA_NDB: 1104 xref: USDA_NDB: 1106 is_a: CDNO:0200179 ! concentration of vitamin (molecular entity) in material entity [Term] id: CDNO:0200196 name: concentration of carotenoid in material entity def: "The concentration of carotenoid when measured in some material entity." [] synonym: "material entity carotenoid concentration" EXACT [] xref: INFOODs: CARTOID is_a: CDNO:0200524 ! concentration of tetraterpenoid in material entity [Term] id: CDNO:0200197 name: concentration of Œ±-carotene in material entity def: "The concentration of Œ±-carotene when measured in some material entity." [] synonym: "material entity Œ±-carotene concentration" EXACT [] xref: INFOODs: CARTA xref: USDA_NDB: 1108 is_a: CDNO:0200196 ! concentration of carotenoid in material entity [Term] id: CDNO:0200198 name: concentration of Œ≤-carotene in material entity def: "The concentration of Œ≤-carotene when measured in some material entity." [] synonym: "material entity Œ≤-carotene concentration" EXACT [] xref: INFOODs: CARTB xref: USDA_NDB: 1107 is_a: CDNO:0200196 ! concentration of carotenoid in material entity [Term] id: CDNO:0200199 name: concentration of 4-hydroxy-all-trans-Œ≤-carotene in material entity def: "The concentration of 4-hydroxy-all-trans-Œ≤-carotene when measured in some material entity." [] synonym: "material entity 4-hydroxy-all-trans-Œ≤-carotene concentration" EXACT [] xref: INFOODs: CARTB xref: USDA_NDB: 2028 is_a: CDNO:0200523 ! concentration of carotene in material entity [Term] id: CDNO:0200200 name: concentration of 9-cis-Œ≤-carotene in material entity def: "The concentration of 9-cis-Œ≤-carotene when measured in some material entity." [] synonym: "material entity 9-cis-Œ≤-carotene concentration" EXACT [] xref: INFOODs: CARTBCIS xref: USDA_NDB: 1159 is_a: CDNO:0200196 ! concentration of carotenoid in material entity [Term] id: CDNO:0200201 name: concentration of vitamin D in material entity def: "The concentration of vitamin D when measured in some material entity." [] synonym: "material entity vitamin D concentration" EXACT [] xref: INFOODs: VITD xref: INFOODs: VITD- xref: USDA_NDB: 1110 is_a: CDNO:0200179 ! concentration of vitamin (molecular entity) in material entity [Term] id: CDNO:0200202 name: concentration of calcidiol in material entity def: "The concentration of calcidiol when measured in some material entity." [] synonym: "material entity calcidiol concentration" EXACT [] is_a: CDNO:0200536 ! concentration of D3 vitamins in material entity [Term] id: CDNO:0200203 name: concentration of vitamin E in material entity def: "The concentration of vitamin E when measured in some material entity." [] synonym: "material entity vitamin E concentration" EXACT [] xref: INFOODs: VITE xref: INFOODs: VITE- xref: INFOODs: VITEA xref: USDA_NDB: 1124 xref: USDA_NDB: 1158 xref: USDA_NDB: 1242 is_a: CDNO:0200179 ! concentration of vitamin (molecular entity) in material entity [Term] id: CDNO:0200204 name: concentration of tocopherol in material entity def: "The concentration of tocopherol when measured in some material entity." [] synonym: "material entity tocopherol concentration" EXACT [] xref: INFOODs: TOCPHT is_a: CDNO:0200203 ! concentration of vitamin E in material entity [Term] id: CDNO:0200205 name: concentration of Œ±-tocopherol in material entity def: "The concentration of Œ±-tocopherol when measured in some material entity." [] synonym: "material entity Œ±-tocopherol concentration" EXACT [] xref: INFOODs: TOCPHA xref: USDA_NDB: 1109 is_a: CDNO:0200204 ! concentration of tocopherol in material entity [Term] id: CDNO:0200206 name: concentration of Œ≤-tocopherol in material entity def: "The concentration of Œ≤-tocopherol when measured in some material entity." [] synonym: "material entity Œ≤-tocopherol concentration" EXACT [] xref: INFOODs: TOCPHB xref: USDA_NDB: 1125 is_a: CDNO:0200204 ! concentration of tocopherol in material entity [Term] id: CDNO:0200207 name: concentration of Œ≥-tocopherol in material entity def: "The concentration of Œ≥-tocopherol when measured in some material entity." [] synonym: "material entity Œ≥-tocopherol concentration" EXACT [] xref: INFOODs: TOCPHG xref: USDA_NDB: 1126 is_a: CDNO:0200204 ! concentration of tocopherol in material entity [Term] id: CDNO:0200208 name: concentration of Œ¥-tocopherol in material entity def: "The concentration of Œ¥-tocopherol when measured in some material entity." [] synonym: "material entity Œ¥-tocopherol concentration" EXACT [] xref: INFOODs: TOCPHD xref: USDA_NDB: 1127 is_a: CDNO:0200204 ! concentration of tocopherol in material entity [Term] id: CDNO:0200209 name: concentration of tocotrienol in material entity def: "The concentration of tocotrienol when measured in some material entity." [] synonym: "material entity tocotrienol concentration" EXACT [] xref: INFOODs: TOCTRT is_a: CDNO:0200203 ! concentration of vitamin E in material entity [Term] id: CDNO:0200210 name: concentration of Œ±-tocotrienol in material entity def: "The concentration of Œ±-tocotrienol when measured in some material entity." [] synonym: "material entity Œ±-tocotrienol concentration" EXACT [] xref: INFOODs: TOCTRA xref: USDA_NDB: 1128 is_a: CDNO:0200209 ! concentration of tocotrienol in material entity [Term] id: CDNO:0200211 name: concentration of Œ≤-tocotrienol in material entity def: "The concentration of Œ≤-tocotrienol when measured in some material entity." [] synonym: "material entity Œ≤-tocotrienol concentration" EXACT [] xref: INFOODs: TOCTRB xref: USDA_NDB: 1129 is_a: CDNO:0200209 ! concentration of tocotrienol in material entity [Term] id: CDNO:0200212 name: concentration of Œ≥-tocotrienol in material entity def: "The concentration of Œ≥-tocotrienol when measured in some material entity." [] synonym: "material entity Œ≥-tocotrienol concentration" EXACT [] xref: INFOODs: TOCTRG xref: USDA_NDB: 1130 is_a: CDNO:0200209 ! concentration of tocotrienol in material entity [Term] id: CDNO:0200213 name: concentration of Œ¥-tocotrienol in material entity def: "The concentration of Œ¥-tocotrienol when measured in some material entity." [] synonym: "material entity Œ¥-tocotrienol concentration" EXACT [] xref: INFOODs: TOCTRD xref: USDA_NDB: 1131 is_a: CDNO:0200209 ! concentration of tocotrienol in material entity [Term] id: CDNO:0200214 name: concentration of vitamin K in material entity def: "The concentration of vitamin K when measured in some material entity." [] synonym: "material entity vitamin K concentration" EXACT [] xref: INFOODs: VITK is_a: CDNO:0200179 ! concentration of vitamin (molecular entity) in material entity [Term] id: CDNO:0200215 name: concentration of plant secondary metabolite in material entity def: "The concentration of plant secondary metabolite when measured in some material entity." [] synonym: "material entity plant secondary metabolite concentration" EXACT [] is_a: CDNO:0200001 ! concentration of dietary chemical component in material entity [Term] id: CDNO:0200216 name: concentration of alkaloid in material entity def: "The concentration of alkaloid when measured in some material entity." [] synonym: "material entity alkaloid concentration" EXACT [] is_a: CDNO:0200215 ! concentration of plant secondary metabolite in material entity [Term] id: CDNO:0200217 name: concentration of caffeine in material entity def: "The concentration of caffeine when measured in some material entity." [] synonym: "material entity caffeine concentration" EXACT [] xref: INFOODs: CAFFN xref: USDA_NDB: 1057 is_a: CDNO:0200216 ! concentration of alkaloid in material entity [Term] id: CDNO:0200218 name: concentration of mescaline in material entity def: "The concentration of mescaline when measured in some material entity." [] synonym: "material entity mescaline concentration" EXACT [] is_a: CDNO:0200216 ! concentration of alkaloid in material entity [Term] id: CDNO:0200219 name: concentration of theobromine in material entity def: "The concentration of theobromine when measured in some material entity." [] synonym: "material entity theobromine concentration" EXACT [] xref: INFOODs: THEBRN xref: USDA_NDB: 1058 is_a: CDNO:0200216 ! concentration of alkaloid in material entity [Term] id: CDNO:0200220 name: concentration of phenols in material entity def: "The concentration of phenols when measured in some material entity." [] synonym: "material entity phenols concentration" EXACT [] is_a: CDNO:0200215 ! concentration of plant secondary metabolite in material entity [Term] id: CDNO:0200221 name: concentration of polyphenol in material entity def: "The concentration of polyphenol when measured in some material entity." [] synonym: "material entity polyphenol concentration" EXACT [] xref: INFOODs: POLYPHENT is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200222 name: concentration of tannin in material entity def: "The concentration of tannin when measured in some material entity." [] synonym: "material entity tannin concentration" EXACT [] xref: INFOODs: TAN is_a: CDNO:0200221 ! concentration of polyphenol in material entity [Term] id: CDNO:0200223 name: concentration of chlorogenic acid in material entity def: "The concentration of chlorogenic acid when measured in some material entity." [] synonym: "material entity chlorogenic acid concentration" EXACT [] xref: INFOODs: CHLRAC is_a: CDNO:0200222 ! concentration of tannin in material entity [Term] id: CDNO:0200224 name: concentration of proanthocyanidin in material entity def: "The concentration of proanthocyanidin when measured in some material entity." [] synonym: "material entity proanthocyanidin concentration" EXACT [] xref: INFOODs: PAPOLY xref: INFOODs: TAN is_a: CDNO:0200222 ! concentration of tannin in material entity is_a: CDNO:0200269 ! concentration of flavonoid in material entity [Term] id: CDNO:0200225 name: concentration of hydrolysable tannin in material entity def: "The concentration of hydrolysable tannin when measured in some material entity." [] synonym: "material entity hydrolysable tannin concentration" EXACT [] xref: INFOODs: TAN is_a: CDNO:0200222 ! concentration of tannin in material entity [Term] id: CDNO:0200226 name: concentration of ellagitannin in material entity def: "The concentration of ellagitannin when measured in some material entity." [] synonym: "material entity ellagitannin concentration" EXACT [] xref: INFOODs: ELLAC is_a: CDNO:0200222 ! concentration of tannin in material entity [Term] id: CDNO:0200227 name: concentration of gallotannin in material entity def: "The concentration of gallotannin when measured in some material entity." [] synonym: "material entity gallotannin concentration" EXACT [] is_a: CDNO:0200222 ! concentration of tannin in material entity [Term] id: CDNO:0200228 name: concentration of phlorotannin in material entity def: "The concentration of phlorotannin when measured in some material entity." [] synonym: "material entity phlorotannin concentration" EXACT [] is_a: CDNO:0200222 ! concentration of tannin in material entity [Term] id: CDNO:0200229 name: concentration of catechol in material entity def: "The concentration of catechol when measured in some material entity." [] synonym: "material entity catechol concentration" EXACT [] is_a: CDNO:0200222 ! concentration of tannin in material entity [Term] id: CDNO:0200230 name: concentration of phloroglucinol in material entity def: "The concentration of phloroglucinol when measured in some material entity." [] synonym: "material entity phloroglucinol concentration" EXACT [] is_a: CDNO:0200222 ! concentration of tannin in material entity [Term] id: CDNO:0200231 name: concentration of (‚àí)-epigallocatechin 3-gallate in material entity def: "The concentration of (‚àí)-epigallocatechin 3-gallate when measured in some material entity." [] synonym: "material entity (‚àí)-epigallocatechin 3-gallate concentration" EXACT [] xref: INFOODs: EPICATEGC xref: USDA_NDB: 1368 is_a: CDNO:0200221 ! concentration of polyphenol in material entity is_a: CDNO:0200263 ! concentration of xanthones in material entity is_a: CDNO:0200319 ! concentration of catechin in material entity [Term] id: CDNO:0200232 name: concentration of phenolic acid in material entity def: "The concentration of phenolic acid when measured in some material entity." [] synonym: "material entity phenolic acid concentration" EXACT [] is_a: CDNO:0200215 ! concentration of plant secondary metabolite in material entity [Term] id: CDNO:0200233 name: concentration of gallic acid in material entity def: "The concentration of gallic acid when measured in some material entity." [] synonym: "material entity gallic acid concentration" EXACT [] xref: INFOODs: GALLAC is_a: CDNO:0200232 ! concentration of phenolic acid in material entity [Term] id: CDNO:0200234 name: concentration of hydroxybenzoic acid in material entity def: "The concentration of hydroxybenzoic acid when measured in some material entity." [] synonym: "material entity hydroxybenzoic acid concentration" EXACT [] is_a: CDNO:0200232 ! concentration of phenolic acid in material entity [Term] id: CDNO:0200235 name: concentration of salicylic acid in material entity def: "The concentration of salicylic acid when measured in some material entity." [] synonym: "material entity salicylic acid concentration" EXACT [] xref: INFOODs: SALAC is_a: CDNO:0200234 ! concentration of hydroxybenzoic acid in material entity is_a: CDNO:0200422 ! concentration of organic acid in material entity [Term] id: CDNO:0200236 name: concentration of hydroquinone O-Œ≤-D-glucopyranoside in material entity def: "The concentration of hydroquinone O-Œ≤-D-glucopyranoside when measured in some material entity." [] synonym: "material entity hydroquinone O-Œ≤-D-glucopyranoside concentration" EXACT [] is_a: CDNO:0200232 ! concentration of phenolic acid in material entity [Term] id: CDNO:0200237 name: concentration of vanillic acid in material entity def: "The concentration of vanillic acid when measured in some material entity." [] synonym: "material entity vanillic acid concentration" EXACT [] xref: INFOODs: VANAC is_a: CDNO:0200232 ! concentration of phenolic acid in material entity [Term] id: CDNO:0200238 name: concentration of syringic acid in material entity def: "The concentration of syringic acid when measured in some material entity." [] synonym: "material entity syringic acid concentration" EXACT [] xref: INFOODs: SYRAC is_a: CDNO:0200232 ! concentration of phenolic acid in material entity [Term] id: CDNO:0200239 name: concentration of methyl ketone in material entity def: "The concentration of methyl ketone when measured in some material entity." [] synonym: "material entity methyl ketone concentration" EXACT [] is_a: CDNO:0200215 ! concentration of plant secondary metabolite in material entity [Term] id: CDNO:0200240 name: concentration of acetophenone in material entity def: "The concentration of acetophenone when measured in some material entity." [] synonym: "material entity acetophenone concentration" EXACT [] is_a: CDNO:0200239 ! concentration of methyl ketone in material entity [Term] id: CDNO:0200241 name: concentration of phenylacetic acid in material entity def: "The concentration of phenylacetic acid when measured in some material entity." [] synonym: "material entity phenylacetic acid concentration" EXACT [] is_a: CDNO:0200239 ! concentration of methyl ketone in material entity [Term] id: CDNO:0200242 name: concentration of hydroxycinnamic acid in material entity def: "The concentration of hydroxycinnamic acid when measured in some material entity." [] synonym: "material entity hydroxycinnamic acid concentration" EXACT [] is_a: CDNO:0200215 ! concentration of plant secondary metabolite in material entity [Term] id: CDNO:0200243 name: concentration of caffeic acid in material entity def: "The concentration of caffeic acid when measured in some material entity." [] synonym: "material entity caffeic acid concentration" EXACT [] xref: INFOODs: CAFFAC is_a: CDNO:0200242 ! concentration of hydroxycinnamic acid in material entity [Term] id: CDNO:0200244 name: concentration of sinapic acid in material entity def: "The concentration of sinapic acid when measured in some material entity." [] synonym: "material entity sinapic acid concentration" EXACT [] xref: INFOODs: SINPAC is_a: CDNO:0200242 ! concentration of hydroxycinnamic acid in material entity [Term] id: CDNO:0200245 name: concentration of chromones in material entity def: "The concentration of chromones when measured in some material entity." [] synonym: "material entity chromones concentration" EXACT [] is_a: CDNO:0200242 ! concentration of hydroxycinnamic acid in material entity [Term] id: CDNO:0200246 name: concentration of Chicoric acid in material entity def: "The concentration of Chicoric acid when measured in some material entity." [] synonym: "material entity Chicoric acid concentration" EXACT [] is_a: CDNO:0200242 ! concentration of hydroxycinnamic acid in material entity [Term] id: CDNO:0200247 name: concentration of coumaric acid in material entity def: "The concentration of coumaric acid when measured in some material entity." [] synonym: "material entity coumaric acid concentration" EXACT [] is_a: CDNO:0200242 ! concentration of hydroxycinnamic acid in material entity [Term] id: CDNO:0200248 name: concentration of 4-coumaric acid in material entity def: "The concentration of 4-coumaric acid when measured in some material entity." [] synonym: "material entity 4-coumaric acid concentration" EXACT [] xref: INFOODs: PCHOUAC is_a: CDNO:0200247 ! concentration of coumaric acid in material entity [Term] id: CDNO:0200249 name: concentration of 2-coumaric acid in material entity def: "The concentration of 2-coumaric acid when measured in some material entity." [] synonym: "material entity 2-coumaric acid concentration" EXACT [] is_a: CDNO:0200247 ! concentration of coumaric acid in material entity [Term] id: CDNO:0200250 name: concentration of 3-coumaric acid in material entity def: "The concentration of 3-coumaric acid when measured in some material entity." [] synonym: "material entity 3-coumaric acid concentration" EXACT [] is_a: CDNO:0200247 ! concentration of coumaric acid in material entity [Term] id: CDNO:0200251 name: concentration of ferulic acid in material entity def: "The concentration of ferulic acid when measured in some material entity." [] synonym: "material entity ferulic acid concentration" EXACT [] xref: INFOODs: FERAC is_a: CDNO:0200242 ! concentration of hydroxycinnamic acid in material entity [Term] id: CDNO:0200252 name: concentration of scopoletin in material entity def: "The concentration of scopoletin when measured in some material entity." [] synonym: "material entity scopoletin concentration" EXACT [] is_a: CDNO:0200242 ! concentration of hydroxycinnamic acid in material entity [Term] id: CDNO:0200253 name: concentration of phenylpropane in material entity def: "The concentration of phenylpropane when measured in some material entity." [] synonym: "material entity phenylpropane concentration" EXACT [] is_a: CDNO:0200242 ! concentration of hydroxycinnamic acid in material entity [Term] id: CDNO:0200254 name: concentration of napthoquinone in material entity def: "The concentration of napthoquinone when measured in some material entity." [] synonym: "material entity napthoquinone concentration" EXACT [] is_a: CDNO:0200215 ! concentration of plant secondary metabolite in material entity [Term] id: CDNO:0200255 name: concentration of 1,2-napthoquinone in material entity def: "The concentration of 1,2-napthoquinone when measured in some material entity." [] synonym: "material entity 1,2-napthoquinone concentration" EXACT [] is_a: CDNO:0200254 ! concentration of napthoquinone in material entity [Term] id: CDNO:0200256 name: concentration of 1,4-napthoquinone in material entity def: "The concentration of 1,4-napthoquinone when measured in some material entity." [] synonym: "material entity 1,4-napthoquinone concentration" EXACT [] is_a: CDNO:0200254 ! concentration of napthoquinone in material entity [Term] id: CDNO:0200257 name: concentration of juglone in material entity def: "The concentration of juglone when measured in some material entity." [] synonym: "material entity juglone concentration" EXACT [] is_a: CDNO:0200256 ! concentration of 1,4-napthoquinone in material entity [Term] id: CDNO:0200258 name: concentration of stilbenoid in material entity def: "The concentration of stilbenoid when measured in some material entity." [] synonym: "material entity stilbenoid concentration" EXACT [] is_a: CDNO:0200215 ! concentration of plant secondary metabolite in material entity [Term] id: CDNO:0200259 name: concentration of stilbene in material entity def: "The concentration of stilbene when measured in some material entity." [] synonym: "material entity stilbene concentration" EXACT [] is_a: CDNO:0200258 ! concentration of stilbenoid in material entity [Term] id: CDNO:0200260 name: concentration of anthraquinone in material entity def: "The concentration of anthraquinone when measured in some material entity." [] synonym: "material entity anthraquinone concentration" EXACT [] is_a: CDNO:0200258 ! concentration of stilbenoid in material entity [Term] id: CDNO:0200261 name: concentration of aglycone in material entity def: "The concentration of aglycone when measured in some material entity." [] synonym: "material entity aglycone concentration" EXACT [] is_a: CDNO:0200260 ! concentration of anthraquinone in material entity [Term] id: CDNO:0200262 name: concentration of emodin in material entity def: "The concentration of emodin when measured in some material entity." [] synonym: "material entity emodin concentration" EXACT [] is_a: CDNO:0200260 ! concentration of anthraquinone in material entity [Term] id: CDNO:0200263 name: concentration of xanthones in material entity def: "The concentration of xanthones when measured in some material entity." [] synonym: "material entity xanthones concentration" EXACT [] is_a: CDNO:0200215 ! concentration of plant secondary metabolite in material entity [Term] id: CDNO:0200264 name: concentration of simple oxygenated xanthones in material entity def: "The concentration of simple oxygenated xanthones when measured in some material entity." [] synonym: "material entity simple oxygenated xanthones concentration" EXACT [] is_a: CDNO:0200263 ! concentration of xanthones in material entity [Term] id: CDNO:0200265 name: concentration of xanthone glycoside in material entity def: "The concentration of xanthone glycoside when measured in some material entity." [] synonym: "material entity xanthone glycoside concentration" EXACT [] is_a: CDNO:0200263 ! concentration of xanthones in material entity [Term] id: CDNO:0200266 name: concentration of prenylated and related xanthones in material entity def: "The concentration of prenylated and related xanthones when measured in some material entity." [] synonym: "material entity prenylated and related xanthones concentration" EXACT [] is_a: CDNO:0200263 ! concentration of xanthones in material entity [Term] id: CDNO:0200267 name: concentration of xanthonolignoid in material entity def: "The concentration of xanthonolignoid when measured in some material entity." [] synonym: "material entity xanthonolignoid concentration" EXACT [] is_a: CDNO:0200263 ! concentration of xanthones in material entity [Term] id: CDNO:0200268 name: concentration of flavonoids in material entity def: "The concentration of flavonoids when measured in some material entity." [] synonym: "material entity flavonoids concentration" EXACT [] xref: INFOODs: FLAVD is_a: CDNO:0200215 ! concentration of plant secondary metabolite in material entity [Term] id: CDNO:0200269 name: concentration of flavonoid in material entity def: "The concentration of flavonoid when measured in some material entity." [] synonym: "material entity flavonoid concentration" EXACT [] xref: INFOODs: FLAVD is_a: CDNO:0200268 ! concentration of flavonoids in material entity [Term] id: CDNO:0200270 name: concentration of malvidin in material entity def: "The concentration of malvidin when measured in some material entity." [] synonym: "material entity malvidin concentration" EXACT [] xref: INFOODs: MALVIDIN is_a: CDNO:0200269 ! concentration of flavonoid in material entity [Term] id: CDNO:0200271 name: concentration of kaempferol in material entity def: "The concentration of kaempferol when measured in some material entity." [] synonym: "material entity kaempferol concentration" EXACT [] xref: INFOODs: KAEMF is_a: CDNO:0200269 ! concentration of flavonoid in material entity [Term] id: CDNO:0200272 name: concentration of flavan in material entity def: "The concentration of flavan when measured in some material entity." [] synonym: "material entity flavan concentration" EXACT [] is_a: CDNO:0200269 ! concentration of flavonoid in material entity [Term] id: CDNO:0200273 name: concentration of flavanone in material entity def: "The concentration of flavanone when measured in some material entity." [] synonym: "material entity flavanone concentration" EXACT [] is_a: CDNO:0200269 ! concentration of flavonoid in material entity [Term] id: CDNO:0200274 name: concentration of 6-prenylnaringenin in material entity def: "The concentration of 6-prenylnaringenin when measured in some material entity." [] synonym: "material entity 6-prenylnaringenin concentration" EXACT [] is_a: CDNO:0200273 ! concentration of flavanone in material entity [Term] id: CDNO:0200275 name: concentration of sophoraflavanone B in material entity def: "The concentration of sophoraflavanone B when measured in some material entity." [] synonym: "material entity sophoraflavanone B concentration" EXACT [] is_a: CDNO:0200273 ! concentration of flavanone in material entity [Term] id: CDNO:0200276 name: concentration of eriocitrin in material entity def: "The concentration of eriocitrin when measured in some material entity." [] synonym: "material entity eriocitrin concentration" EXACT [] is_a: CDNO:0200273 ! concentration of flavanone in material entity [Term] id: CDNO:0200277 name: concentration of eriodictyol in material entity def: "The concentration of eriodictyol when measured in some material entity." [] synonym: "material entity eriodictyol concentration" EXACT [] is_a: CDNO:0200273 ! concentration of flavanone in material entity [Term] id: CDNO:0200278 name: concentration of hesperetin in material entity def: "The concentration of hesperetin when measured in some material entity." [] synonym: "material entity hesperetin concentration" EXACT [] xref: INFOODs: HESPT is_a: CDNO:0200273 ! concentration of flavanone in material entity [Term] id: CDNO:0200279 name: concentration of hesperidin in material entity def: "The concentration of hesperidin when measured in some material entity." [] synonym: "material entity hesperidin concentration" EXACT [] xref: INFOODs: HESPD is_a: CDNO:0200273 ! concentration of flavanone in material entity [Term] id: CDNO:0200280 name: concentration of homoeriodictyol in material entity def: "The concentration of homoeriodictyol when measured in some material entity." [] synonym: "material entity homoeriodictyol concentration" EXACT [] is_a: CDNO:0200273 ! concentration of flavanone in material entity [Term] id: CDNO:0200281 name: concentration of 4'-methoxy-5,7-dihydroxyflavanone in material entity def: "The concentration of 4'-methoxy-5,7-dihydroxyflavanone when measured in some material entity." [] synonym: "material entity 4'-methoxy-5,7-dihydroxyflavanone concentration" EXACT [] is_a: CDNO:0200273 ! concentration of flavanone in material entity [Term] id: CDNO:0200282 name: concentration of naringenin in material entity def: "The concentration of naringenin when measured in some material entity." [] synonym: "material entity naringenin concentration" EXACT [] xref: INFOODs: NARING is_a: CDNO:0200273 ! concentration of flavanone in material entity [Term] id: CDNO:0200283 name: concentration of naringin in material entity def: "The concentration of naringin when measured in some material entity." [] synonym: "material entity naringin concentration" EXACT [] xref: INFOODs: NARIN is_a: CDNO:0200273 ! concentration of flavanone in material entity [Term] id: CDNO:0200284 name: concentration of narirutin in material entity def: "The concentration of narirutin when measured in some material entity." [] synonym: "material entity narirutin concentration" EXACT [] xref: INFOODs: NARIR is_a: CDNO:0200273 ! concentration of flavanone in material entity [Term] id: CDNO:0200285 name: concentration of neoeriocitrin in material entity def: "The concentration of neoeriocitrin when measured in some material entity." [] synonym: "material entity neoeriocitrin concentration" EXACT [] is_a: CDNO:0200273 ! concentration of flavanone in material entity [Term] id: CDNO:0200286 name: concentration of neohesperidin in material entity def: "The concentration of neohesperidin when measured in some material entity." [] synonym: "material entity neohesperidin concentration" EXACT [] is_a: CDNO:0200273 ! concentration of flavanone in material entity [Term] id: CDNO:0200287 name: concentration of pinocembrin in material entity def: "The concentration of pinocembrin when measured in some material entity." [] synonym: "material entity pinocembrin concentration" EXACT [] is_a: CDNO:0200273 ! concentration of flavanone in material entity [Term] id: CDNO:0200288 name: concentration of (2S)-poncirin in material entity def: "The concentration of (2S)-poncirin when measured in some material entity." [] synonym: "material entity (2S)-poncirin concentration" EXACT [] is_a: CDNO:0200273 ! concentration of flavanone in material entity [Term] id: CDNO:0200289 name: concentration of sakuranetin in material entity def: "The concentration of sakuranetin when measured in some material entity." [] synonym: "material entity sakuranetin concentration" EXACT [] is_a: CDNO:0200273 ! concentration of flavanone in material entity [Term] id: CDNO:0200290 name: concentration of flavone in material entity def: "The concentration of flavone when measured in some material entity." [] synonym: "material entity flavone concentration" EXACT [] is_a: CDNO:0200269 ! concentration of flavonoid in material entity [Term] id: CDNO:0200291 name: concentration of 6-hydroxyluteolin in material entity def: "The concentration of 6-hydroxyluteolin when measured in some material entity." [] synonym: "material entity 6-hydroxyluteolin concentration" EXACT [] is_a: CDNO:0200290 ! concentration of flavone in material entity [Term] id: CDNO:0200292 name: concentration of 6-hydroxyluteolin 7-O-laminaribioside in material entity def: "The concentration of 6-hydroxyluteolin 7-O-laminaribioside when measured in some material entity." [] synonym: "material entity 6-hydroxyluteolin 7-O-laminaribioside concentration" EXACT [] is_a: CDNO:0200290 ! concentration of flavone in material entity [Term] id: CDNO:0200293 name: concentration of 4',7-dihydroxyflavone in material entity def: "The concentration of 4',7-dihydroxyflavone when measured in some material entity." [] synonym: "material entity 4',7-dihydroxyflavone concentration" EXACT [] is_a: CDNO:0200290 ! concentration of flavone in material entity [Term] id: CDNO:0200294 name: concentration of apigenin in material entity def: "The concentration of apigenin when measured in some material entity." [] synonym: "material entity apigenin concentration" EXACT [] xref: INFOODs: APIGEN is_a: CDNO:0200290 ! concentration of flavone in material entity [Term] id: CDNO:0200295 name: concentration of baicalein in material entity def: "The concentration of baicalein when measured in some material entity." [] synonym: "material entity baicalein concentration" EXACT [] is_a: CDNO:0200290 ! concentration of flavone in material entity [Term] id: CDNO:0200296 name: concentration of chrysin in material entity def: "The concentration of chrysin when measured in some material entity." [] synonym: "material entity chrysin concentration" EXACT [] is_a: CDNO:0200290 ! concentration of flavone in material entity [Term] id: CDNO:0200297 name: concentration of cirsilineol in material entity def: "The concentration of cirsilineol when measured in some material entity." [] synonym: "material entity cirsilineol concentration" EXACT [] is_a: CDNO:0200290 ! concentration of flavone in material entity [Term] id: CDNO:0200298 name: concentration of cirsimaritin in material entity def: "The concentration of cirsimaritin when measured in some material entity." [] synonym: "material entity cirsimaritin concentration" EXACT [] is_a: CDNO:0200290 ! concentration of flavone in material entity [Term] id: CDNO:0200299 name: concentration of diosmin in material entity def: "The concentration of diosmin when measured in some material entity." [] synonym: "material entity diosmin concentration" EXACT [] is_a: CDNO:0200290 ! concentration of flavone in material entity [Term] id: CDNO:0200300 name: concentration of dihydromyricetin in material entity def: "The concentration of dihydromyricetin when measured in some material entity." [] synonym: "material entity dihydromyricetin concentration" EXACT [] is_a: CDNO:0200290 ! concentration of flavone in material entity [Term] id: CDNO:0200301 name: concentration of eupatorin in material entity def: "The concentration of eupatorin when measured in some material entity." [] synonym: "material entity eupatorin concentration" EXACT [] is_a: CDNO:0200290 ! concentration of flavone in material entity [Term] id: CDNO:0200302 name: concentration of gardenin B in material entity def: "The concentration of gardenin B when measured in some material entity." [] synonym: "material entity gardenin B concentration" EXACT [] is_a: CDNO:0200290 ! concentration of flavone in material entity [Term] id: CDNO:0200303 name: concentration of geraldone in material entity def: "The concentration of geraldone when measured in some material entity." [] synonym: "material entity geraldone concentration" EXACT [] is_a: CDNO:0200290 ! concentration of flavone in material entity [Term] id: CDNO:0200304 name: concentration of hispidulin in material entity def: "The concentration of hispidulin when measured in some material entity." [] synonym: "material entity hispidulin concentration" EXACT [] is_a: CDNO:0200290 ! concentration of flavone in material entity [Term] id: CDNO:0200305 name: concentration of isovitexin in material entity def: "The concentration of isovitexin when measured in some material entity." [] synonym: "material entity isovitexin concentration" EXACT [] is_a: CDNO:0200290 ! concentration of flavone in material entity [Term] id: CDNO:0200306 name: concentration of jaceosidin in material entity def: "The concentration of jaceosidin when measured in some material entity." [] synonym: "material entity jaceosidin concentration" EXACT [] is_a: CDNO:0200290 ! concentration of flavone in material entity [Term] id: CDNO:0200307 name: concentration of luteolin in material entity def: "The concentration of luteolin when measured in some material entity." [] synonym: "material entity luteolin concentration" EXACT [] xref: INFOODs: LUTEOL is_a: CDNO:0200290 ! concentration of flavone in material entity [Term] id: CDNO:0200308 name: concentration of luteolin 7-O-Œ≤-D-glucoside(1‚àí) in material entity def: "The concentration of luteolin 7-O-Œ≤-D-glucoside(1‚àí) when measured in some material entity." [] synonym: "material entity luteolin 7-O-Œ≤-D-glucoside(1‚àí) concentration" EXACT [] is_a: CDNO:0200290 ! concentration of flavone in material entity [Term] id: CDNO:0200309 name: concentration of myricitrin in material entity def: "The concentration of myricitrin when measured in some material entity." [] synonym: "material entity myricitrin concentration" EXACT [] is_a: CDNO:0200290 ! concentration of flavone in material entity [Term] id: CDNO:0200310 name: concentration of nobiletin in material entity def: "The concentration of nobiletin when measured in some material entity." [] synonym: "material entity nobiletin concentration" EXACT [] is_a: CDNO:0200290 ! concentration of flavone in material entity [Term] id: CDNO:0200311 name: concentration of quercetin in material entity def: "The concentration of quercetin when measured in some material entity." [] synonym: "material entity quercetin concentration" EXACT [] xref: INFOODs: QUERCE is_a: CDNO:0200290 ! concentration of flavone in material entity [Term] id: CDNO:0200312 name: concentration of apigenin 7-O-neohesperidoside in material entity def: "The concentration of apigenin 7-O-neohesperidoside when measured in some material entity." [] synonym: "material entity apigenin 7-O-neohesperidoside concentration" EXACT [] is_a: CDNO:0200290 ! concentration of flavone in material entity [Term] id: CDNO:0200313 name: concentration of scutellarein in material entity def: "The concentration of scutellarein when measured in some material entity." [] synonym: "material entity scutellarein concentration" EXACT [] is_a: CDNO:0200290 ! concentration of flavone in material entity [Term] id: CDNO:0200314 name: concentration of sinensetin in material entity def: "The concentration of sinensetin when measured in some material entity." [] synonym: "material entity sinensetin concentration" EXACT [] is_a: CDNO:0200290 ! concentration of flavone in material entity [Term] id: CDNO:0200315 name: concentration of tangeretin in material entity def: "The concentration of tangeretin when measured in some material entity." [] synonym: "material entity tangeretin concentration" EXACT [] xref: INFOODs: TANGER is_a: CDNO:0200290 ! concentration of flavone in material entity [Term] id: CDNO:0200316 name: concentration of vitexin in material entity def: "The concentration of vitexin when measured in some material entity." [] synonym: "material entity vitexin concentration" EXACT [] is_a: CDNO:0200290 ! concentration of flavone in material entity [Term] id: CDNO:0200317 name: concentration of dihydroflavanol in material entity def: "The concentration of dihydroflavanol when measured in some material entity." [] synonym: "material entity dihydroflavanol concentration" EXACT [] is_a: CDNO:0200269 ! concentration of flavonoid in material entity [Term] id: CDNO:0200318 name: concentration of hydroxyflavan in material entity def: "The concentration of hydroxyflavan when measured in some material entity." [] synonym: "material entity hydroxyflavan concentration" EXACT [] is_a: CDNO:0200269 ! concentration of flavonoid in material entity [Term] id: CDNO:0200319 name: concentration of catechin in material entity def: "The concentration of catechin when measured in some material entity." [] synonym: "material entity catechin concentration" EXACT [] xref: INFOODs: CATEC xref: INFOODs: CATECT is_a: CDNO:0200318 ! concentration of hydroxyflavan in material entity [Term] id: CDNO:0200320 name: concentration of (+)-catechin 3-O-gallate in material entity def: "The concentration of (+)-catechin 3-O-gallate when measured in some material entity." [] synonym: "material entity (+)-catechin 3-O-gallate concentration" EXACT [] is_a: CDNO:0200319 ! concentration of catechin in material entity [Term] id: CDNO:0200321 name: concentration of (+)-gallocatechin in material entity def: "The concentration of (+)-gallocatechin when measured in some material entity." [] synonym: "material entity (+)-gallocatechin concentration" EXACT [] xref: INFOODs: GALCATEGC is_a: CDNO:0200319 ! concentration of catechin in material entity [Term] id: CDNO:0200322 name: concentration of (-)-epicatechin in material entity def: "The concentration of (-)-epicatechin when measured in some material entity." [] synonym: "material entity (-)-epicatechin concentration" EXACT [] xref: INFOODs: EPICATEC is_a: CDNO:0200319 ! concentration of catechin in material entity [Term] id: CDNO:0200323 name: concentration of (+)-epicatechin in material entity def: "The concentration of (+)-epicatechin when measured in some material entity." [] synonym: "material entity (+)-epicatechin concentration" EXACT [] xref: INFOODs: EPICATEC is_a: CDNO:0200319 ! concentration of catechin in material entity [Term] id: CDNO:0200324 name: concentration of (-)-gallocatechin in material entity def: "The concentration of (-)-gallocatechin when measured in some material entity." [] synonym: "material entity (-)-gallocatechin concentration" EXACT [] xref: INFOODs: GALCATEGC is_a: CDNO:0200319 ! concentration of catechin in material entity [Term] id: CDNO:0200325 name: concentration of (-)-epicatechin-3-O-gallate in material entity def: "The concentration of (-)-epicatechin-3-O-gallate when measured in some material entity." [] synonym: "material entity (-)-epicatechin-3-O-gallate concentration" EXACT [] xref: INFOODs: EPICATECG3 is_a: CDNO:0200319 ! concentration of catechin in material entity [Term] id: CDNO:0200326 name: concentration of (-)-epigallocatechin in material entity def: "The concentration of (-)-epigallocatechin when measured in some material entity." [] synonym: "material entity (-)-epigallocatechin concentration" EXACT [] xref: INFOODs: EPICATEGC is_a: CDNO:0200319 ! concentration of catechin in material entity [Term] id: CDNO:0200327 name: concentration of 3'-O-methylepicatechin in material entity def: "The concentration of 3'-O-methylepicatechin when measured in some material entity." [] synonym: "material entity 3'-O-methylepicatechin concentration" EXACT [] is_a: CDNO:0200319 ! concentration of catechin in material entity [Term] id: CDNO:0200328 name: concentration of 4'-O-methylepigallocatechin-3-O-gallate in material entity def: "The concentration of 4'-O-methylepigallocatechin-3-O-gallate when measured in some material entity." [] synonym: "material entity 4'-O-methylepigallocatechin-3-O-gallate concentration" EXACT [] is_a: CDNO:0200319 ! concentration of catechin in material entity [Term] id: CDNO:0200329 name: concentration of 4'-O-methylepigallocatechin in material entity def: "The concentration of 4'-O-methylepigallocatechin when measured in some material entity." [] synonym: "material entity 4'-O-methylepigallocatechin concentration" EXACT [] is_a: CDNO:0200319 ! concentration of catechin in material entity [Term] id: CDNO:0200331 name: concentration of cinnamtannin A2 in material entity def: "The concentration of cinnamtannin A2 when measured in some material entity." [] synonym: "material entity cinnamtannin A2 concentration" EXACT [] is_a: CDNO:0200224 ! concentration of proanthocyanidin in material entity [Term] id: CDNO:0200332 name: concentration of procyanidin in material entity def: "The concentration of procyanidin when measured in some material entity." [] synonym: "material entity procyanidin concentration" EXACT [] xref: INFOODs: PROCYA is_a: CDNO:0200224 ! concentration of proanthocyanidin in material entity [Term] id: CDNO:0200333 name: concentration of procyanidin B1 in material entity def: "The concentration of procyanidin B1 when measured in some material entity." [] synonym: "material entity procyanidin B1 concentration" EXACT [] is_a: CDNO:0200224 ! concentration of proanthocyanidin in material entity [Term] id: CDNO:0200334 name: concentration of procyanidin B2 in material entity def: "The concentration of procyanidin B2 when measured in some material entity." [] synonym: "material entity procyanidin B2 concentration" EXACT [] is_a: CDNO:0200224 ! concentration of proanthocyanidin in material entity [Term] id: CDNO:0200335 name: concentration of procyanidin B3 in material entity def: "The concentration of procyanidin B3 when measured in some material entity." [] synonym: "material entity procyanidin B3 concentration" EXACT [] is_a: CDNO:0200224 ! concentration of proanthocyanidin in material entity [Term] id: CDNO:0200336 name: concentration of procyanidin B4 in material entity def: "The concentration of procyanidin B4 when measured in some material entity." [] synonym: "material entity procyanidin B4 concentration" EXACT [] is_a: CDNO:0200224 ! concentration of proanthocyanidin in material entity [Term] id: CDNO:0200337 name: concentration of procyanidin B5 in material entity def: "The concentration of procyanidin B5 when measured in some material entity." [] synonym: "material entity procyanidin B5 concentration" EXACT [] is_a: CDNO:0200224 ! concentration of proanthocyanidin in material entity [Term] id: CDNO:0200338 name: concentration of procyanidin B6 in material entity def: "The concentration of procyanidin B6 when measured in some material entity." [] synonym: "material entity procyanidin B6 concentration" EXACT [] is_a: CDNO:0200224 ! concentration of proanthocyanidin in material entity [Term] id: CDNO:0200339 name: concentration of procyanidin C1 in material entity def: "The concentration of procyanidin C1 when measured in some material entity." [] synonym: "material entity procyanidin C1 concentration" EXACT [] is_a: CDNO:0200224 ! concentration of proanthocyanidin in material entity [Term] id: CDNO:0200340 name: concentration of procyanidin C2 in material entity def: "The concentration of procyanidin C2 when measured in some material entity." [] synonym: "material entity procyanidin C2 concentration" EXACT [] is_a: CDNO:0200224 ! concentration of proanthocyanidin in material entity [Term] id: CDNO:0200341 name: concentration of theaflavin in material entity def: "The concentration of theaflavin when measured in some material entity." [] synonym: "material entity theaflavin concentration" EXACT [] is_a: CDNO:0200224 ! concentration of proanthocyanidin in material entity [Term] id: CDNO:0200342 name: concentration of peltogynoid in material entity def: "The concentration of peltogynoid when measured in some material entity." [] synonym: "material entity peltogynoid concentration" EXACT [] is_a: CDNO:0200269 ! concentration of flavonoid in material entity [Term] id: CDNO:0200343 name: concentration of dihydrochalcone in material entity def: "The concentration of dihydrochalcone when measured in some material entity." [] synonym: "material entity dihydrochalcone concentration" EXACT [] is_a: CDNO:0200269 ! concentration of flavonoid in material entity [Term] id: CDNO:0200344 name: concentration of 3-hydroxyphloretin 2'-O-xylosylglucoside in material entity def: "The concentration of 3-hydroxyphloretin 2'-O-xylosylglucoside when measured in some material entity." [] synonym: "material entity 3-hydroxyphloretin 2'-O-xylosylglucoside concentration" EXACT [] is_a: CDNO:0200343 ! concentration of dihydrochalcone in material entity [Term] id: CDNO:0200345 name: concentration of phloretin in material entity def: "The concentration of phloretin when measured in some material entity." [] synonym: "material entity phloretin concentration" EXACT [] is_a: CDNO:0200343 ! concentration of dihydrochalcone in material entity [Term] id: CDNO:0200346 name: concentration of phlorizin in material entity def: "The concentration of phlorizin when measured in some material entity." [] synonym: "material entity phlorizin concentration" EXACT [] is_a: CDNO:0200343 ! concentration of dihydrochalcone in material entity [Term] id: CDNO:0200347 name: concentration of chalcone in material entity def: "The concentration of chalcone when measured in some material entity." [] synonym: "material entity chalcone concentration" EXACT [] is_a: CDNO:0200269 ! concentration of flavonoid in material entity [Term] id: CDNO:0200348 name: concentration of butein in material entity def: "The concentration of butein when measured in some material entity." [] synonym: "material entity butein concentration" EXACT [] is_a: CDNO:0200347 ! concentration of chalcone in material entity [Term] id: CDNO:0200349 name: concentration of xanthohumol in material entity def: "The concentration of xanthohumol when measured in some material entity." [] synonym: "material entity xanthohumol concentration" EXACT [] is_a: CDNO:0200347 ! concentration of chalcone in material entity [Term] id: CDNO:0200350 name: concentration of aurone in material entity def: "The concentration of aurone when measured in some material entity." [] synonym: "material entity aurone concentration" EXACT [] is_a: CDNO:0200269 ! concentration of flavonoid in material entity [Term] id: CDNO:0200351 name: concentration of anthocyanidin in material entity def: "The concentration of anthocyanidin when measured in some material entity." [] synonym: "material entity anthocyanidin concentration" EXACT [] xref: INFOODs: ANTCYAN is_a: CDNO:0200269 ! concentration of flavonoid in material entity [Term] id: CDNO:0200352 name: concentration of cyanidin cation in material entity def: "The concentration of cyanidin cation when measured in some material entity." [] synonym: "material entity cyanidin cation concentration" EXACT [] xref: INFOODs: CYAD is_a: CDNO:0200351 ! concentration of anthocyanidin in material entity [Term] id: CDNO:0200353 name: concentration of cyanidin 3-O-Œ≤-D-galactoside in material entity def: "The concentration of cyanidin 3-O-Œ≤-D-galactoside when measured in some material entity." [] synonym: "material entity cyanidin 3-O-Œ≤-D-galactoside concentration" EXACT [] is_a: CDNO:0200351 ! concentration of anthocyanidin in material entity [Term] id: CDNO:0200354 name: concentration of cyanidin 3-O-rutinoside in material entity def: "The concentration of cyanidin 3-O-rutinoside when measured in some material entity." [] synonym: "material entity cyanidin 3-O-rutinoside concentration" EXACT [] is_a: CDNO:0200351 ! concentration of anthocyanidin in material entity [Term] id: CDNO:0200355 name: concentration of cyanidin 3-O-Œ≤-D-sambubioside in material entity def: "The concentration of cyanidin 3-O-Œ≤-D-sambubioside when measured in some material entity." [] synonym: "material entity cyanidin 3-O-Œ≤-D-sambubioside concentration" EXACT [] is_a: CDNO:0200351 ! concentration of anthocyanidin in material entity [Term] id: CDNO:0200356 name: concentration of Cyanidin 3-O-sophoroside in material entity def: "The concentration of Cyanidin 3-O-sophoroside when measured in some material entity." [] synonym: "material entity Cyanidin 3-O-sophoroside concentration" EXACT [] is_a: CDNO:0200351 ! concentration of anthocyanidin in material entity [Term] id: CDNO:0200357 name: concentration of isopeonidin 3-rutinoside in material entity def: "The concentration of isopeonidin 3-rutinoside when measured in some material entity." [] synonym: "material entity isopeonidin 3-rutinoside concentration" EXACT [] is_a: CDNO:0200351 ! concentration of anthocyanidin in material entity [Term] id: CDNO:0200358 name: concentration of pelargonidin in material entity def: "The concentration of pelargonidin when measured in some material entity." [] synonym: "material entity pelargonidin concentration" EXACT [] is_a: CDNO:0200351 ! concentration of anthocyanidin in material entity [Term] id: CDNO:0200359 name: concentration of pelargonidin 3-O-rutinoside in material entity def: "The concentration of pelargonidin 3-O-rutinoside when measured in some material entity." [] synonym: "material entity pelargonidin 3-O-rutinoside concentration" EXACT [] is_a: CDNO:0200351 ! concentration of anthocyanidin in material entity [Term] id: CDNO:0200360 name: concentration of anthocyanin in material entity def: "The concentration of anthocyanin when measured in some material entity." [] synonym: "material entity anthocyanin concentration" EXACT [] is_a: CDNO:0200269 ! concentration of flavonoid in material entity [Term] id: CDNO:0200361 name: concentration of anthocyanin chlorides in material entity def: "The concentration of anthocyanin chlorides when measured in some material entity." [] synonym: "material entity anthocyanin chlorides concentration" EXACT [] is_a: CDNO:0200360 ! concentration of anthocyanin in material entity [Term] id: CDNO:0200362 name: concentration of cyanidin 3-O-Œ≤-D-galactoside chloride in material entity def: "The concentration of cyanidin 3-O-Œ≤-D-galactoside chloride when measured in some material entity." [] synonym: "material entity cyanidin 3-O-Œ≤-D-galactoside chloride concentration" EXACT [] is_a: CDNO:0200361 ! concentration of anthocyanin chlorides in material entity [Term] id: CDNO:0200363 name: concentration of cyanidin 3-O-rutinoside chloride in material entity def: "The concentration of cyanidin 3-O-rutinoside chloride when measured in some material entity." [] synonym: "material entity cyanidin 3-O-rutinoside chloride concentration" EXACT [] is_a: CDNO:0200361 ! concentration of anthocyanin chlorides in material entity [Term] id: CDNO:0200364 name: concentration of cyanin chloride in material entity def: "The concentration of cyanin chloride when measured in some material entity." [] synonym: "material entity cyanin chloride concentration" EXACT [] is_a: CDNO:0200361 ! concentration of anthocyanin chlorides in material entity [Term] id: CDNO:0200365 name: concentration of pelargonidin 3-O-Œ≤-D-glucoside chloride in material entity def: "The concentration of pelargonidin 3-O-Œ≤-D-glucoside chloride when measured in some material entity." [] synonym: "material entity pelargonidin 3-O-Œ≤-D-glucoside chloride concentration" EXACT [] is_a: CDNO:0200361 ! concentration of anthocyanin chlorides in material entity [Term] id: CDNO:0200366 name: concentration of Œ≤-D-glucoside in material entity def: "The concentration of Œ≤-D-glucoside when measured in some material entity." [] synonym: "material entity Œ≤-D-glucoside concentration" EXACT [] is_a: CDNO:0200360 ! concentration of anthocyanin in material entity [Term] id: CDNO:0200367 name: concentration of delphinidin 3-O-Œ≤-D-glucoside in material entity def: "The concentration of delphinidin 3-O-Œ≤-D-glucoside when measured in some material entity." [] synonym: "material entity delphinidin 3-O-Œ≤-D-glucoside concentration" EXACT [] is_a: CDNO:0200366 ! concentration of Œ≤-D-glucoside in material entity [Term] id: CDNO:0200368 name: concentration of petunidin 3-O-Œ≤-D-glucoside in material entity def: "The concentration of petunidin 3-O-Œ≤-D-glucoside when measured in some material entity." [] synonym: "material entity petunidin 3-O-Œ≤-D-glucoside concentration" EXACT [] is_a: CDNO:0200366 ! concentration of Œ≤-D-glucoside in material entity [Term] id: CDNO:0200369 name: concentration of malvidin 3-O-Œ≤-D-glucoside in material entity def: "The concentration of malvidin 3-O-Œ≤-D-glucoside when measured in some material entity." [] synonym: "material entity malvidin 3-O-Œ≤-D-glucoside concentration" EXACT [] is_a: CDNO:0200366 ! concentration of Œ≤-D-glucoside in material entity [Term] id: CDNO:0200370 name: concentration of isoflavonoid in material entity def: "The concentration of isoflavonoid when measured in some material entity." [] synonym: "material entity isoflavonoid concentration" EXACT [] xref: INFOODs: ISOFLVND is_a: CDNO:0200268 ! concentration of flavonoids in material entity [Term] id: CDNO:0200371 name: concentration of isoflavans in material entity def: "The concentration of isoflavans when measured in some material entity." [] synonym: "material entity isoflavans concentration" EXACT [] is_a: CDNO:0200370 ! concentration of isoflavonoid in material entity [Term] id: CDNO:0200372 name: concentration of isoflavanone in material entity def: "The concentration of isoflavanone when measured in some material entity." [] synonym: "material entity isoflavanone concentration" EXACT [] is_a: CDNO:0200370 ! concentration of isoflavonoid in material entity [Term] id: CDNO:0200373 name: concentration of isoflavones in material entity def: "The concentration of isoflavones when measured in some material entity." [] synonym: "material entity isoflavones concentration" EXACT [] is_a: CDNO:0200370 ! concentration of isoflavonoid in material entity [Term] id: CDNO:0200374 name: concentration of hydroxyisoflavone in material entity def: "The concentration of hydroxyisoflavone when measured in some material entity." [] synonym: "material entity hydroxyisoflavone concentration" EXACT [] is_a: CDNO:0200370 ! concentration of isoflavonoid in material entity [Term] id: CDNO:0200375 name: concentration of daidzein in material entity def: "The concentration of daidzein when measured in some material entity." [] synonym: "material entity daidzein concentration" EXACT [] xref: INFOODs:DDZEIN is_a: CDNO:0200374 ! concentration of hydroxyisoflavone in material entity [Term] id: CDNO:0200376 name: concentration of genistein in material entity def: "The concentration of genistein when measured in some material entity." [] synonym: "material entity genistein concentration" EXACT [] xref: INFOODs: GNSTEIN is_a: CDNO:0200374 ! concentration of hydroxyisoflavone in material entity [Term] id: CDNO:0200377 name: concentration of glycitein in material entity def: "The concentration of glycitein when measured in some material entity." [] synonym: "material entity glycitein concentration" EXACT [] xref: INFOODs: GLYCTEIN is_a: CDNO:0200374 ! concentration of hydroxyisoflavone in material entity [Term] id: CDNO:0200378 name: concentration of glucoside in material entity def: "The concentration of glucoside when measured in some material entity." [] synonym: "material entity glucoside concentration" EXACT [] is_a: CDNO:0200370 ! concentration of isoflavonoid in material entity [Term] id: CDNO:0200379 name: concentration of daidzein 7-O-Œ≤-D-glucoside in material entity def: "The concentration of daidzein 7-O-Œ≤-D-glucoside when measured in some material entity." [] synonym: "material entity daidzein 7-O-Œ≤-D-glucoside concentration" EXACT [] is_a: CDNO:0200378 ! concentration of glucoside in material entity [Term] id: CDNO:0200380 name: concentration of genistein 7-O-Œ≤-D-glucoside in material entity def: "The concentration of genistein 7-O-Œ≤-D-glucoside when measured in some material entity." [] synonym: "material entity genistein 7-O-Œ≤-D-glucoside concentration" EXACT [] xref: INFOODs: GNSTIN is_a: CDNO:0200378 ! concentration of glucoside in material entity [Term] id: CDNO:0200381 name: concentration of glycitin in material entity def: "The concentration of glycitin when measured in some material entity." [] synonym: "material entity glycitin concentration" EXACT [] xref: INFOODs: GLYCTN is_a: CDNO:0200378 ! concentration of glucoside in material entity [Term] id: CDNO:0200382 name: concentration of glycosyloxyisoflavone in material entity def: "The concentration of glycosyloxyisoflavone when measured in some material entity." [] synonym: "material entity glycosyloxyisoflavone concentration" EXACT [] is_a: CDNO:0200370 ! concentration of isoflavonoid in material entity [Term] id: CDNO:0200383 name: concentration of malonyldaidzin in material entity def: "The concentration of malonyldaidzin when measured in some material entity." [] synonym: "material entity malonyldaidzin concentration" EXACT [] xref: INFOODs: DAIDZNM is_a: CDNO:0200382 ! concentration of glycosyloxyisoflavone in material entity [Term] id: CDNO:0200384 name: concentration of malonylgenistin in material entity def: "The concentration of malonylgenistin when measured in some material entity." [] synonym: "material entity malonylgenistin concentration" EXACT [] xref: INFOODs: GNSTINM is_a: CDNO:0200382 ! concentration of glycosyloxyisoflavone in material entity [Term] id: CDNO:0200385 name: concentration of malonylglycitin in material entity def: "The concentration of malonylglycitin when measured in some material entity." [] synonym: "material entity malonylglycitin concentration" EXACT [] xref: INFOODs: GLYCTNM is_a: CDNO:0200382 ! concentration of glycosyloxyisoflavone in material entity [Term] id: CDNO:0200386 name: concentration of glycitein 7-(6-O-acetyl-Œ≤-D-glucoside) in material entity def: "The concentration of glycitein 7-(6-O-acetyl-Œ≤-D-glucoside) when measured in some material entity." [] synonym: "material entity glycitein 7-(6-O-acetyl-Œ≤-D-glucoside) concentration" EXACT [] xref: INFOODs: GLYCTNA is_a: CDNO:0200382 ! concentration of glycosyloxyisoflavone in material entity [Term] id: CDNO:0200387 name: concentration of rotenoid in material entity def: "The concentration of rotenoid when measured in some material entity." [] synonym: "material entity rotenoid concentration" EXACT [] is_a: CDNO:0200370 ! concentration of isoflavonoid in material entity [Term] id: CDNO:0200388 name: concentration of coumestans in material entity def: "The concentration of coumestans when measured in some material entity." [] synonym: "material entity coumestans concentration" EXACT [] is_a: CDNO:0200370 ! concentration of isoflavonoid in material entity [Term] id: CDNO:0200389 name: concentration of coumestan in material entity def: "The concentration of coumestan when measured in some material entity." [] synonym: "material entity coumestan concentration" EXACT [] is_a: CDNO:0200388 ! concentration of coumestans in material entity [Term] id: CDNO:0200390 name: concentration of coumestrol in material entity def: "The concentration of coumestrol when measured in some material entity." [] synonym: "material entity coumestrol concentration" EXACT [] xref: INFOODs: COUMEST is_a: CDNO:0200388 ! concentration of coumestans in material entity [Term] id: CDNO:0200391 name: concentration of 3-arylcoumarin in material entity def: "The concentration of 3-arylcoumarin when measured in some material entity." [] synonym: "material entity 3-arylcoumarin concentration" EXACT [] is_a: CDNO:0200370 ! concentration of isoflavonoid in material entity [Term] id: CDNO:0200392 name: concentration of pterocarpans in material entity def: "The concentration of pterocarpans when measured in some material entity." [] synonym: "material entity pterocarpans concentration" EXACT [] is_a: CDNO:0200370 ! concentration of isoflavonoid in material entity [Term] id: CDNO:0200393 name: concentration of pterocarpan in material entity def: "The concentration of pterocarpan when measured in some material entity." [] synonym: "material entity pterocarpan concentration" EXACT [] is_a: CDNO:0200392 ! concentration of pterocarpans in material entity [Term] id: CDNO:0200394 name: concentration of (‚àí)-phaseolin in material entity def: "The concentration of (‚àí)-phaseolin when measured in some material entity." [] synonym: "material entity (‚àí)-phaseolin concentration" EXACT [] is_a: CDNO:0200392 ! concentration of pterocarpans in material entity [Term] id: CDNO:0200395 name: concentration of (+)-pisatin in material entity def: "The concentration of (+)-pisatin when measured in some material entity." [] synonym: "material entity (+)-pisatin concentration" EXACT [] is_a: CDNO:0200392 ! concentration of pterocarpans in material entity [Term] id: CDNO:0200396 name: concentration of neoflavonoid in material entity def: "The concentration of neoflavonoid when measured in some material entity." [] synonym: "material entity neoflavonoid concentration" EXACT [] is_a: CDNO:0200268 ! concentration of flavonoids in material entity [Term] id: CDNO:0200397 name: concentration of biflavonoid in material entity def: "The concentration of biflavonoid when measured in some material entity." [] synonym: "material entity biflavonoid concentration" EXACT [] is_a: CDNO:0200268 ! concentration of flavonoids in material entity [Term] id: CDNO:0200398 name: concentration of phenylpropanoid in material entity def: "The concentration of phenylpropanoid when measured in some material entity." [] synonym: "material entity phenylpropanoid concentration" EXACT [] is_a: CDNO:0200215 ! concentration of plant secondary metabolite in material entity [Term] id: CDNO:0200399 name: concentration of lignan in material entity def: "The concentration of lignan when measured in some material entity." [] synonym: "material entity lignan concentration" EXACT [] xref: INFOODs: LIGNANS is_a: CDNO:0200398 ! concentration of phenylpropanoid in material entity [Term] id: CDNO:0200400 name: concentration of 3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one in material entity def: "The concentration of 3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one when measured in some material entity." [] synonym: "material entity 3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one concentration" EXACT [] is_a: CDNO:0200399 ! concentration of lignan in material entity [Term] id: CDNO:0200401 name: concentration of neolignan in material entity def: "The concentration of neolignan when measured in some material entity." [] synonym: "material entity neolignan concentration" EXACT [] is_a: CDNO:0200398 ! concentration of phenylpropanoid in material entity [Term] id: CDNO:0200402 name: concentration of lignin in material entity def: "The concentration of lignin when measured in some material entity." [] synonym: "material entity lignin concentration" EXACT [] xref: INFOODs: LIGN is_a: CDNO:0200398 ! concentration of phenylpropanoid in material entity [Term] id: CDNO:0200403 name: concentration of Melanin in material entity def: "The concentration of Melanin when measured in some material entity." [] synonym: "material entity Melanin concentration" EXACT [] is_a: CDNO:0200215 ! concentration of plant secondary metabolite in material entity [Term] id: CDNO:0200404 name: concentration of catechol melanin in material entity def: "The concentration of catechol melanin when measured in some material entity." [] synonym: "material entity catechol melanin concentration" EXACT [] is_a: CDNO:0200403 ! concentration of Melanin in material entity [Term] id: CDNO:0200405 name: concentration of allomelanin in material entity def: "The concentration of allomelanin when measured in some material entity." [] synonym: "material entity allomelanin concentration" EXACT [] is_a: CDNO:0200404 ! concentration of catechol melanin in material entity [Term] id: CDNO:0200406 name: concentration of terpenoid in material entity def: "The concentration of terpenoid when measured in some material entity." [] synonym: "material entity terpenoid concentration" EXACT [] is_a: CDNO:0200215 ! concentration of plant secondary metabolite in material entity is_a: CDNO:0200520 ! concentration of isoprenoid in material entity [Term] id: CDNO:0200407 name: concentration of monoterpenoid in material entity def: "The concentration of monoterpenoid when measured in some material entity." [] synonym: "material entity monoterpenoid concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0200408 name: concentration of sesquiterpoid in material entity def: "The concentration of sesquiterpoid when measured in some material entity." [] synonym: "material entity sesquiterpoid concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0200409 name: concentration of diterpenoid in material entity def: "The concentration of diterpenoid when measured in some material entity." [] synonym: "material entity diterpenoid concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0200410 name: concentration of xanthophyll in material entity def: "The concentration of xanthophyll when measured in some material entity." [] synonym: "material entity xanthophyll concentration" EXACT [] is_a: CDNO:0200196 ! concentration of carotenoid in material entity [Term] id: CDNO:0200411 name: concentration of zeaxanthin in material entity def: "The concentration of zeaxanthin when measured in some material entity." [] synonym: "material entity zeaxanthin concentration" EXACT [] xref: INFOODs: ZEA xref: USDA_NDB: 1119 is_a: CDNO:0200410 ! concentration of xanthophyll in material entity [Term] id: CDNO:0200412 name: concentration of Œ±-cryptoxanthin in material entity def: "The concentration of Œ±-cryptoxanthin when measured in some material entity." [] synonym: "material entity Œ±-cryptoxanthin concentration" EXACT [] xref: INFOODs: CRYPXA xref: USDA_NDB: 2032 is_a: CDNO:0200410 ! concentration of xanthophyll in material entity [Term] id: CDNO:0200413 name: concentration of Œ≤-cryptoxanthin in material entity def: "The concentration of Œ≤-cryptoxanthin when measured in some material entity." [] synonym: "material entity Œ≤-cryptoxanthin concentration" EXACT [] xref: USDA_NDB: 1120 is_a: CDNO:0200410 ! concentration of xanthophyll in material entity [Term] id: CDNO:0200414 name: concentration of lutein in material entity def: "The concentration of lutein when measured in some material entity." [] synonym: "material entity lutein concentration" EXACT [] xref: INFOODs: LUTN xref: USDA_NDB: 1121 is_a: CDNO:0200410 ! concentration of xanthophyll in material entity [Term] id: CDNO:0200415 name: concentration of phytoene in material entity def: "The concentration of phytoene when measured in some material entity." [] synonym: "material entity phytoene concentration" EXACT [] xref: USDA_NDB: 1116 is_a: CDNO:0200410 ! concentration of xanthophyll in material entity [Term] id: CDNO:0200416 name: concentration of neoxanthin in material entity def: "The concentration of neoxanthin when measured in some material entity." [] synonym: "material entity neoxanthin concentration" EXACT [] xref: INFOODs: NEOX is_a: CDNO:0200410 ! concentration of xanthophyll in material entity [Term] id: CDNO:0200417 name: concentration of violaxanthin in material entity def: "The concentration of violaxanthin when measured in some material entity." [] synonym: "material entity violaxanthin concentration" EXACT [] xref: INFOODs: VIOLX is_a: CDNO:0200410 ! concentration of xanthophyll in material entity [Term] id: CDNO:0200418 name: concentration of lycopene in material entity def: "The concentration of lycopene when measured in some material entity." [] synonym: "material entity lycopene concentration" EXACT [] xref: INFOODs: LYCPN xref: USDA_NDB: 1122 is_a: CDNO:0200196 ! concentration of carotenoid in material entity [Term] id: CDNO:0200419 name: concentration of 7,7',9,9'-tetra-cis-lycopene in material entity def: "The concentration of 7,7',9,9'-tetra-cis-lycopene when measured in some material entity." [] synonym: "material entity 7,7',9,9'-tetra-cis-lycopene concentration" EXACT [] xref: USDA_NDB: 1160 is_a: CDNO:0200418 ! concentration of lycopene in material entity [Term] id: CDNO:0200420 name: concentration of retinol in material entity def: "The concentration of retinol when measured in some material entity." [] synonym: "material entity retinol concentration" EXACT [] xref: INFOODs: RETOL xref: USDA_NDB: 1105 is_a: CDNO:0200409 ! concentration of diterpenoid in material entity [Term] id: CDNO:0200421 name: concentration of triterpenoid in material entity def: "The concentration of triterpenoid when measured in some material entity." [] synonym: "material entity triterpenoid concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0200422 name: concentration of organic acid in material entity def: "The concentration of organic acid when measured in some material entity." [] synonym: "material entity organic acid concentration" EXACT [] xref: INFOODs: OA is_a: CDNO:0200215 ! concentration of plant secondary metabolite in material entity [Term] id: CDNO:0200423 name: concentration of acetic acid in material entity def: "The concentration of acetic acid when measured in some material entity." [] synonym: "material entity acetic acid concentration" EXACT [] xref: INFOODs: ACEAC xref: USDA_NDB: 1026 is_a: CDNO:0200422 ! concentration of organic acid in material entity [Term] id: CDNO:0200424 name: concentration of citric acid in material entity def: "The concentration of citric acid when measured in some material entity." [] synonym: "material entity citric acid concentration" EXACT [] xref: INFOODs: CITAC xref: USDA_NDB: 1032 is_a: CDNO:0200422 ! concentration of organic acid in material entity [Term] id: CDNO:0200425 name: concentration of 2-hydroxypropanoic acid in material entity def: "The concentration of 2-hydroxypropanoic acid when measured in some material entity." [] synonym: "material entity 2-hydroxypropanoic acid concentration" EXACT [] xref: INFOODs: LACAC xref: USDA_NDB: 1038 is_a: CDNO:0200422 ! concentration of organic acid in material entity [Term] id: CDNO:0200426 name: concentration of (R)-lactic acid in material entity def: "The concentration of (R)-lactic acid when measured in some material entity." [] synonym: "material entity (R)-lactic acid concentration" EXACT [] xref: INFOODs: LACACD xref: USDA_NDB: 1038 is_a: CDNO:0200425 ! concentration of 2-hydroxypropanoic acid in material entity [Term] id: CDNO:0200427 name: concentration of (S)-lactic acid in material entity def: "The concentration of (S)-lactic acid when measured in some material entity." [] synonym: "material entity (S)-lactic acid concentration" EXACT [] xref: INFOODs: LACACL xref: USDA_NDB: 1038 is_a: CDNO:0200425 ! concentration of 2-hydroxypropanoic acid in material entity [Term] id: CDNO:0200428 name: concentration of malic acid in material entity def: "The concentration of malic acid when measured in some material entity." [] synonym: "material entity malic acid concentration" EXACT [] xref: INFOODs: MALAC xref: USDA_NDB: 1039 is_a: CDNO:0200422 ! concentration of organic acid in material entity [Term] id: CDNO:0200429 name: concentration of malonic¬†acid in material entity def: "The concentration of malonic¬†acid when measured in some material entity." [] synonym: "material entity malonic¬†acid concentration" EXACT [] is_a: CDNO:0200422 ! concentration of organic acid in material entity [Term] id: CDNO:0200430 name: concentration of ascorbic acid in material entity def: "The concentration of ascorbic acid when measured in some material entity." [] synonym: "material entity ascorbic acid concentration" EXACT [] is_a: CDNO:0200422 ! concentration of organic acid in material entity [Term] id: CDNO:0200431 name: concentration of L-dehydroascorbic acid in material entity def: "The concentration of L-dehydroascorbic acid when measured in some material entity." [] synonym: "material entity L-dehydroascorbic acid concentration" EXACT [] is_a: CDNO:0200430 ! concentration of ascorbic acid in material entity [Term] id: CDNO:0200432 name: concentration of oxalic acid in material entity def: "The concentration of oxalic acid when measured in some material entity." [] synonym: "material entity oxalic acid concentration" EXACT [] xref: INFOODs: OXALAC is_a: CDNO:0200422 ! concentration of organic acid in material entity [Term] id: CDNO:0200433 name: concentration of myo-inositol hexakisphosphate in material entity def: "The concentration of myo-inositol hexakisphosphate when measured in some material entity." [] synonym: "material entity myo-inositol hexakisphosphate concentration" EXACT [] xref: INFOODs: IP6 is_a: CDNO:0200422 ! concentration of organic acid in material entity is_a: CDNO:0200585 ! concentration of organic phosphate compound in material entity [Term] id: CDNO:0200434 name: concentration of quinic acid in material entity def: "The concentration of quinic acid when measured in some material entity." [] synonym: "material entity quinic acid concentration" EXACT [] xref: INFOODs: QUINAC is_a: CDNO:0200422 ! concentration of organic acid in material entity [Term] id: CDNO:0200435 name: concentration of pyruvic acid in material entity def: "The concentration of pyruvic acid when measured in some material entity." [] synonym: "material entity pyruvic acid concentration" EXACT [] xref: INFOODs: PYRAC is_a: CDNO:0200422 ! concentration of organic acid in material entity [Term] id: CDNO:0200436 name: concentration of shikimic acid in material entity def: "The concentration of shikimic acid when measured in some material entity." [] synonym: "material entity shikimic acid concentration" EXACT [] xref: INFOODs: SHIKAC is_a: CDNO:0200422 ! concentration of organic acid in material entity [Term] id: CDNO:0200437 name: concentration of succinic acid in material entity def: "The concentration of succinic acid when measured in some material entity." [] synonym: "material entity succinic acid concentration" EXACT [] xref: INFOODs: SUCAC is_a: CDNO:0200422 ! concentration of organic acid in material entity [Term] id: CDNO:0200438 name: concentration of tartaric acid in material entity def: "The concentration of tartaric acid when measured in some material entity." [] synonym: "material entity tartaric acid concentration" EXACT [] xref: INFOODs: TARAC is_a: CDNO:0200422 ! concentration of organic acid in material entity [Term] id: CDNO:0200439 name: concentration of isocitric acid in material entity def: "The concentration of isocitric acid when measured in some material entity." [] synonym: "material entity isocitric acid concentration" EXACT [] xref: INFOODs: ISOCAC is_a: CDNO:0200422 ! concentration of organic acid in material entity [Term] id: CDNO:0200440 name: concentration of oxaloacetic acid in material entity def: "The concentration of oxaloacetic acid when measured in some material entity." [] synonym: "material entity oxaloacetic acid concentration" EXACT [] xref: INFOODs: OXACAC is_a: CDNO:0200422 ! concentration of organic acid in material entity [Term] id: CDNO:0200441 name: concentration of inositol in material entity def: "The concentration of inositol when measured in some material entity." [] synonym: "material entity inositol concentration" EXACT [] xref: INFOODs: INOTL xref: USDA_NDB: 1181 is_a: CDNO:0200215 ! concentration of plant secondary metabolite in material entity [Term] id: CDNO:0200442 name: concentration of taurine in material entity def: "The concentration of taurine when measured in some material entity." [] synonym: "material entity taurine concentration" EXACT [] xref: USDA_NDB: 1234 is_a: CDNO:0200215 ! concentration of plant secondary metabolite in material entity [Term] id: CDNO:0200443 name: concentration of glycine betaine in material entity def: "The concentration of glycine betaine when measured in some material entity." [] synonym: "material entity glycine betaine concentration" EXACT [] xref: INFOODs: BETN is_a: CDNO:0200215 ! concentration of plant secondary metabolite in material entity [Term] id: CDNO:0200444 name: concentration of polyol in material entity def: "The concentration of polyol when measured in some material entity." [] synonym: "material entity polyol concentration" EXACT [] xref: INFOODs: POLYL is_a: CDNO:0200005 ! concentration of carbohydrate in material entity is_a: CDNO:0200215 ! concentration of plant secondary metabolite in material entity [Term] id: CDNO:0200445 name: concentration of mannitol in material entity def: "The concentration of mannitol when measured in some material entity." [] synonym: "material entity mannitol concentration" EXACT [] xref: INFOODs: MANTL is_a: CDNO:0200444 ! concentration of polyol in material entity is_a: CDNO:0200705 ! concentration of polyol in material entity [Term] id: CDNO:0200446 name: concentration of xylitol in material entity def: "The concentration of xylitol when measured in some material entity." [] synonym: "material entity xylitol concentration" EXACT [] xref: INFOODs: XYLTL xref: USDA_NDB: 1078 is_a: CDNO:0200444 ! concentration of polyol in material entity is_a: CDNO:0200705 ! concentration of polyol in material entity [Term] id: CDNO:0200447 name: concentration of glucitol in material entity def: "The concentration of glucitol when measured in some material entity." [] synonym: "material entity glucitol concentration" EXACT [] is_a: CDNO:0200444 ! concentration of polyol in material entity is_a: CDNO:0200705 ! concentration of polyol in material entity [Term] id: CDNO:0200448 name: concentration of choline in material entity def: "The concentration of choline when measured in some material entity." [] synonym: "material entity choline concentration" EXACT [] xref: INFOODs: CHOLN xref: INFOODs: CHOLNF xref: USDA_NDB: 1180 xref: USDA_NDB: 1194 is_a: CDNO:0200215 ! concentration of plant secondary metabolite in material entity [Term] id: CDNO:0200449 name: concentration of polyunsaturated fatty acid in material entity def: "The concentration of polyunsaturated fatty acid when measured in some material entity." [] synonym: "material entity polyunsaturated fatty acid concentration" EXACT [] xref: INFOODs: FAPU xref: INFOODs: FAPULC xref: USDA_NDB: 1293 is_a: CDNO:0200465 ! concentration of fatty acid in material entity [Term] id: CDNO:0200450 name: concentration of glucomannan in material entity def: "The concentration of glucomannan when measured in some material entity." [] synonym: "material entity glucomannan concentration" EXACT [] xref: INFOODs: GLUMN xref: INFOODs: GLUMNM is_a: CDNO:0200010 ! concentration of hemicellulose in material entity [Term] id: CDNO:0200451 name: concentration of glycerol in material entity def: "The concentration of glycerol when measured in some material entity." [] synonym: "material entity glycerol concentration" EXACT [] xref: INFOODs: GLYRL is_a: CDNO:0200444 ! concentration of polyol in material entity is_a: CDNO:0200705 ! concentration of polyol in material entity [Term] id: CDNO:0200452 name: concentration of triglyceride in material entity def: "The concentration of triglyceride when measured in some material entity." [] synonym: "material entity triglyceride concentration" EXACT [] is_a: CDNO:0200068 ! concentration of lipid in material entity [Term] id: CDNO:0200453 name: concentration of xyloglucan in material entity def: "The concentration of xyloglucan when measured in some material entity." [] synonym: "material entity xyloglucan concentration" EXACT [] is_a: CDNO:0200010 ! concentration of hemicellulose in material entity [Term] id: CDNO:0200454 name: concentration of arabinan in material entity def: "The concentration of arabinan when measured in some material entity." [] synonym: "material entity arabinan concentration" EXACT [] xref: INFOODs: ARAN is_a: CDNO:0200006 ! concentration of polysaccharide in material entity [Term] id: CDNO:0200455 name: concentration of galacturonan in material entity def: "The concentration of galacturonan when measured in some material entity." [] synonym: "material entity galacturonan concentration" EXACT [] is_a: CDNO:0200006 ! concentration of polysaccharide in material entity [Term] id: CDNO:0200456 name: concentration of monounsaturated fatty acid in material entity def: "The concentration of monounsaturated fatty acid when measured in some material entity." [] synonym: "material entity monounsaturated fatty acid concentration" EXACT [] xref: USDA_NDB: 1292 is_a: CDNO:0200465 ! concentration of fatty acid in material entity [Term] id: CDNO:0200457 name: concentration of rhamnogalacturonan in material entity def: "The concentration of rhamnogalacturonan when measured in some material entity." [] synonym: "material entity rhamnogalacturonan concentration" EXACT [] is_a: CDNO:0200455 ! concentration of galacturonan in material entity [Term] id: CDNO:0200458 name: concentration of saturated fatty acid in material entity def: "The concentration of saturated fatty acid when measured in some material entity." [] synonym: "material entity saturated fatty acid concentration" EXACT [] xref: INFOODs: FASAT xref: USDA_NDB: 1258 is_a: CDNO:0200465 ! concentration of fatty acid in material entity [Term] id: CDNO:0200459 name: concentration of galactomannan in material entity def: "The concentration of galactomannan when measured in some material entity." [] synonym: "material entity galactomannan concentration" EXACT [] xref: INFOODs: GALMN xref: INFOODs: GALMNM is_a: CDNO:0200006 ! concentration of polysaccharide in material entity [Term] id: CDNO:0200460 name: concentration of amylopectin in material entity def: "The concentration of amylopectin when measured in some material entity." [] synonym: "material entity amylopectin concentration" EXACT [] xref: INFOODs: AMYP is_a: CDNO:0200006 ! concentration of polysaccharide in material entity [Term] id: CDNO:0200461 name: concentration of amylose in material entity def: "The concentration of amylose when measured in some material entity." [] synonym: "material entity amylose concentration" EXACT [] xref: INFOODs: AMYS is_a: CDNO:0200006 ! concentration of polysaccharide in material entity [Term] id: CDNO:0200462 name: concentration of arabinoxylan in material entity def: "The concentration of arabinoxylan when measured in some material entity." [] synonym: "material entity arabinoxylan concentration" EXACT [] is_a: CDNO:0200010 ! concentration of hemicellulose in material entity [Term] id: CDNO:0200463 name: concentration of mannan in material entity def: "The concentration of mannan when measured in some material entity." [] synonym: "material entity mannan concentration" EXACT [] xref: INFOODs: MANN is_a: CDNO:0200010 ! concentration of hemicellulose in material entity [Term] id: CDNO:0200464 name: concentration of amino acid in material entity def: "The concentration of amino acid when measured in some material entity." [] synonym: "material entity amino acid concentration" EXACT [] is_a: CDNO:0200422 ! concentration of organic acid in material entity [Term] id: CDNO:0200465 name: concentration of fatty acid in material entity def: "The concentration of fatty acid when measured in some material entity." [] synonym: "material entity fatty acid concentration" EXACT [] is_a: CDNO:0200068 ! concentration of lipid in material entity [Term] id: CDNO:0200466 name: concentration of galactan in material entity def: "The concentration of galactan when measured in some material entity." [] synonym: "material entity galactan concentration" EXACT [] xref: INFOODs: GALTN is_a: CDNO:0200006 ! concentration of polysaccharide in material entity [Term] id: CDNO:0200467 name: concentration of xylan in material entity def: "The concentration of xylan when measured in some material entity." [] synonym: "material entity xylan concentration" EXACT [] xref: INFOODs: XYLN is_a: CDNO:0200010 ! concentration of hemicellulose in material entity [Term] id: CDNO:0200468 name: concentration of glucan in material entity def: "The concentration of glucan when measured in some material entity." [] synonym: "material entity glucan concentration" EXACT [] is_a: CDNO:0200006 ! concentration of polysaccharide in material entity [Term] id: CDNO:0200469 name: concentration of amylopectin derived from starch in material entity def: "The concentration of amylopectin derived from starch when measured in some material entity." [] synonym: "material entity amylopectin derived from starch concentration" EXACT [] xref: INFOODs: AMYP is_a: CDNO:0200460 ! concentration of amylopectin in material entity [Term] id: CDNO:0200470 name: concentration of amylose derived from starch in material entity def: "The concentration of amylose derived from starch when measured in some material entity." [] synonym: "material entity amylose derived from starch concentration" EXACT [] xref: INFOODs: AMYS is_a: CDNO:0200461 ! concentration of amylose in material entity [Term] id: CDNO:0200471 name: concentration of galacturonan derived from pectin in material entity def: "The concentration of galacturonan derived from pectin when measured in some material entity." [] synonym: "material entity galacturonan derived from pectin concentration" EXACT [] is_a: CDNO:0200455 ! concentration of galacturonan in material entity [Term] id: CDNO:0200472 name: concentration of rhamnogalacturonan derived from pectin in material entity def: "The concentration of rhamnogalacturonan derived from pectin when measured in some material entity." [] synonym: "material entity rhamnogalacturonan derived from pectin concentration" EXACT [] is_a: CDNO:0200457 ! concentration of rhamnogalacturonan in material entity is_a: CDNO:0200471 ! concentration of galacturonan derived from pectin in material entity [Term] id: CDNO:0200473 name: concentration of mannan derived from hemicellulose in material entity def: "The concentration of mannan derived from hemicellulose when measured in some material entity." [] synonym: "material entity mannan derived from hemicellulose concentration" EXACT [] xref: INFOODs: MANN is_a: CDNO:0200463 ! concentration of mannan in material entity [Term] id: CDNO:0200474 name: concentration of xylan derived from hemicellulose in material entity def: "The concentration of xylan derived from hemicellulose when measured in some material entity." [] synonym: "material entity xylan derived from hemicellulose concentration" EXACT [] xref: INFOODs: XYLN is_a: CDNO:0200467 ! concentration of xylan in material entity [Term] id: CDNO:0200475 name: concentration of xyloglucan derived from hemicellulose in material entity def: "The concentration of xyloglucan derived from hemicellulose when measured in some material entity." [] synonym: "material entity xyloglucan derived from hemicellulose concentration" EXACT [] is_a: CDNO:0200453 ! concentration of xyloglucan in material entity [Term] id: CDNO:0200476 name: concentration of glucomannan derived from hemicellulose in material entity def: "The concentration of glucomannan derived from hemicellulose when measured in some material entity." [] synonym: "material entity glucomannan derived from hemicellulose concentration" EXACT [] xref: INFOODs: GLUMNM is_a: CDNO:0200450 ! concentration of glucomannan in material entity [Term] id: CDNO:0200477 name: concentration of arabinoxylan derived from hemicellulose in material entity def: "The concentration of arabinoxylan derived from hemicellulose when measured in some material entity." [] synonym: "material entity arabinoxylan derived from hemicellulose concentration" EXACT [] is_a: CDNO:0200462 ! concentration of arabinoxylan in material entity [Term] id: CDNO:0200478 name: concentration of fructan derived from hemicellulose in material entity def: "The concentration of fructan derived from hemicellulose when measured in some material entity." [] synonym: "material entity fructan derived from hemicellulose concentration" EXACT [] xref: INFOODs: FRUTN is_a: CDNO:0200039 ! concentration of fructan in material entity [Term] id: CDNO:0200479 name: concentration of arabinan derived from hemicellulose in material entity def: "The concentration of arabinan derived from hemicellulose when measured in some material entity." [] synonym: "material entity arabinan derived from hemicellulose concentration" EXACT [] xref: INFOODs: ARAN is_a: CDNO:0200454 ! concentration of arabinan in material entity [Term] id: CDNO:0200480 name: concentration of galactomannan derived from hemicellulose in material entity def: "The concentration of galactomannan derived from hemicellulose when measured in some material entity." [] synonym: "material entity galactomannan derived from hemicellulose concentration" EXACT [] xref: INFOODs: GALMN is_a: CDNO:0200459 ! concentration of galactomannan in material entity [Term] id: CDNO:0200481 name: concentration of galactan derived from hemicellulose in material entity def: "The concentration of galactan derived from hemicellulose when measured in some material entity." [] synonym: "material entity galactan derived from hemicellulose concentration" EXACT [] xref: INFOODs: GALTN is_a: CDNO:0200466 ! concentration of galactan in material entity [Term] id: CDNO:0200482 name: concentration of glucose derived from amylopectin derived from starch in material entity def: "The concentration of glucose derived from amylopectin derived from starch when measured in some material entity." [] synonym: "material entity glucose derived from amylopectin derived from starch concentration" EXACT [] xref: INFOODs: GLUS xref: USDA_NDB: 1011 is_a: CDNO:0200013 ! concentration of glucose in material entity [Term] id: CDNO:0200483 name: concentration of glucose derived from amylose derived from starch in material entity def: "The concentration of glucose derived from amylose derived from starch when measured in some material entity." [] synonym: "material entity glucose derived from amylose derived from starch concentration" EXACT [] xref: INFOODs: GLUS xref: USDA_NDB: 1011 is_a: CDNO:0200013 ! concentration of glucose in material entity [Term] id: CDNO:0200484 name: concentration of glucose derived from sucrose in material entity def: "The concentration of glucose derived from sucrose when measured in some material entity." [] synonym: "material entity glucose derived from sucrose concentration" EXACT [] xref: INFOODs: GLUS xref: USDA_NDB: 1011 is_a: CDNO:0200013 ! concentration of glucose in material entity [Term] id: CDNO:0200485 name: concentration of fructose derived from sucrose in material entity def: "The concentration of fructose derived from sucrose when measured in some material entity." [] synonym: "material entity fructose derived from sucrose concentration" EXACT [] xref: INFOODs: FRUS xref: USDA_NDB: 1012 is_a: CDNO:0200014 ! concentration of fructose in material entity [Term] id: CDNO:0200486 name: concentration of glucose derived from maltose in material entity def: "The concentration of glucose derived from maltose when measured in some material entity." [] synonym: "material entity glucose derived from maltose concentration" EXACT [] xref: INFOODs: GLUS xref: USDA_NDB: 1011 is_a: CDNO:0200013 ! concentration of glucose in material entity [Term] id: CDNO:0200487 name: concentration of galacturonic acid derived from galacturonan derived from pectin in material entity def: "The concentration of galacturonic acid derived from galacturonan derived from pectin when measured in some material entity." [] synonym: "material entity galacturonic acid derived from galacturonan derived from pectin concentration" EXACT [] xref: INFOODs: GALAAC is_a: CDNO:0200017 ! concentration of galacturonic acid in material entity [Term] id: CDNO:0200488 name: concentration of rhamnose derived from rhamnogalacturonan derived from pectin in material entity def: "The concentration of rhamnose derived from rhamnogalacturonan derived from pectin when measured in some material entity." [] synonym: "material entity rhamnose derived from rhamnogalacturonan derived from pectin concentration" EXACT [] xref: INFOODs: RHAS is_a: CDNO:0200015 ! concentration of rhamnose in material entity [Term] id: CDNO:0200489 name: concentration of D-apiose derived from rhamnogalacturonan derived from pectin in material entity def: "The concentration of D-apiose derived from rhamnogalacturonan derived from pectin when measured in some material entity." [] synonym: "material entity D-apiose derived from rhamnogalacturonan derived from pectin concentration" EXACT [] is_a: CDNO:0200016 ! concentration of D-apiose in material entity [Term] id: CDNO:0200490 name: concentration of galacturonic acid derived from rhamnogalacturonan derived from pectin in material entity def: "The concentration of galacturonic acid derived from rhamnogalacturonan derived from pectin when measured in some material entity." [] synonym: "material entity galacturonic acid derived from rhamnogalacturonan derived from pectin concentration" EXACT [] xref: INFOODs: GALAAC is_a: CDNO:0200487 ! concentration of galacturonic acid derived from galacturonan derived from pectin in material entity [Term] id: CDNO:0200491 name: concentration of fucose derived from rhamnogalacturonan derived from pectin in material entity def: "The concentration of fucose derived from rhamnogalacturonan derived from pectin when measured in some material entity." [] synonym: "material entity fucose derived from rhamnogalacturonan derived from pectin concentration" EXACT [] xref: INFOODs: FUCOS is_a: CDNO:0200018 ! concentration of fucose in material entity [Term] id: CDNO:0200492 name: concentration of xylose derived from rhamnogalacturonan derived from pectin in material entity def: "The concentration of xylose derived from rhamnogalacturonan derived from pectin when measured in some material entity." [] synonym: "material entity xylose derived from rhamnogalacturonan derived from pectin concentration" EXACT [] xref: INFOODs: XYLFB is_a: CDNO:0200019 ! concentration of xylose in material entity [Term] id: CDNO:0200493 name: concentration of arabinose derived from rhamnogalacturonan derived from pectin in material entity def: "The concentration of arabinose derived from rhamnogalacturonan derived from pectin when measured in some material entity." [] synonym: "material entity arabinose derived from rhamnogalacturonan derived from pectin concentration" EXACT [] xref: INFOODs: ARAS is_a: CDNO:0200020 ! concentration of arabinose in material entity [Term] id: CDNO:0200494 name: concentration of galactose derived from rhamnogalacturonan derived from pectin in material entity def: "The concentration of galactose derived from rhamnogalacturonan derived from pectin when measured in some material entity." [] synonym: "material entity galactose derived from rhamnogalacturonan derived from pectin concentration" EXACT [] xref: INFOODs: GALS xref: USDA_NDB: 1075 is_a: CDNO:0200021 ! concentration of galactose in material entity [Term] id: CDNO:0200495 name: concentration of raffinose derived from raffinose family oligosaccharide in material entity def: "The concentration of raffinose derived from raffinose family oligosaccharide when measured in some material entity." [] synonym: "material entity raffinose derived from raffinose family oligosaccharide concentration" EXACT [] xref: INFOODs: RAFS is_a: CDNO:0200030 ! concentration of raffinose in material entity [Term] id: CDNO:0200496 name: concentration of galactose derived from raffinose derived from raffinose family oligosaccharide in material entity def: "The concentration of galactose derived from raffinose derived from raffinose family oligosaccharide when measured in some material entity." [] synonym: "material entity galactose derived from raffinose derived from raffinose family oligosaccharide concentration" EXACT [] xref: INFOODs: GALS xref: USDA_NDB: 1075 is_a: CDNO:0200021 ! concentration of galactose in material entity [Term] id: CDNO:0200497 name: concentration of glucose derived from raffinose derived from raffinose family oligosaccharide in material entity def: "The concentration of glucose derived from raffinose derived from raffinose family oligosaccharide when measured in some material entity." [] synonym: "material entity glucose derived from raffinose derived from raffinose family oligosaccharide concentration" EXACT [] xref: INFOODs: GLUS xref: USDA_NDB: 1011 is_a: CDNO:0200013 ! concentration of glucose in material entity [Term] id: CDNO:0200498 name: concentration of fructose derived from raffinose derived from raffinose family oligosaccharide in material entity def: "The concentration of fructose derived from raffinose derived from raffinose family oligosaccharide when measured in some material entity." [] synonym: "material entity fructose derived from raffinose derived from raffinose family oligosaccharide concentration" EXACT [] xref: INFOODs: FRUS xref: USDA_NDB: 1012 is_a: CDNO:0200014 ! concentration of fructose in material entity [Term] id: CDNO:0200499 name: concentration of stachyose derived from raffinose family oligosaccharide in material entity def: "The concentration of stachyose derived from raffinose family oligosaccharide when measured in some material entity." [] synonym: "material entity stachyose derived from raffinose family oligosaccharide concentration" EXACT [] xref: INFOODs: STAS is_a: CDNO:0200031 ! concentration of stachyose in material entity [Term] id: CDNO:0200500 name: concentration of galactose derived from stachyose derived from raffinose family oligosaccharide in material entity def: "The concentration of galactose derived from stachyose derived from raffinose family oligosaccharide when measured in some material entity." [] synonym: "material entity galactose derived from stachyose derived from raffinose family oligosaccharide concentration" EXACT [] xref: INFOODs: GALS xref: USDA_NDB: 1075 is_a: CDNO:0200021 ! concentration of galactose in material entity [Term] id: CDNO:0200501 name: concentration of glucose derived from stachyose derived from raffinose family oligosaccharide in material entity def: "The concentration of glucose derived from stachyose derived from raffinose family oligosaccharide when measured in some material entity." [] synonym: "material entity glucose derived from stachyose derived from raffinose family oligosaccharide concentration" EXACT [] xref: INFOODs: GLUS xref: USDA_NDB: 1011 is_a: CDNO:0200013 ! concentration of glucose in material entity [Term] id: CDNO:0200502 name: concentration of fructose derived from stachyose derived from raffinose family oligosaccharide in material entity def: "The concentration of fructose derived from stachyose derived from raffinose family oligosaccharide when measured in some material entity." [] synonym: "material entity fructose derived from stachyose derived from raffinose family oligosaccharide concentration" EXACT [] xref: INFOODs: FRUS xref: USDA_NDB: 1012 is_a: CDNO:0200014 ! concentration of fructose in material entity [Term] id: CDNO:0200503 name: concentration of verbascose derived from rraffinose family oligosaccharide in material entity def: "The concentration of verbascose derived from rraffinose family oligosaccharide when measured in some material entity." [] synonym: "material entity verbascose derived from rraffinose family oligosaccharide concentration" EXACT [] xref: INFOODs: VERS is_a: CDNO:0200032 ! concentration of verbascose in material entity [Term] id: CDNO:0200504 name: concentration of galactose derived from verbascose derived from raffinose family oligosaccharide in material entity def: "The concentration of galactose derived from verbascose derived from raffinose family oligosaccharide when measured in some material entity." [] synonym: "material entity galactose derived from verbascose derived from raffinose family oligosaccharide concentration" EXACT [] xref: INFOODs: GALS xref: USDA_NDB: 1075 is_a: CDNO:0200021 ! concentration of galactose in material entity [Term] id: CDNO:0200505 name: concentration of glucose derived from verbascose derived from raffinose family oligosaccharide in material entity def: "The concentration of glucose derived from verbascose derived from raffinose family oligosaccharide when measured in some material entity." [] synonym: "material entity glucose derived from verbascose derived from raffinose family oligosaccharide concentration" EXACT [] xref: INFOODs: GLUS xref: USDA_NDB: 1011 is_a: CDNO:0200013 ! concentration of glucose in material entity [Term] id: CDNO:0200506 name: concentration of fructose derived from verbascose derived from raffinose family oligosaccharide in material entity def: "The concentration of fructose derived from verbascose derived from raffinose family oligosaccharide when measured in some material entity." [] synonym: "material entity fructose derived from verbascose derived from raffinose family oligosaccharide concentration" EXACT [] xref: INFOODs: FRUS xref: USDA_NDB: 1012 is_a: CDNO:0200014 ! concentration of fructose in material entity [Term] id: CDNO:0200507 name: concentration of glucose derived from cellulose in material entity def: "The concentration of glucose derived from cellulose when measured in some material entity." [] synonym: "material entity glucose derived from cellulose concentration" EXACT [] xref: INFOODs: GLUFB xref: USDA_NDB: 1011 is_a: CDNO:0200013 ! concentration of glucose in material entity [Term] id: CDNO:0200508 name: concentration of mannose derived from mannan derived from hemicellulose in material entity def: "The concentration of mannose derived from mannan derived from hemicellulose when measured in some material entity." [] synonym: "material entity mannose derived from mannan derived from hemicellulose concentration" EXACT [] xref: INFOODs: MANFB is_a: CDNO:0200022 ! concentration of mannose in material entity [Term] id: CDNO:0200509 name: concentration of glucose derived from xylan derived from hemicellulose in material entity def: "The concentration of glucose derived from xylan derived from hemicellulose when measured in some material entity." [] synonym: "material entity glucose derived from xylan derived from hemicellulose concentration" EXACT [] xref: INFOODs: GLUFB xref: USDA_NDB: 1011 is_a: CDNO:0200013 ! concentration of glucose in material entity [Term] id: CDNO:0200510 name: concentration of xylose derived from xylan derived from hemicellulose in material entity def: "The concentration of xylose derived from xylan derived from hemicellulose when measured in some material entity." [] synonym: "material entity xylose derived from xylan derived from hemicellulose concentration" EXACT [] xref: INFOODs: XYLFB is_a: CDNO:0200019 ! concentration of xylose in material entity [Term] id: CDNO:0200511 name: concentration of glucose derived from xyloglucan derived from hemicellulose in material entity def: "The concentration of glucose derived from xyloglucan derived from hemicellulose when measured in some material entity." [] synonym: "material entity glucose derived from xyloglucan derived from hemicellulose concentration" EXACT [] xref: INFOODs: GLUFB xref: USDA_NDB: 1011 is_a: CDNO:0200013 ! concentration of glucose in material entity [Term] id: CDNO:0200512 name: concentration of xylose derived from xyloglucan derived from hemicellulose in material entity def: "The concentration of xylose derived from xyloglucan derived from hemicellulose when measured in some material entity." [] synonym: "material entity xylose derived from xyloglucan derived from hemicellulose concentration" EXACT [] xref: INFOODs: XYLFB is_a: CDNO:0200019 ! concentration of xylose in material entity [Term] id: CDNO:0200513 name: concentration of glucose derived from glucomannan derived from hemicellulose in material entity def: "The concentration of glucose derived from glucomannan derived from hemicellulose when measured in some material entity." [] synonym: "material entity glucose derived from glucomannan derived from hemicellulose concentration" EXACT [] xref: INFOODs: GLUFB xref: USDA_NDB: 1011 is_a: CDNO:0200013 ! concentration of glucose in material entity [Term] id: CDNO:0200514 name: concentration of mannose derived from glucomannan derived from hemicellulose in material entity def: "The concentration of mannose derived from glucomannan derived from hemicellulose when measured in some material entity." [] synonym: "material entity mannose derived from glucomannan derived from hemicellulose concentration" EXACT [] xref: INFOODs: MANFB is_a: CDNO:0200022 ! concentration of mannose in material entity [Term] id: CDNO:0200515 name: concentration of arabinose derived from arabinoxylan derived from hemicellulose in material entity def: "The concentration of arabinose derived from arabinoxylan derived from hemicellulose when measured in some material entity." [] synonym: "material entity arabinose derived from arabinoxylan derived from hemicellulose concentration" EXACT [] xref: INFOODs: ARAFB is_a: CDNO:0200020 ! concentration of arabinose in material entity [Term] id: CDNO:0200516 name: concentration of xylose derived from arabinoxylan derived from hemicellulose in material entity def: "The concentration of xylose derived from arabinoxylan derived from hemicellulose when measured in some material entity." [] synonym: "material entity xylose derived from arabinoxylan derived from hemicellulose concentration" EXACT [] xref: INFOODs: XYLFB is_a: CDNO:0200019 ! concentration of xylose in material entity [Term] id: CDNO:0200517 name: concentration of inulin derived from fructan in material entity def: "The concentration of inulin derived from fructan when measured in some material entity." [] synonym: "material entity inulin derived from fructan concentration" EXACT [] xref: INFOODs: INULN xref: USDA_NDB: 1403 is_a: CDNO:0200011 ! concentration of inulin in material entity [Term] id: CDNO:0200518 name: concentration of fructose derived from inulin derived from fructan in material entity def: "The concentration of fructose derived from inulin derived from fructan when measured in some material entity." [] synonym: "material entity fructose derived from inulin derived from fructan concentration" EXACT [] xref: INFOODs: FRUS xref: USDA_NDB: 1012 is_a: CDNO:0200014 ! concentration of fructose in material entity [Term] id: CDNO:0200519 name: concentration of amino acid derived from protein in material entity def: "The concentration of amino acid derived from protein when measured in some material entity." [] synonym: "material entity amino acid derived from protein concentration" EXACT [] is_a: CDNO:0200464 ! concentration of amino acid in material entity [Term] id: CDNO:0200520 name: concentration of isoprenoid in material entity def: "The concentration of isoprenoid when measured in some material entity." [] synonym: "material entity isoprenoid concentration" EXACT [] is_a: CDNO:0200068 ! concentration of lipid in material entity [Term] id: CDNO:0200521 name: concentration of terpene in material entity def: "The concentration of terpene when measured in some material entity." [] synonym: "material entity terpene concentration" EXACT [] is_a: CDNO:0200520 ! concentration of isoprenoid in material entity [Term] id: CDNO:0200522 name: concentration of tetraterpene in material entity def: "The concentration of tetraterpene when measured in some material entity." [] synonym: "material entity tetraterpene concentration" EXACT [] is_a: CDNO:0200521 ! concentration of terpene in material entity [Term] id: CDNO:0200523 name: concentration of carotene in material entity def: "The concentration of carotene when measured in some material entity." [] synonym: "material entity carotene concentration" EXACT [] is_a: CDNO:0200522 ! concentration of tetraterpene in material entity [Term] id: CDNO:0200524 name: concentration of tetraterpenoid in material entity def: "The concentration of tetraterpenoid when measured in some material entity." [] synonym: "material entity tetraterpenoid concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0200525 name: concentration of methylmercury compound in material entity def: "The concentration of methylmercury compound when measured in some material entity." [] synonym: "material entity methylmercury compound concentration" EXACT [] is_a: CDNO:0200146 ! concentration of trace element in material entity [Term] id: CDNO:0200526 name: concentration of thiamine hydrochloride in material entity def: "The concentration of thiamine hydrochloride when measured in some material entity." [] synonym: "material entity thiamine hydrochloride concentration" EXACT [] xref: INFOODs: THIAHCL is_a: CDNO:0200184 ! concentration of vitamin B1 in material entity [Term] id: CDNO:0200527 name: concentration of vitamin B2 in material entity def: "The concentration of vitamin B2 when measured in some material entity." [] synonym: "material entity vitamin B2 concentration" EXACT [] is_a: CDNO:0200182 ! concentration of B vitamin in material entity [Term] id: CDNO:0200528 name: concentration of vitamin B3 in material entity def: "The concentration of vitamin B3 when measured in some material entity." [] synonym: "material entity vitamin B3 concentration" EXACT [] is_a: CDNO:0200182 ! concentration of B vitamin in material entity [Term] id: CDNO:0200529 name: concentration of vitamin B5 in material entity def: "The concentration of vitamin B5 when measured in some material entity." [] synonym: "material entity vitamin B5 concentration" EXACT [] is_a: CDNO:0200182 ! concentration of B vitamin in material entity [Term] id: CDNO:0200530 name: concentration of vitamin B6 in material entity def: "The concentration of vitamin B6 when measured in some material entity." [] synonym: "material entity vitamin B6 concentration" EXACT [] xref: INFOODs: VITB6- xref: USDA_NDB: 1175 is_a: CDNO:0200182 ! concentration of B vitamin in material entity [Term] id: CDNO:0200531 name: concentration of vitamin B7 in material entity def: "The concentration of vitamin B7 when measured in some material entity." [] synonym: "material entity vitamin B7 concentration" EXACT [] is_a: CDNO:0200182 ! concentration of B vitamin in material entity [Term] id: CDNO:0200532 name: concentration of vitamin B9 in material entity def: "The concentration of vitamin B9 when measured in some material entity." [] synonym: "material entity vitamin B9 concentration" EXACT [] is_a: CDNO:0200182 ! concentration of B vitamin in material entity [Term] id: CDNO:0200533 name: concentration of tetrahydrofolate in material entity def: "The concentration of tetrahydrofolate when measured in some material entity." [] synonym: "material entity tetrahydrofolate concentration" EXACT [] xref: INFOODs: FOLH4 is_a: CDNO:0200532 ! concentration of vitamin B9 in material entity [Term] id: CDNO:0200534 name: concentration of vitamin B12 in material entity def: "The concentration of vitamin B12 when measured in some material entity." [] synonym: "material entity vitamin B12 concentration" EXACT [] xref: INFOODs: VITB12 xref: USDA_NDB: 1178 is_a: CDNO:0200182 ! concentration of B vitamin in material entity [Term] id: CDNO:0200535 name: concentration of all-trans-retinol in material entity def: "The concentration of all-trans-retinol when measured in some material entity." [] synonym: "material entity all-trans-retinol concentration" EXACT [] is_a: CDNO:0200195 ! concentration of vitamin A in material entity [Term] id: CDNO:0200536 name: concentration of D3 vitamins in material entity def: "The concentration of D3 vitamins when measured in some material entity." [] synonym: "material entity D3 vitamins concentration" EXACT [] xref: USDA_NDB: 1112 is_a: CDNO:0200201 ! concentration of vitamin D in material entity [Term] id: CDNO:0200537 name: concentration of calciol in material entity def: "The concentration of calciol when measured in some material entity." [] synonym: "material entity calciol concentration" EXACT [] is_a: CDNO:0200536 ! concentration of D3 vitamins in material entity [Term] id: CDNO:0200538 name: concentration of vitamin D2 in material entity def: "The concentration of vitamin D2 when measured in some material entity." [] synonym: "material entity vitamin D2 concentration" EXACT [] is_a: CDNO:0200201 ! concentration of vitamin D in material entity [Term] id: CDNO:0200539 name: concentration of vitamin D4 in material entity def: "The concentration of vitamin D4 when measured in some material entity." [] synonym: "material entity vitamin D4 concentration" EXACT [] xref: USDA_NDB: 1111 is_a: CDNO:0200201 ! concentration of vitamin D in material entity [Term] id: CDNO:0200540 name: concentration of vitamin D5 in material entity def: "The concentration of vitamin D5 when measured in some material entity." [] synonym: "material entity vitamin D5 concentration" EXACT [] is_a: CDNO:0200201 ! concentration of vitamin D in material entity [Term] id: CDNO:0200541 name: concentration of menadione in material entity def: "The concentration of menadione when measured in some material entity." [] synonym: "material entity menadione concentration" EXACT [] is_a: CDNO:0200214 ! concentration of vitamin K in material entity [Term] id: CDNO:0200542 name: concentration of menaquinone in material entity def: "The concentration of menaquinone when measured in some material entity." [] synonym: "material entity menaquinone concentration" EXACT [] xref: INFOODs: MK4 xref: INFOODs: MK5 xref: INFOODs: MK6 xref: INFOODs: MK7 xref: INFOODs: MK8 xref: INFOODs: MK9 xref: USDA_NDB: 1183 is_a: CDNO:0200214 ! concentration of vitamin K in material entity [Term] id: CDNO:0200543 name: concentration of phylloquinone in material entity def: "The concentration of phylloquinone when measured in some material entity." [] synonym: "material entity phylloquinone concentration" EXACT [] xref: USDA_NDB: 1185 is_a: CDNO:0200214 ! concentration of vitamin K in material entity [Term] id: CDNO:0200544 name: concentration of dietary calcium in material entity def: "The concentration of dietary calcium when measured in some material entity." [] synonym: "material entity dietary calcium concentration" EXACT [] is_a: CDNO:0200137 ! concentration of macro element in material entity [Term] id: CDNO:0200545 name: concentration of inorganic calcium salt in material entity def: "The concentration of inorganic calcium salt when measured in some material entity." [] synonym: "material entity inorganic calcium salt concentration" EXACT [] is_a: CDNO:0200544 ! concentration of dietary calcium in material entity [Term] id: CDNO:0200546 name: concentration of calcium dichloride in material entity def: "The concentration of calcium dichloride when measured in some material entity." [] synonym: "material entity calcium dichloride concentration" EXACT [] is_a: CDNO:0200545 ! concentration of inorganic calcium salt in material entity is_a: CDNO:0200560 ! concentration of inorganic chloride in material entity [Term] id: CDNO:0200547 name: concentration of calcium carbonate in material entity def: "The concentration of calcium carbonate when measured in some material entity." [] synonym: "material entity calcium carbonate concentration" EXACT [] is_a: CDNO:0200545 ! concentration of inorganic calcium salt in material entity [Term] id: CDNO:0200548 name: concentration of calcium difluoride in material entity def: "The concentration of calcium difluoride when measured in some material entity." [] synonym: "material entity calcium difluoride concentration" EXACT [] is_a: CDNO:0200545 ! concentration of inorganic calcium salt in material entity [Term] id: CDNO:0200549 name: concentration of calcium sulfate in material entity def: "The concentration of calcium sulfate when measured in some material entity." [] synonym: "material entity calcium sulfate concentration" EXACT [] is_a: CDNO:0200545 ! concentration of inorganic calcium salt in material entity is_a: CDNO:0200621 ! concentration of inorganic sulfate salt in material entity [Term] id: CDNO:0200550 name: concentration of calcium phosphate in material entity def: "The concentration of calcium phosphate when measured in some material entity." [] synonym: "material entity calcium phosphate concentration" EXACT [] is_a: CDNO:0200545 ! concentration of inorganic calcium salt in material entity is_a: CDNO:0200580 ! concentration of inorganic phosphate salt in material entity [Term] id: CDNO:0200551 name: concentration of calcium hydroxide in material entity def: "The concentration of calcium hydroxide when measured in some material entity." [] synonym: "material entity calcium hydroxide concentration" EXACT [] is_a: CDNO:0200545 ! concentration of inorganic calcium salt in material entity [Term] id: CDNO:0200552 name: concentration of calcium hypochlorite in material entity def: "The concentration of calcium hypochlorite when measured in some material entity." [] synonym: "material entity calcium hypochlorite concentration" EXACT [] is_a: CDNO:0200545 ! concentration of inorganic calcium salt in material entity [Term] id: CDNO:0200553 name: concentration of calcium silicate in material entity def: "The concentration of calcium silicate when measured in some material entity." [] synonym: "material entity calcium silicate concentration" EXACT [] is_a: CDNO:0200545 ! concentration of inorganic calcium salt in material entity [Term] id: CDNO:0200554 name: concentration of organic calcium salt in material entity def: "The concentration of organic calcium salt when measured in some material entity." [] synonym: "material entity organic calcium salt concentration" EXACT [] is_a: CDNO:0200544 ! concentration of dietary calcium in material entity [Term] id: CDNO:0200555 name: concentration of calcium citrate in material entity def: "The concentration of calcium citrate when measured in some material entity." [] synonym: "material entity calcium citrate concentration" EXACT [] is_a: CDNO:0200554 ! concentration of organic calcium salt in material entity [Term] id: CDNO:0200556 name: concentration of calcium glycerophosphate in material entity def: "The concentration of calcium glycerophosphate when measured in some material entity." [] synonym: "material entity calcium glycerophosphate concentration" EXACT [] is_a: CDNO:0200554 ! concentration of organic calcium salt in material entity [Term] id: CDNO:0200557 name: concentration of calcium stearate in material entity def: "The concentration of calcium stearate when measured in some material entity." [] synonym: "material entity calcium stearate concentration" EXACT [] is_a: CDNO:0200554 ! concentration of organic calcium salt in material entity [Term] id: CDNO:0200558 name: concentration of organic calcium compound in material entity def: "The concentration of organic calcium compound when measured in some material entity." [] synonym: "material entity organic calcium compound concentration" EXACT [] is_a: CDNO:0200544 ! concentration of dietary calcium in material entity [Term] id: CDNO:0200559 name: concentration of dietary chlorine in material entity def: "The concentration of dietary chlorine when measured in some material entity." [] synonym: "material entity dietary chlorine concentration" EXACT [] is_a: CDNO:0200137 ! concentration of macro element in material entity [Term] id: CDNO:0200560 name: concentration of inorganic chloride in material entity def: "The concentration of inorganic chloride when measured in some material entity." [] synonym: "material entity inorganic chloride concentration" EXACT [] is_a: CDNO:0200139 ! concentration of chloride in material entity [Term] id: CDNO:0200561 name: concentration of sodium chloride in material entity def: "The concentration of sodium chloride when measured in some material entity." [] synonym: "material entity sodium chloride concentration" EXACT [] is_a: CDNO:0200175 ! concentration of salt in material entity is_a: CDNO:0200560 ! concentration of inorganic chloride in material entity is_a: CDNO:0200600 ! concentration of inorganic sodium salt in material entity [Term] id: CDNO:0200562 name: concentration of calcium dichloride in material entity def: "The concentration of calcium dichloride when measured in some material entity." [] synonym: "material entity calcium dichloride concentration" EXACT [] is_a: CDNO:0200545 ! concentration of inorganic calcium salt in material entity is_a: CDNO:0200560 ! concentration of inorganic chloride in material entity [Term] id: CDNO:0200563 name: concentration of magnesium dichloride in material entity def: "The concentration of magnesium dichloride when measured in some material entity." [] synonym: "material entity magnesium dichloride concentration" EXACT [] is_a: CDNO:0200560 ! concentration of inorganic chloride in material entity is_a: CDNO:0200571 ! concentration of inorganic magnesium salt in material entity [Term] id: CDNO:0200564 name: concentration of potassium chloride in material entity def: "The concentration of potassium chloride when measured in some material entity." [] synonym: "material entity potassium chloride concentration" EXACT [] is_a: CDNO:0200560 ! concentration of inorganic chloride in material entity is_a: CDNO:0200593 ! concentration of inorganic potassium salt in material entity [Term] id: CDNO:0200565 name: concentration of lithium chloride in material entity def: "The concentration of lithium chloride when measured in some material entity." [] synonym: "material entity lithium chloride concentration" EXACT [] is_a: CDNO:0200560 ! concentration of inorganic chloride in material entity [Term] id: CDNO:0200566 name: concentration of organic chloride salt in material entity def: "The concentration of organic chloride salt when measured in some material entity." [] synonym: "material entity organic chloride salt concentration" EXACT [] is_a: CDNO:0200139 ! concentration of chloride in material entity [Term] id: CDNO:0200567 name: concentration of organochlorine compound in material entity def: "The concentration of organochlorine compound when measured in some material entity." [] synonym: "material entity organochlorine compound concentration" EXACT [] is_a: CDNO:0200139 ! concentration of chloride in material entity [Term] id: CDNO:0200568 name: concentration of hydrogen chloride in material entity def: "The concentration of hydrogen chloride when measured in some material entity." [] synonym: "material entity hydrogen chloride concentration" EXACT [] is_a: CDNO:0200139 ! concentration of chloride in material entity [Term] id: CDNO:0200569 name: concentration of hypochlorite in material entity def: "The concentration of hypochlorite when measured in some material entity." [] synonym: "material entity hypochlorite concentration" EXACT [] is_a: CDNO:0200139 ! concentration of chloride in material entity [Term] id: CDNO:0200570 name: concentration of dietary magnesium in material entity def: "The concentration of dietary magnesium when measured in some material entity." [] synonym: "material entity dietary magnesium concentration" EXACT [] is_a: CDNO:0200137 ! concentration of macro element in material entity [Term] id: CDNO:0200571 name: concentration of inorganic magnesium salt in material entity def: "The concentration of inorganic magnesium salt when measured in some material entity." [] synonym: "material entity inorganic magnesium salt concentration" EXACT [] is_a: CDNO:0200570 ! concentration of dietary magnesium in material entity [Term] id: CDNO:0200572 name: concentration of magnesium dichloride in material entity def: "The concentration of magnesium dichloride when measured in some material entity." [] synonym: "material entity magnesium dichloride concentration" EXACT [] is_a: CDNO:0200560 ! concentration of inorganic chloride in material entity is_a: CDNO:0200571 ! concentration of inorganic magnesium salt in material entity [Term] id: CDNO:0200573 name: concentration of magnesium phosphate in material entity def: "The concentration of magnesium phosphate when measured in some material entity." [] synonym: "material entity magnesium phosphate concentration" EXACT [] is_a: CDNO:0200571 ! concentration of inorganic magnesium salt in material entity is_a: CDNO:0200580 ! concentration of inorganic phosphate salt in material entity [Term] id: CDNO:0200574 name: concentration of magnesium hydroxide in material entity def: "The concentration of magnesium hydroxide when measured in some material entity." [] synonym: "material entity magnesium hydroxide concentration" EXACT [] is_a: CDNO:0200571 ! concentration of inorganic magnesium salt in material entity [Term] id: CDNO:0200575 name: concentration of organic magnesium salt in material entity def: "The concentration of organic magnesium salt when measured in some material entity." [] synonym: "material entity organic magnesium salt concentration" EXACT [] is_a: CDNO:0200570 ! concentration of dietary magnesium in material entity [Term] id: CDNO:0200576 name: concentration of magnesium distearate in material entity def: "The concentration of magnesium distearate when measured in some material entity." [] synonym: "material entity magnesium distearate concentration" EXACT [] is_a: CDNO:0200575 ! concentration of organic magnesium salt in material entity [Term] id: CDNO:0200577 name: concentration of magnesium carbonate in material entity def: "The concentration of magnesium carbonate when measured in some material entity." [] synonym: "material entity magnesium carbonate concentration" EXACT [] is_a: CDNO:0200575 ! concentration of organic magnesium salt in material entity [Term] id: CDNO:0200578 name: concentration of dietary phosphorus in material entity def: "The concentration of dietary phosphorus when measured in some material entity." [] synonym: "material entity dietary phosphorus concentration" EXACT [] is_a: CDNO:0200137 ! concentration of macro element in material entity [Term] id: CDNO:0200579 name: concentration of phosphoric acid in material entity def: "The concentration of phosphoric acid when measured in some material entity." [] synonym: "material entity phosphoric acid concentration" EXACT [] is_a: CDNO:0200578 ! concentration of dietary phosphorus in material entity [Term] id: CDNO:0200580 name: concentration of inorganic phosphate salt in material entity def: "The concentration of inorganic phosphate salt when measured in some material entity." [] synonym: "material entity inorganic phosphate salt concentration" EXACT [] is_a: CDNO:0200578 ! concentration of dietary phosphorus in material entity [Term] id: CDNO:0200581 name: concentration of sodium phosphate in material entity def: "The concentration of sodium phosphate when measured in some material entity." [] synonym: "material entity sodium phosphate concentration" EXACT [] is_a: CDNO:0200580 ! concentration of inorganic phosphate salt in material entity is_a: CDNO:0200600 ! concentration of inorganic sodium salt in material entity [Term] id: CDNO:0200582 name: concentration of potassium phosphate in material entity def: "The concentration of potassium phosphate when measured in some material entity." [] synonym: "material entity potassium phosphate concentration" EXACT [] is_a: CDNO:0200580 ! concentration of inorganic phosphate salt in material entity is_a: CDNO:0200593 ! concentration of inorganic potassium salt in material entity [Term] id: CDNO:0200583 name: concentration of iron(3+) phosphate in material entity def: "The concentration of iron(3+) phosphate when measured in some material entity." [] synonym: "material entity iron(3+) phosphate concentration" EXACT [] is_a: CDNO:0200580 ! concentration of inorganic phosphate salt in material entity is_a: CDNO:0200651 ! concentration of dietary iron in material entity [Term] id: CDNO:0200584 name: concentration of organic phosphate salt in material entity def: "The concentration of organic phosphate salt when measured in some material entity." [] synonym: "material entity organic phosphate salt concentration" EXACT [] is_a: CDNO:0200578 ! concentration of dietary phosphorus in material entity [Term] id: CDNO:0200585 name: concentration of organic phosphate compound in material entity def: "The concentration of organic phosphate compound when measured in some material entity." [] synonym: "material entity organic phosphate compound concentration" EXACT [] is_a: CDNO:0200578 ! concentration of dietary phosphorus in material entity [Term] id: CDNO:0200586 name: concentration of lysophosphatidylcholine in material entity def: "The concentration of lysophosphatidylcholine when measured in some material entity." [] synonym: "material entity lysophosphatidylcholine concentration" EXACT [] is_a: CDNO:0200113 ! concentration of phospholipid in material entity is_a: CDNO:0200585 ! concentration of organic phosphate compound in material entity [Term] id: CDNO:0200587 name: concentration of phosphatidylcholine in material entity def: "The concentration of phosphatidylcholine when measured in some material entity." [] synonym: "material entity phosphatidylcholine concentration" EXACT [] is_a: CDNO:0200113 ! concentration of phospholipid in material entity is_a: CDNO:0200585 ! concentration of organic phosphate compound in material entity [Term] id: CDNO:0200588 name: concentration of phosphatidylethanolamine in material entity def: "The concentration of phosphatidylethanolamine when measured in some material entity." [] synonym: "material entity phosphatidylethanolamine concentration" EXACT [] is_a: CDNO:0200113 ! concentration of phospholipid in material entity is_a: CDNO:0200585 ! concentration of organic phosphate compound in material entity [Term] id: CDNO:0200589 name: concentration of phosphatidylinositol in material entity def: "The concentration of phosphatidylinositol when measured in some material entity." [] synonym: "material entity phosphatidylinositol concentration" EXACT [] is_a: CDNO:0200113 ! concentration of phospholipid in material entity is_a: CDNO:0200585 ! concentration of organic phosphate compound in material entity [Term] id: CDNO:0200590 name: concentration of 3-sn-phosphatidyl-L-serine in material entity def: "The concentration of 3-sn-phosphatidyl-L-serine when measured in some material entity." [] synonym: "material entity 3-sn-phosphatidyl-L-serine concentration" EXACT [] is_a: CDNO:0200585 ! concentration of organic phosphate compound in material entity [Term] id: CDNO:0200591 name: concentration of myo-inositol hexakisphosphate in material entity def: "The concentration of myo-inositol hexakisphosphate when measured in some material entity." [] synonym: "material entity myo-inositol hexakisphosphate concentration" EXACT [] is_a: CDNO:0200422 ! concentration of organic acid in material entity is_a: CDNO:0200585 ! concentration of organic phosphate compound in material entity [Term] id: CDNO:0200592 name: concentration of dietary potassium in material entity def: "The concentration of dietary potassium when measured in some material entity." [] synonym: "material entity dietary potassium concentration" EXACT [] is_a: CDNO:0200137 ! concentration of macro element in material entity [Term] id: CDNO:0200593 name: concentration of inorganic potassium salt in material entity def: "The concentration of inorganic potassium salt when measured in some material entity." [] synonym: "material entity inorganic potassium salt concentration" EXACT [] is_a: CDNO:0200592 ! concentration of dietary potassium in material entity [Term] id: CDNO:0200594 name: concentration of potassium chloride in material entity def: "The concentration of potassium chloride when measured in some material entity." [] synonym: "material entity potassium chloride concentration" EXACT [] is_a: CDNO:0200560 ! concentration of inorganic chloride in material entity is_a: CDNO:0200593 ! concentration of inorganic potassium salt in material entity [Term] id: CDNO:0200595 name: concentration of potassium sulfate in material entity def: "The concentration of potassium sulfate when measured in some material entity." [] synonym: "material entity potassium sulfate concentration" EXACT [] is_a: CDNO:0200593 ! concentration of inorganic potassium salt in material entity is_a: CDNO:0200621 ! concentration of inorganic sulfate salt in material entity [Term] id: CDNO:0200596 name: concentration of organic potassium salt in material entity def: "The concentration of organic potassium salt when measured in some material entity." [] synonym: "material entity organic potassium salt concentration" EXACT [] is_a: CDNO:0200592 ! concentration of dietary potassium in material entity [Term] id: CDNO:0200597 name: concentration of potassium formate in material entity def: "The concentration of potassium formate when measured in some material entity." [] synonym: "material entity potassium formate concentration" EXACT [] is_a: CDNO:0200596 ! concentration of organic potassium salt in material entity [Term] id: CDNO:0200598 name: concentration of potassium bitartrate in material entity def: "The concentration of potassium bitartrate when measured in some material entity." [] synonym: "material entity potassium bitartrate concentration" EXACT [] is_a: CDNO:0200596 ! concentration of organic potassium salt in material entity [Term] id: CDNO:0200599 name: concentration of dietary sodium in material entity def: "The concentration of dietary sodium when measured in some material entity." [] synonym: "material entity dietary sodium concentration" EXACT [] is_a: CDNO:0200137 ! concentration of macro element in material entity [Term] id: CDNO:0200600 name: concentration of inorganic sodium salt in material entity def: "The concentration of inorganic sodium salt when measured in some material entity." [] synonym: "material entity inorganic sodium salt concentration" EXACT [] is_a: CDNO:0200599 ! concentration of dietary sodium in material entity [Term] id: CDNO:0200601 name: concentration of sodium chloride in material entity def: "The concentration of sodium chloride when measured in some material entity." [] synonym: "material entity sodium chloride concentration" EXACT [] is_a: CDNO:0200175 ! concentration of salt in material entity is_a: CDNO:0200560 ! concentration of inorganic chloride in material entity is_a: CDNO:0200600 ! concentration of inorganic sodium salt in material entity [Term] id: CDNO:0200602 name: concentration of sodium hydrogencarbonate in material entity def: "The concentration of sodium hydrogencarbonate when measured in some material entity." [] synonym: "material entity sodium hydrogencarbonate concentration" EXACT [] is_a: CDNO:0200600 ! concentration of inorganic sodium salt in material entity [Term] id: CDNO:0200603 name: concentration of sodium sulfate in material entity def: "The concentration of sodium sulfate when measured in some material entity." [] synonym: "material entity sodium sulfate concentration" EXACT [] is_a: CDNO:0200600 ! concentration of inorganic sodium salt in material entity is_a: CDNO:0200621 ! concentration of inorganic sulfate salt in material entity [Term] id: CDNO:0200604 name: concentration of sodium hydrogensulfite in material entity def: "The concentration of sodium hydrogensulfite when measured in some material entity." [] synonym: "material entity sodium hydrogensulfite concentration" EXACT [] is_a: CDNO:0200603 ! concentration of sodium sulfate in material entity [Term] id: CDNO:0200605 name: concentration of sodium borohydride in material entity def: "The concentration of sodium borohydride when measured in some material entity." [] synonym: "material entity sodium borohydride concentration" EXACT [] is_a: CDNO:0200600 ! concentration of inorganic sodium salt in material entity [Term] id: CDNO:0200606 name: concentration of sodium bromate in material entity def: "The concentration of sodium bromate when measured in some material entity." [] synonym: "material entity sodium bromate concentration" EXACT [] is_a: CDNO:0200600 ! concentration of inorganic sodium salt in material entity [Term] id: CDNO:0200607 name: concentration of sodium chlorate in material entity def: "The concentration of sodium chlorate when measured in some material entity." [] synonym: "material entity sodium chlorate concentration" EXACT [] is_a: CDNO:0200600 ! concentration of inorganic sodium salt in material entity [Term] id: CDNO:0200608 name: concentration of sodium cyanide in material entity def: "The concentration of sodium cyanide when measured in some material entity." [] synonym: "material entity sodium cyanide concentration" EXACT [] is_a: CDNO:0200600 ! concentration of inorganic sodium salt in material entity [Term] id: CDNO:0200609 name: concentration of sodium fluoride in material entity def: "The concentration of sodium fluoride when measured in some material entity." [] synonym: "material entity sodium fluoride concentration" EXACT [] is_a: CDNO:0200600 ! concentration of inorganic sodium salt in material entity [Term] id: CDNO:0200610 name: concentration of sodium hydroxide in material entity def: "The concentration of sodium hydroxide when measured in some material entity." [] synonym: "material entity sodium hydroxide concentration" EXACT [] is_a: CDNO:0200600 ! concentration of inorganic sodium salt in material entity [Term] id: CDNO:0200611 name: concentration of Sodium iodate in material entity def: "The concentration of Sodium iodate when measured in some material entity." [] synonym: "material entity Sodium iodate concentration" EXACT [] is_a: CDNO:0200600 ! concentration of inorganic sodium salt in material entity [Term] id: CDNO:0200612 name: concentration of sodium nitrate in material entity def: "The concentration of sodium nitrate when measured in some material entity." [] synonym: "material entity sodium nitrate concentration" EXACT [] is_a: CDNO:0200600 ! concentration of inorganic sodium salt in material entity [Term] id: CDNO:0200613 name: concentration of organic sodium salt in material entity def: "The concentration of organic sodium salt when measured in some material entity." [] synonym: "material entity organic sodium salt concentration" EXACT [] is_a: CDNO:0200599 ! concentration of dietary sodium in material entity [Term] id: CDNO:0200614 name: concentration of sodium oxalate in material entity def: "The concentration of sodium oxalate when measured in some material entity." [] synonym: "material entity sodium oxalate concentration" EXACT [] is_a: CDNO:0200613 ! concentration of organic sodium salt in material entity [Term] id: CDNO:0200615 name: concentration of sodium L-tartrate in material entity def: "The concentration of sodium L-tartrate when measured in some material entity." [] synonym: "material entity sodium L-tartrate concentration" EXACT [] is_a: CDNO:0200613 ! concentration of organic sodium salt in material entity [Term] id: CDNO:0200616 name: concentration of sodium formate in material entity def: "The concentration of sodium formate when measured in some material entity." [] synonym: "material entity sodium formate concentration" EXACT [] is_a: CDNO:0200613 ! concentration of organic sodium salt in material entity [Term] id: CDNO:0200617 name: concentration of sodium phenolate in material entity def: "The concentration of sodium phenolate when measured in some material entity." [] synonym: "material entity sodium phenolate concentration" EXACT [] is_a: CDNO:0200613 ! concentration of organic sodium salt in material entity [Term] id: CDNO:0200618 name: concentration of sodium citrate in material entity def: "The concentration of sodium citrate when measured in some material entity." [] synonym: "material entity sodium citrate concentration" EXACT [] is_a: CDNO:0200613 ! concentration of organic sodium salt in material entity [Term] id: CDNO:0200619 name: concentration of dietary sulfur in material entity def: "The concentration of dietary sulfur when measured in some material entity." [] synonym: "material entity dietary sulfur concentration" EXACT [] is_a: CDNO:0200137 ! concentration of macro element in material entity [Term] id: CDNO:0200620 name: concentration of sulfite in material entity def: "The concentration of sulfite when measured in some material entity." [] synonym: "material entity sulfite concentration" EXACT [] is_a: CDNO:0200619 ! concentration of dietary sulfur in material entity [Term] id: CDNO:0200621 name: concentration of inorganic sulfate salt in material entity def: "The concentration of inorganic sulfate salt when measured in some material entity." [] synonym: "material entity inorganic sulfate salt concentration" EXACT [] is_a: CDNO:0200619 ! concentration of dietary sulfur in material entity [Term] id: CDNO:0200622 name: concentration of magnesium sulfate in material entity def: "The concentration of magnesium sulfate when measured in some material entity." [] synonym: "material entity magnesium sulfate concentration" EXACT [] is_a: CDNO:0200621 ! concentration of inorganic sulfate salt in material entity [Term] id: CDNO:0200623 name: concentration of iron sulfate in material entity def: "The concentration of iron sulfate when measured in some material entity." [] synonym: "material entity iron sulfate concentration" EXACT [] is_a: CDNO:0200621 ! concentration of inorganic sulfate salt in material entity is_a: CDNO:0200652 ! concentration of inorganic iron salt in material entity [Term] id: CDNO:0200624 name: concentration of sodium hydrogensulfite in material entity def: "The concentration of sodium hydrogensulfite when measured in some material entity." [] synonym: "material entity sodium hydrogensulfite concentration" EXACT [] is_a: CDNO:0200603 ! concentration of sodium sulfate in material entity [Term] id: CDNO:0200625 name: concentration of copper(II) sulfate in material entity def: "The concentration of copper(II) sulfate when measured in some material entity." [] synonym: "material entity copper(II) sulfate concentration" EXACT [] is_a: CDNO:0200621 ! concentration of inorganic sulfate salt in material entity is_a: CDNO:0200643 ! concentration of inorganic copper salt in material entity [Term] id: CDNO:0200626 name: concentration of organic sulfate salt in material entity def: "The concentration of organic sulfate salt when measured in some material entity." [] synonym: "material entity organic sulfate salt concentration" EXACT [] is_a: CDNO:0200619 ! concentration of dietary sulfur in material entity [Term] id: CDNO:0200627 name: concentration of organosulfur compound in material entity def: "The concentration of organosulfur compound when measured in some material entity." [] synonym: "material entity organosulfur compound concentration" EXACT [] is_a: CDNO:0200619 ! concentration of dietary sulfur in material entity [Term] id: CDNO:0200628 name: concentration of thiol in material entity def: "The concentration of thiol when measured in some material entity." [] synonym: "material entity thiol concentration" EXACT [] is_a: CDNO:0200627 ! concentration of organosulfur compound in material entity [Term] id: CDNO:0200629 name: concentration of glutathione in material entity def: "The concentration of glutathione when measured in some material entity." [] synonym: "material entity glutathione concentration" EXACT [] is_a: CDNO:0200627 ! concentration of organosulfur compound in material entity [Term] id: CDNO:0200630 name: concentration of sulfonyldimethane in material entity def: "The concentration of sulfonyldimethane when measured in some material entity." [] synonym: "material entity sulfonyldimethane concentration" EXACT [] is_a: CDNO:0200627 ! concentration of organosulfur compound in material entity [Term] id: CDNO:0200631 name: concentration of dimethyl sulfoxide in material entity def: "The concentration of dimethyl sulfoxide when measured in some material entity." [] synonym: "material entity dimethyl sulfoxide concentration" EXACT [] is_a: CDNO:0200627 ! concentration of organosulfur compound in material entity [Term] id: CDNO:0200632 name: concentration of cysteine in material entity def: "The concentration of cysteine when measured in some material entity." [] synonym: "material entity cysteine concentration" EXACT [] is_a: CDNO:0200464 ! concentration of amino acid in material entity is_a: CDNO:0200627 ! concentration of organosulfur compound in material entity [Term] id: CDNO:0200633 name: concentration of methionine in material entity def: "The concentration of methionine when measured in some material entity." [] synonym: "material entity methionine concentration" EXACT [] is_a: CDNO:0200464 ! concentration of amino acid in material entity is_a: CDNO:0200627 ! concentration of organosulfur compound in material entity [Term] id: CDNO:0200634 name: concentration of glucosinolate in material entity def: "The concentration of glucosinolate when measured in some material entity." [] synonym: "material entity glucosinolate concentration" EXACT [] is_a: CDNO:0200627 ! concentration of organosulfur compound in material entity [Term] id: CDNO:0200635 name: concentration of sinigrin in material entity def: "The concentration of sinigrin when measured in some material entity." [] synonym: "material entity sinigrin concentration" EXACT [] is_a: CDNO:0200634 ! concentration of glucosinolate in material entity [Term] id: CDNO:0200636 name: concentration of isothiocyanate in material entity def: "The concentration of isothiocyanate when measured in some material entity." [] synonym: "material entity isothiocyanate concentration" EXACT [] is_a: CDNO:0200627 ! concentration of organosulfur compound in material entity [Term] id: CDNO:0200637 name: concentration of allyl isothiocyanate in material entity def: "The concentration of allyl isothiocyanate when measured in some material entity." [] synonym: "material entity allyl isothiocyanate concentration" EXACT [] is_a: CDNO:0200636 ! concentration of isothiocyanate in material entity [Term] id: CDNO:0200638 name: concentration of sulfur dioxide in material entity def: "The concentration of sulfur dioxide when measured in some material entity." [] synonym: "material entity sulfur dioxide concentration" EXACT [] is_a: CDNO:0200627 ! concentration of organosulfur compound in material entity [Term] id: CDNO:0200639 name: concentration of dietary chromium in material entity def: "The concentration of dietary chromium when measured in some material entity." [] synonym: "material entity dietary chromium concentration" EXACT [] is_a: CDNO:0200146 ! concentration of trace element in material entity [Term] id: CDNO:0200640 name: concentration of inorganic chromium salt in material entity def: "The concentration of inorganic chromium salt when measured in some material entity." [] synonym: "material entity inorganic chromium salt concentration" EXACT [] is_a: CDNO:0200639 ! concentration of dietary chromium in material entity [Term] id: CDNO:0200641 name: concentration of organic chromium salt in material entity def: "The concentration of organic chromium salt when measured in some material entity." [] synonym: "material entity organic chromium salt concentration" EXACT [] is_a: CDNO:0200639 ! concentration of dietary chromium in material entity [Term] id: CDNO:0200642 name: concentration of dietary copper in material entity def: "The concentration of dietary copper when measured in some material entity." [] synonym: "material entity dietary copper concentration" EXACT [] is_a: CDNO:0200146 ! concentration of trace element in material entity [Term] id: CDNO:0200643 name: concentration of inorganic copper salt in material entity def: "The concentration of inorganic copper salt when measured in some material entity." [] synonym: "material entity inorganic copper salt concentration" EXACT [] is_a: CDNO:0200642 ! concentration of dietary copper in material entity [Term] id: CDNO:0200644 name: concentration of organic copper salt in material entity def: "The concentration of organic copper salt when measured in some material entity." [] synonym: "material entity organic copper salt concentration" EXACT [] is_a: CDNO:0200642 ! concentration of dietary copper in material entity [Term] id: CDNO:0200645 name: concentration of dietary fluorine in material entity def: "The concentration of dietary fluorine when measured in some material entity." [] synonym: "material entity dietary fluorine concentration" EXACT [] is_a: CDNO:0200146 ! concentration of trace element in material entity [Term] id: CDNO:0200646 name: concentration of inorganic fluoride salt in material entity def: "The concentration of inorganic fluoride salt when measured in some material entity." [] synonym: "material entity inorganic fluoride salt concentration" EXACT [] is_a: CDNO:0200645 ! concentration of dietary fluorine in material entity [Term] id: CDNO:0200647 name: concentration of organic fluoride salt in material entity def: "The concentration of organic fluoride salt when measured in some material entity." [] synonym: "material entity organic fluoride salt concentration" EXACT [] is_a: CDNO:0200645 ! concentration of dietary fluorine in material entity [Term] id: CDNO:0200648 name: concentration of dietary iodine in material entity def: "The concentration of dietary iodine when measured in some material entity." [] synonym: "material entity dietary iodine concentration" EXACT [] is_a: CDNO:0200146 ! concentration of trace element in material entity [Term] id: CDNO:0200649 name: concentration of inorganic iodine salt in material entity def: "The concentration of inorganic iodine salt when measured in some material entity." [] synonym: "material entity inorganic iodine salt concentration" EXACT [] is_a: CDNO:0200648 ! concentration of dietary iodine in material entity [Term] id: CDNO:0200650 name: concentration of organic iodine salt in material entity def: "The concentration of organic iodine salt when measured in some material entity." [] synonym: "material entity organic iodine salt concentration" EXACT [] is_a: CDNO:0200648 ! concentration of dietary iodine in material entity [Term] id: CDNO:0200651 name: concentration of dietary iron in material entity def: "The concentration of dietary iron when measured in some material entity." [] synonym: "material entity dietary iron concentration" EXACT [] is_a: CDNO:0200146 ! concentration of trace element in material entity [Term] id: CDNO:0200652 name: concentration of inorganic iron salt in material entity def: "The concentration of inorganic iron salt when measured in some material entity." [] synonym: "material entity inorganic iron salt concentration" EXACT [] is_a: CDNO:0200651 ! concentration of dietary iron in material entity [Term] id: CDNO:0200653 name: concentration of iron(2+) sulfate (anhydrous) in material entity def: "The concentration of iron(2+) sulfate (anhydrous) when measured in some material entity." [] synonym: "material entity iron(2+) sulfate (anhydrous) concentration" EXACT [] is_a: CDNO:0200621 ! concentration of inorganic sulfate salt in material entity is_a: CDNO:0200652 ! concentration of inorganic iron salt in material entity [Term] id: CDNO:0200654 name: concentration of organic iron salt in material entity def: "The concentration of organic iron salt when measured in some material entity." [] synonym: "material entity organic iron salt concentration" EXACT [] is_a: CDNO:0200651 ! concentration of dietary iron in material entity [Term] id: CDNO:0200655 name: concentration of organic iron compound in material entity def: "The concentration of organic iron compound when measured in some material entity." [] synonym: "material entity organic iron compound concentration" EXACT [] is_a: CDNO:0200651 ! concentration of dietary iron in material entity [Term] id: CDNO:0200656 name: concentration of ferric ammonium citrate in material entity def: "The concentration of ferric ammonium citrate when measured in some material entity." [] synonym: "material entity ferric ammonium citrate concentration" EXACT [] is_a: CDNO:0200655 ! concentration of organic iron compound in material entity [Term] id: CDNO:0200657 name: concentration of dietary manganese in material entity def: "The concentration of dietary manganese when measured in some material entity." [] synonym: "material entity dietary manganese concentration" EXACT [] is_a: CDNO:0200146 ! concentration of trace element in material entity [Term] id: CDNO:0200658 name: concentration of manganese(3+) in material entity def: "The concentration of manganese(3+) when measured in some material entity." [] synonym: "material entity manganese(3+) concentration" EXACT [] is_a: CDNO:0200657 ! concentration of dietary manganese in material entity [Term] id: CDNO:0200659 name: concentration of inorganic manganese salt in material entity def: "The concentration of inorganic manganese salt when measured in some material entity." [] synonym: "material entity inorganic manganese salt concentration" EXACT [] is_a: CDNO:0200657 ! concentration of dietary manganese in material entity [Term] id: CDNO:0200660 name: concentration of organic manganese salt in material entity def: "The concentration of organic manganese salt when measured in some material entity." [] synonym: "material entity organic manganese salt concentration" EXACT [] is_a: CDNO:0200657 ! concentration of dietary manganese in material entity [Term] id: CDNO:0200661 name: concentration of dietary molybdenum in material entity def: "The concentration of dietary molybdenum when measured in some material entity." [] synonym: "material entity dietary molybdenum concentration" EXACT [] is_a: CDNO:0200146 ! concentration of trace element in material entity [Term] id: CDNO:0200662 name: concentration of molybdenum(6+) in material entity def: "The concentration of molybdenum(6+) when measured in some material entity." [] synonym: "material entity molybdenum(6+) concentration" EXACT [] is_a: CDNO:0200661 ! concentration of dietary molybdenum in material entity [Term] id: CDNO:0200663 name: concentration of inorganic molybdenum salt in material entity def: "The concentration of inorganic molybdenum salt when measured in some material entity." [] synonym: "material entity inorganic molybdenum salt concentration" EXACT [] is_a: CDNO:0200661 ! concentration of dietary molybdenum in material entity [Term] id: CDNO:0200664 name: concentration of organic molybdenum salt in material entity def: "The concentration of organic molybdenum salt when measured in some material entity." [] synonym: "material entity organic molybdenum salt concentration" EXACT [] is_a: CDNO:0200661 ! concentration of dietary molybdenum in material entity [Term] id: CDNO:0200665 name: concentration of dietary selenium in material entity def: "The concentration of dietary selenium when measured in some material entity." [] synonym: "material entity dietary selenium concentration" EXACT [] is_a: CDNO:0200146 ! concentration of trace element in material entity [Term] id: CDNO:0200666 name: concentration of selenium(4+) in material entity def: "The concentration of selenium(4+) when measured in some material entity." [] synonym: "material entity selenium(4+) concentration" EXACT [] is_a: CDNO:0200665 ! concentration of dietary selenium in material entity [Term] id: CDNO:0200667 name: concentration of selenium(6+) in material entity def: "The concentration of selenium(6+) when measured in some material entity." [] synonym: "material entity selenium(6+) concentration" EXACT [] is_a: CDNO:0200665 ! concentration of dietary selenium in material entity [Term] id: CDNO:0200668 name: concentration of inorganic selenium salt in material entity def: "The concentration of inorganic selenium salt when measured in some material entity." [] synonym: "material entity inorganic selenium salt concentration" EXACT [] is_a: CDNO:0200665 ! concentration of dietary selenium in material entity [Term] id: CDNO:0200669 name: concentration of organic selenium salt in material entity def: "The concentration of organic selenium salt when measured in some material entity." [] synonym: "material entity organic selenium salt concentration" EXACT [] is_a: CDNO:0200665 ! concentration of dietary selenium in material entity [Term] id: CDNO:0200670 name: concentration of dietary zinc in material entity def: "The concentration of dietary zinc when measured in some material entity." [] synonym: "material entity dietary zinc concentration" EXACT [] is_a: CDNO:0200146 ! concentration of trace element in material entity [Term] id: CDNO:0200671 name: concentration of inorganic zinc salt in material entity def: "The concentration of inorganic zinc salt when measured in some material entity." [] synonym: "material entity inorganic zinc salt concentration" EXACT [] is_a: CDNO:0200670 ! concentration of dietary zinc in material entity [Term] id: CDNO:0200672 name: concentration of organic zinc salt in material entity def: "The concentration of organic zinc salt when measured in some material entity." [] synonym: "material entity organic zinc salt concentration" EXACT [] is_a: CDNO:0200670 ! concentration of dietary zinc in material entity [Term] id: CDNO:0200673 name: concentration of collagen in material entity def: "The concentration of collagen when measured in some material entity." [] synonym: "material entity collagen concentration" EXACT [] is_a: CDNO:0200040 ! concentration of protein in material entity [Term] id: CDNO:0200674 name: concentration of elastin in material entity def: "The concentration of elastin when measured in some material entity." [] synonym: "material entity elastin concentration" EXACT [] is_a: CDNO:0200040 ! concentration of protein in material entity [Term] id: CDNO:0200675 name: concentration of fibrin in material entity def: "The concentration of fibrin when measured in some material entity." [] synonym: "material entity fibrin concentration" EXACT [] is_a: CDNO:0200040 ! concentration of protein in material entity [Term] id: CDNO:0200676 name: concentration of hemoglobin in material entity def: "The concentration of hemoglobin when measured in some material entity." [] synonym: "material entity hemoglobin concentration" EXACT [] is_a: CDNO:0200040 ! concentration of protein in material entity [Term] id: CDNO:0200677 name: concentration of myoglobin in material entity def: "The concentration of myoglobin when measured in some material entity." [] synonym: "material entity myoglobin concentration" EXACT [] is_a: CDNO:0200040 ! concentration of protein in material entity [Term] id: CDNO:0200678 name: concentration of beta-lactoglobulin in material entity def: "The concentration of beta-lactoglobulin when measured in some material entity." [] synonym: "material entity beta-lactoglobulin concentration" EXACT [] is_a: CDNO:0200040 ! concentration of protein in material entity [Term] id: CDNO:0200679 name: concentration of napin in material entity def: "The concentration of napin when measured in some material entity." [] synonym: "material entity napin concentration" EXACT [] is_a: CDNO:0200040 ! concentration of protein in material entity [Term] id: CDNO:0200680 name: concentration of gliadin in material entity def: "The concentration of gliadin when measured in some material entity." [] synonym: "material entity gliadin concentration" EXACT [] is_a: CDNO:0200040 ! concentration of protein in material entity [Term] id: CDNO:0200681 name: concentration of L-fucose in material entity def: "The concentration of L-fucose when measured in some material entity." [] synonym: "material entity L-fucose concentration" EXACT [] is_a: CDNO:0200018 ! concentration of fucose in material entity [Term] id: CDNO:0200682 name: concentration of D-xylose in material entity def: "The concentration of D-xylose when measured in some material entity." [] synonym: "material entity D-xylose concentration" EXACT [] is_a: CDNO:0200019 ! concentration of xylose in material entity [Term] id: CDNO:0200683 name: concentration of L-arabinofuranose in material entity def: "The concentration of L-arabinofuranose when measured in some material entity." [] synonym: "material entity L-arabinofuranose concentration" EXACT [] is_a: CDNO:0200020 ! concentration of arabinose in material entity [Term] id: CDNO:0200684 name: concentration of L-arabinopyranose in material entity def: "The concentration of L-arabinopyranose when measured in some material entity." [] synonym: "material entity L-arabinopyranose concentration" EXACT [] is_a: CDNO:0200020 ! concentration of arabinose in material entity [Term] id: CDNO:0200685 name: concentration of lactose in material entity def: "The concentration of lactose when measured in some material entity." [] synonym: "material entity lactose concentration" EXACT [] xref: INFOODs: LACS is_a: CDNO:0200024 ! concentration of disaccharide in material entity is_a: CDNO:0200034 ! concentration of free sugar in material entity [Term] id: CDNO:0200686 name: concentration of lactulose in material entity def: "The concentration of lactulose when measured in some material entity." [] synonym: "material entity lactulose concentration" EXACT [] is_a: CDNO:0200024 ! concentration of disaccharide in material entity [Term] id: CDNO:0200687 name: concentration of D-mannose in material entity def: "The concentration of D-mannose when measured in some material entity." [] synonym: "material entity D-mannose concentration" EXACT [] is_a: CDNO:0200022 ! concentration of mannose in material entity [Term] id: CDNO:0200688 name: concentration of _-D-Gal-(1_3)-_-D-GlcNAc-(1_3)-_-D-Gal-(1_4)-D-Glc in material entity def: "The concentration of _-D-Gal-(1_3)-_-D-GlcNAc-(1_3)-_-D-Gal-(1_4)-D-Glc when measured in some material entity." [] synonym: "material entity _-D-Gal-(1_3)-_-D-GlcNAc-(1_3)-_-D-Gal-(1_4)-D-Glc concentration" EXACT [] is_a: CDNO:0200028 ! concentration of oligosaccharide in material entity [Term] id: CDNO:0200689 name: concentration of dextrins in material entity def: "The concentration of dextrins when measured in some material entity." [] synonym: "material entity dextrins concentration" EXACT [] xref: INFOODs: DEXTN is_a: CDNO:0200468 ! concentration of glucan in material entity [Term] id: CDNO:0200690 name: concentration of maltodextrin in material entity def: "The concentration of maltodextrin when measured in some material entity." [] synonym: "material entity maltodextrin concentration" EXACT [] xref: INFOODs: MALTDEX is_a: CDNO:0200689 ! concentration of dextrins in material entity [Term] id: CDNO:0200691 name: concentration of cyclodextrin in material entity def: "The concentration of cyclodextrin when measured in some material entity." [] synonym: "material entity cyclodextrin concentration" EXACT [] is_a: CDNO:0200690 ! concentration of maltodextrin in material entity [Term] id: CDNO:0200692 name: concentration of amylodextrin in material entity def: "The concentration of amylodextrin when measured in some material entity." [] synonym: "material entity amylodextrin concentration" EXACT [] is_a: CDNO:0200689 ! concentration of dextrins in material entity [Term] id: CDNO:0200693 name: concentration of cellodextrin in material entity def: "The concentration of cellodextrin when measured in some material entity." [] synonym: "material entity cellodextrin concentration" EXACT [] is_a: CDNO:0200689 ! concentration of dextrins in material entity [Term] id: CDNO:0200694 name: concentration of gum in material entity def: "The concentration of gum when measured in some material entity." [] synonym: "material entity gum concentration" EXACT [] xref: INFOODs: GUMS is_a: CDNO:0200006 ! concentration of polysaccharide in material entity [Term] id: CDNO:0200695 name: concentration of heteroglycan in material entity def: "The concentration of heteroglycan when measured in some material entity." [] synonym: "material entity heteroglycan concentration" EXACT [] is_a: CDNO:0200694 ! concentration of gum in material entity [Term] id: CDNO:0200696 name: concentration of alginic acid in material entity def: "The concentration of alginic acid when measured in some material entity." [] synonym: "material entity alginic acid concentration" EXACT [] is_a: CDNO:0200695 ! concentration of heteroglycan in material entity [Term] id: CDNO:0200697 name: concentration of carrageenan in material entity def: "The concentration of carrageenan when measured in some material entity." [] synonym: "material entity carrageenan concentration" EXACT [] is_a: CDNO:0200694 ! concentration of gum in material entity [Term] id: CDNO:0200698 name: concentration of ι-carrageenan in material entity def: "The concentration of ι-carrageenan when measured in some material entity." [] synonym: "material entity ι-carrageenan concentration" EXACT [] is_a: CDNO:0200697 ! concentration of carrageenan in material entity [Term] id: CDNO:0200699 name: concentration of κ-carrageenan in material entity def: "The concentration of κ-carrageenan when measured in some material entity." [] synonym: "material entity κ-carrageenan concentration" EXACT [] is_a: CDNO:0200697 ! concentration of carrageenan in material entity [Term] id: CDNO:0200700 name: concentration of λ-carrageenan in material entity def: "The concentration of λ-carrageenan when measured in some material entity." [] synonym: "material entity λ-carrageenan concentration" EXACT [] is_a: CDNO:0200697 ! concentration of carrageenan in material entity [Term] id: CDNO:0200701 name: concentration of xanthan in material entity def: "The concentration of xanthan when measured in some material entity." [] synonym: "material entity xanthan concentration" EXACT [] is_a: CDNO:0200694 ! concentration of gum in material entity [Term] id: CDNO:0200702 name: concentration of ketose in material entity def: "The concentration of ketose when measured in some material entity." [] synonym: "material entity ketose concentration" EXACT [] is_a: CDNO:0200012 ! concentration of monosaccharide in material entity [Term] id: CDNO:0200703 name: concentration of ketohexose in material entity def: "The concentration of ketohexose when measured in some material entity." [] synonym: "material entity ketohexose concentration" EXACT [] is_a: CDNO:0200702 ! concentration of ketose in material entity [Term] id: CDNO:0200704 name: concentration of psicose in material entity def: "The concentration of psicose when measured in some material entity." [] synonym: "material entity psicose concentration" EXACT [] is_a: CDNO:0200703 ! concentration of ketohexose in material entity [Term] id: CDNO:0200705 name: concentration of polyol in material entity def: "The concentration of polyol when measured in some material entity." [] synonym: "material entity polyol concentration" EXACT [] xref: INFOODs: POLYL is_a: CDNO:0200005 ! concentration of carbohydrate in material entity is_a: CDNO:0200215 ! concentration of plant secondary metabolite in material entity [Term] id: CDNO:0200706 name: concentration of maltitol in material entity def: "The concentration of maltitol when measured in some material entity." [] synonym: "material entity maltitol concentration" EXACT [] xref: INFOODs: MALTL is_a: CDNO:0200444 ! concentration of polyol in material entity is_a: CDNO:0200705 ! concentration of polyol in material entity [Term] id: CDNO:0200707 name: concentration of mannitol in material entity def: "The concentration of mannitol when measured in some material entity." [] synonym: "material entity mannitol concentration" EXACT [] xref: INFOODs: MANTL is_a: CDNO:0200444 ! concentration of polyol in material entity is_a: CDNO:0200705 ! concentration of polyol in material entity [Term] id: CDNO:0200708 name: concentration of glycerol in material entity def: "The concentration of glycerol when measured in some material entity." [] synonym: "material entity glycerol concentration" EXACT [] xref: INFOODs: GLYRL is_a: CDNO:0200444 ! concentration of polyol in material entity is_a: CDNO:0200705 ! concentration of polyol in material entity [Term] id: CDNO:0200709 name: concentration of glucitol in material entity def: "The concentration of glucitol when measured in some material entity." [] synonym: "material entity glucitol concentration" EXACT [] is_a: CDNO:0200444 ! concentration of polyol in material entity is_a: CDNO:0200705 ! concentration of polyol in material entity [Term] id: CDNO:0200710 name: concentration of xylitol in material entity def: "The concentration of xylitol when measured in some material entity." [] synonym: "material entity xylitol concentration" EXACT [] xref: INFOODs: XYLTL is_a: CDNO:0200444 ! concentration of polyol in material entity is_a: CDNO:0200705 ! concentration of polyol in material entity [Term] id: CDNO:0200711 name: concentration of lactitol in material entity def: "The concentration of lactitol when measured in some material entity." [] synonym: "material entity lactitol concentration" EXACT [] xref: INFOODs: LACTL is_a: CDNO:0200444 ! concentration of polyol in material entity is_a: CDNO:0200705 ! concentration of polyol in material entity [Term] id: CDNO:0200712 name: concentration of isomalt in material entity def: "The concentration of isomalt when measured in some material entity." [] synonym: "material entity isomalt concentration" EXACT [] xref: INFOODs: ISOMALT is_a: CDNO:0200444 ! concentration of polyol in material entity is_a: CDNO:0200705 ! concentration of polyol in material entity [Term] id: CDNO:0200713 name: concentration of erythritol in material entity def: "The concentration of erythritol when measured in some material entity." [] synonym: "material entity erythritol concentration" EXACT [] xref: INFOODs: ERYTHL is_a: CDNO:0200444 ! concentration of polyol in material entity is_a: CDNO:0200705 ! concentration of polyol in material entity [Term] id: CDNO:0200714 name: concentration of alditol in material entity def: "The concentration of alditol when measured in some material entity." [] synonym: "material entity alditol concentration" EXACT [] is_a: CDNO:0200444 ! concentration of polyol in material entity is_a: CDNO:0200705 ! concentration of polyol in material entity [Term] id: CDNO:0200715 name: concentration of D-galacturonic acid in material entity def: "The concentration of D-galacturonic acid when measured in some material entity." [] synonym: "material entity D-galacturonic acid concentration" EXACT [] is_a: CDNO:0200017 ! concentration of galacturonic acid in material entity [Term] id: CDNO:0200716 name: concentration of 6-O-_-D-glucopyranosyl-D-fructofuranose in material entity def: "The concentration of 6-O-_-D-glucopyranosyl-D-fructofuranose when measured in some material entity." [] synonym: "material entity 6-O-_-D-glucopyranosyl-D-fructofuranose concentration" EXACT [] is_a: CDNO:0200024 ! concentration of disaccharide in material entity [Term] id: CDNO:0200717 name: concentration of sialic acid in material entity def: "The concentration of sialic acid when measured in some material entity." [] synonym: "material entity sialic acid concentration" EXACT [] is_a: CDNO:0200005 ! concentration of carbohydrate in material entity [Term] id: CDNO:0200718 name: concentration of Polydextrose in material entity def: "The concentration of Polydextrose when measured in some material entity." [] synonym: "material entity Polydextrose concentration" EXACT [] is_a: CDNO:0200005 ! concentration of carbohydrate in material entity [Term] id: CDNO:0200719 name: concentration of chitosan in material entity def: "The concentration of chitosan when measured in some material entity." [] synonym: "material entity chitosan concentration" EXACT [] is_a: CDNO:0200005 ! concentration of carbohydrate in material entity [Term] id: CDNO:0300001 name: nutritional functional attribute def: "A functional attribute that inheres in one or more dietary nutritional component (or food material) and may contribute to a dietary role." [] comment: The parent term can be changed at any point is_a: PATO:0000001 ! quality [Term] id: CDNO:0400001 name: dietary material physical attribute def: "A physical property that inheres in a food material or one or more dietary nutritional component" [] is_a: PATO:0001018 ! physical quality [Term] id: CDNO:0500001 name: dietary role def: "A biological role that may be assigned to a dietary chemical component based on evidence that supports a role defined at the levels of molecular interaction, cellular process or physiological role." [] is_a: BFO:0000023 ! role [Term] id: CHEBI:10223 name: alpha-cryptoxanthin name: α-cryptoxanthin namespace: chebi_ontology def: "A carotenol, the structure of which is (6'R)-beta,epsilon-carotene hydroxy-substituted at C-3' with R-stereochemistry." [] subset: 3_STAR synonym: "(3'R,6'R)-beta,epsilon-caroten-3'-ol" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-Cryptoxanthin" EXACT [KEGG_COMPOUND] synonym: "alpha-cryptoxanthin" EXACT [] synonym: "alpha-cryptoxanthin" EXACT [UniProt] xref: Beilstein:2342912 {source="Beilstein"} xref: CAS:24480-38-4 {source="KEGG COMPOUND"} xref: KEGG:C15981 xref: LIPID_MAPS_instance:LMPR01070268 {source="LIPID MAPS"} xref: PMID:16923233 {source="Europe PMC"} xref: PMID:19813226 {source="Europe PMC"} xref: PMID:2262812 {source="Europe PMC"} is_a: CHEBI:27325 ! xanthophyll property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C40H56O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,28,36,38,41H,15,22,27,29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,38-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ORAKUVXRZWMARG-XBBNTEQGSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "552.87200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "552.43312" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(\\C=C\\C=C(C)\\C=C\\[C@H]1C(C)=C[C@H](O)CC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C" xsd:string [Term] id: CHEBI:10362 name: beta-cryptoxanthin name: β-cryptoxanthin namespace: chebi_ontology def: "A carotenol that exhibits antioxidant activity. It has been isolated from fruits such as papaya and oranges." [] subset: 3_STAR synonym: "(3R)-beta,beta-caroten-3-ol" EXACT IUPAC_NAME [IUPAC] synonym: "beta-Cryptoxanthin" EXACT [KEGG_COMPOUND] synonym: "beta-cryptoxanthin" EXACT [] synonym: "beta-cryptoxanthin" EXACT [UniProt] synonym: "cryptoxanthin" RELATED [ChemIDplus] xref: Beilstein:2230123 {source="Beilstein"} xref: CAS:472-70-8 {source="ChemIDplus"} xref: CAS:472-70-8 {source="KEGG COMPOUND"} xref: HMDB:HMDB0033844 xref: KEGG:C08591 xref: KNApSAcK:C00000920 xref: LIPID_MAPS_instance:LMPR01070269 {source="LIPID MAPS"} xref: MetaCyc:CPD-7409 xref: PMID:15386932 {source="Europe PMC"} xref: PMID:19703237 {source="Europe PMC"} xref: Reaxys:2230123 {source="Reaxys"} xref: Wikipedia:Cryptoxanthin is_a: CHEBI:27325 ! xanthophyll property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C40H56O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DMASLKHVQRHNES-FKKUPVFPSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "552.87204" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "552.43312" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(\\C=C\\C=C(C)\\C=C\\C1=C(C)CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C" xsd:string [Term] id: CHEBI:10583 name: kappa-carrageenan name: κ-carrageenan namespace: chebi_ontology subset: 3_STAR synonym: "(1->4)-3,6-anhydro-alpha-D-galactopyranosyl-(1->3)-4-O-sulfonato-beta-D-galactopyranan" EXACT IUPAC_NAME [IUPAC] synonym: "kappa-Carrageenan" EXACT [KEGG_COMPOUND] synonym: "kappa-carrageenans" RELATED [UniProt] xref: Beilstein:8971047 {source="Beilstein"} xref: CAS:11114-20-8 {source="ChemIDplus"} xref: CAS:11114-20-8 {source="KEGG COMPOUND"} xref: KEGG:C02607 is_a: CHEBI:3435 ! carrageenan property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "(C12H17O12S)n" xsd:string [Term] id: CHEBI:108 name: (-)-phaseolin name: (−)-phaseolin namespace: chebi_ontology def: "A prenylated member of the class of pterocarpans and an organic heteropentacyclic compound that is 2,3,6b,12b-tetrahydro-1H,7H-chromeno[6',5':4,5]furo[3,2-c]chromen-10-ol in which both of the hydrogens at position 3 have been replaced by methyl groups (the R,R stereoisomer). It is found in found in the seeds of Phaseolus vulgaris (French bean) and in the stems of Erythrina subumbrans." [] subset: 3_STAR synonym: "(-)-Phaseollin" RELATED [KEGG_COMPOUND] synonym: "(6bR,12bR)-3,3-dimethyl-2,3,6b,12b-tetrahydro-1H,7H-chromeno[6',5':4,5]furo[3,2-c]chromen-10-ol" EXACT IUPAC_NAME [IUPAC] synonym: "phaseolin" RELATED [KEGG_COMPOUND] synonym: "phaseollin" RELATED [ChEBI] xref: CAS:13401-40-6 {source="KEGG COMPOUND"} xref: CAS:13401-40-6 {source="ChemIDplus"} xref: HMDB:HMDB0034173 xref: KEGG:C10514 xref: KNApSAcK:C00002559 xref: LIPID_MAPS_instance:LMPK12070020 {source="LIPID MAPS"} xref: PMID:17964704 {source="Europe PMC"} xref: Wikipedia:Phaseolin_(pterocarpan) is_a: CHEBI:26377 ! pterocarpans property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H20O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H20O4/c1-20(2)8-7-14-16(24-20)6-5-12-15-10-22-17-9-11(21)3-4-13(17)19(15)23-18(12)14/h3-6,9,15,19,21H,7-8,10H2,1-2H3/t15-,19-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YAHJJEDSBUXVRQ-KXBFYZLASA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "324.371" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "324.13616" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C12=C3C(=CC=C2OC(CC1)(C)C)[C@]4([C@@](O3)(C=5C=CC(O)=CC5OC4)[H])[H]" xsd:string [Term] id: CHEBI:11750 name: 3-sn-phosphatidyl-L-serine namespace: chebi_ontology alt_id: CHEBI:64388 def: "A 3-sn-glycerophosphoserine compound having acyl substituents at the 1- and 2-hydroxy positions." [] subset: 3_STAR synonym: "1,2-diacyl-sn-glycero-3-phospho-L-serine" RELATED [ChEBI] synonym: "1,2-diacyl-sn-glycerol 3-phospho-L-serine" RELATED [LIPID_MAPS] synonym: "1-D-phosphatidyl-L-serine" RELATED [ChEBI] synonym: "3-L-phosphatidyl-L-serine" RELATED [ChEBI] synonym: "3-O-sn-phosphatidyl-L-serine" RELATED [KEGG_COMPOUND] synonym: "3-sn-phosphatidyl-L-serines" RELATED [KEGG_COMPOUND] synonym: "L-alpha-phosphatidylserine" RELATED [ChEBI] synonym: "phosphatidylserine" EXACT [] xref: KEGG:C02737 xref: LIPID_MAPS_instance:LMGP03010000 {source="LIPID MAPS"} xref: PMID:16341241 {source="Europe PMC"} is_a: CHEBI:190516 ! organic phosphate compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H12NO10PR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "313.156" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "313.01988" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](COP(O)(=O)OC[C@@H](COC([*])=O)OC([*])=O)C(O)=O" xsd:string [Term] id: CHEBI:125451 name: 3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one namespace: chebi_ontology subset: 2_STAR synonym: "silymarin" RELATED [] xref: HMDB:HMDB0030583 xref: LINCS:LSM-36943 is_a: CHEBI:25036 ! lignan property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C25H22O10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SEBFKMXJBCUCAI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "482.437" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "482.12130" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O" xsd:string [Term] id: CHEBI:12777 name: vitamin A namespace: chebi_ontology def: "Any member of a group of fat-soluble retinoids produced via metabolism of provitamin A carotenoids that exhibit biological activity against vitamin A deficiency. Vitamin A is involved in immune function, vision, reproduction, and cellular communication." [] subset: 3_STAR synonym: "vitamin A vitamer" RELATED [ChEBI] synonym: "vitamin A vitamers" RELATED [ChEBI] synonym: "vitamin-A" RELATED [ChEBI] synonym: "vitamins A" RELATED [ChEBI] xref: MetaCyc:Vitamin-A xref: Wikipedia:Vitamin_A is_a: CDNO:0000014 ! vitamin (molecular entity) [Term] id: CHEBI:131371 name: iron(3+) phosphate namespace: chebi_ontology def: "An inorganic phosphate having Fe(3+) as the counterion." [] subset: 3_STAR synonym: "FePO4" RELATED [ChEBI] synonym: "Ferric orthophosphate" RELATED [ChemIDplus] synonym: "ferric phosphate" RELATED [ChEBI] synonym: "Iron orthophosphate" RELATED [ChemIDplus] synonym: "Iron phosphate" RELATED [ChemIDplus] synonym: "iron(3+) phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "iron(III) phosphate" RELATED [ChEBI] xref: CAS:10045-86-0 {source="ChemIDplus"} xref: PMID:25582353 {source="Europe PMC"} xref: PPDB:1478 xref: Reaxys:11343340 {source="Reaxys"} xref: Wikipedia:Iron(III)_phosphate is_a: CDNO:0000026 ! dietary iron is_a: CHEBI:190300 ! inorganic phosphate salt property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "FeO4P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Fe.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WBJZTOZJJYAKHQ-UHFFFAOYSA-K" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "150.817" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "150.88836" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Fe+3].[O-]P([O-])(=O)[O-]" xsd:string [Term] id: CHEBI:131693 name: 7,10,13,16-docosatetraenoic acid namespace: chebi_ontology def: "A docosatetraenoic acid in which the four double bonds are located at positions 7, 10, 13 and 16 (geometry unspecified)." [] subset: 3_STAR synonym: "docosa-7,10,13,16-tetraenoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "docosatetraenoic acid" RELATED [] xref: Chemspider:1955 xref: Reaxys:1914610 {source="Reaxys"} is_a: CHEBI:36009 ! ω−6 fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H36O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,23,24)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TWSWSIQAPQLDBP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "332.521" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "332.27153" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)CCCCCC=CCC=CCC=CCC=CCCCCC" xsd:string [Term] id: CHEBI:132141 name: 1,2-naphthoquinones name: 1,2-napthoquinone namespace: chebi_ontology def: "Any napthoquinone in which the oxo groups of the quinone moiety are at the 1 and 2 positions of the naphthalene ring." [] subset: 3_STAR is_a: CHEBI:25481 ! naphthoquinone [Term] id: CHEBI:132142 name: 1,4-naphthoquinones name: 1,4-napthoquinone namespace: chebi_ontology def: "A naphthoquinone in which the oxo groups of the quinone moiety are at positions 1 and 4 of the parent naphthalene ring." [] subset: 3_STAR is_a: CHEBI:25481 ! naphthoquinone [Term] id: CHEBI:132764 name: sodium oxalate namespace: chebi_ontology def: "An organic sodium salt consisting of sodium and oxalate ions in a 2:1 ratio." [] subset: 3_STAR synonym: "disodium ethanedioate" EXACT IUPAC_NAME [IUPAC] synonym: "Disodium oxalate" RELATED [ChemIDplus] synonym: "Ethanedioic acid, disodium salt" RELATED [ChemIDplus] synonym: "Natriumoxalat" RELATED [ChemIDplus] synonym: "Oxalic acid, disodium salt" RELATED [ChemIDplus] xref: CAS:62-76-0 {source="NIST Chemistry WebBook"} xref: CAS:62-76-0 {source="ChemIDplus"} xref: PMID:26898643 {source="Europe PMC"} xref: PMID:26974482 {source="Europe PMC"} xref: PMID:27064297 {source="Europe PMC"} xref: PMID:27085940 {source="Europe PMC"} xref: Reaxys:3631622 {source="Reaxys"} xref: Wikipedia:Sodium_oxalate is_a: CHEBI:38700 ! organic sodium salt property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2Na2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H2O4.2Na/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZNCPFRVNHGOPAG-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "133.999" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "133.95920" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(C(=O)[O-])(=O)[O-].[Na+].[Na+]" xsd:string [Term] id: CHEBI:133348 name: glycitein 7-(6-O-acetyl-beta-D-glucoside) name: glycitein 7-(6-O-acetyl-β-D-glucoside) namespace: chebi_ontology def: "A glycosyloxyisoflavone that is glycitin carrying an acetyl substituent at position 6 on the glucose moiety." [] subset: 3_STAR synonym: "3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-1-benzopyran-7-yl 6-O-acetyl-beta-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "6''-O-Acetylglycitin" RELATED [HMDB] synonym: "7,4'-Dihydroxy-6-methoxyisoflavone 7-O-(6''-acetylglucoside)" RELATED [KNApSAcK] synonym: "acetyl glycitin" RELATED [] synonym: "Acetylglycitin" RELATED [ChemIDplus] synonym: "Glycitein 6''-O-acetylglucoside" RELATED [ChemIDplus] synonym: "Glycitein 7-(6-O-acetyl-beta-D-glucopyranoside)" RELATED [ChemIDplus] synonym: "glycitein 7-O-beta-D-(6''-O-acetyl)glucopyranoside" RELATED [ChEBI] synonym: "glycitein 7-O-beta-D-(6''-O-acetyl)glucoside" RELATED [ChEBI] synonym: "Glycitin 6''-O-acetate" RELATED [ChemIDplus] xref: AGR:IND43644848 {source="Europe PMC"} xref: AGR:IND44656670 {source="Europe PMC"} xref: AGR:IND604381583 {source="Europe PMC"} xref: CAS:134859-96-4 {source="ChemIDplus"} xref: Chemspider:8403585 xref: HMDB:HMDB0039489 xref: KNApSAcK:C00019122 xref: PMID:11879011 {source="Europe PMC"} xref: PMID:16038195 {source="Europe PMC"} xref: PMID:18729453 {source="Europe PMC"} xref: PMID:19256558 {source="Europe PMC"} xref: PMID:21614173 {source="Europe PMC"} xref: PMID:22980879 {source="Europe PMC"} xref: PMID:9848519 {source="Europe PMC"} xref: Reaxys:4341444 {source="Reaxys"} is_a: CHEBI:74630 ! glycosyloxyisoflavone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C24H24O11" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C24H24O11/c1-11(25)32-10-19-21(28)22(29)23(30)24(35-19)34-18-8-16-14(7-17(18)31-2)20(27)15(9-33-16)12-3-5-13(26)6-4-12/h3-9,19,21-24,26,28-30H,10H2,1-2H3/t19-,21-,22+,23-,24-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DUBPGEJGGVZKDD-PFKOEMKTSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "488.442" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "488.13186" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=C(C=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)OC)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)COC(=O)C" xsd:string [Term] id: CHEBI:136609 name: theaflavin namespace: chebi_ontology def: "A biflavonoid that is 3,4,5-trihydroxybenzocyclohepten-6-one which is substituted at positions 1 and 8 by (2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl groups. It is the main red pigment in black tea." [] subset: 3_STAR synonym: "(-)-theaflavin" RELATED [ChEBI] synonym: "1,8-bis((2R,3R)-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3,4,6-trihydroxy-5H-benzocyclohepten-5-one" RELATED [ChemIDplus] synonym: "1,8-bis(3-alpha,5,7-trihydroxy-2-alpha-chromanyl)-5H-benzocyclohepten-5-one" RELATED [ChemIDplus] synonym: "3,4,5-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-6H-benzo[7]annulen-6-one" RELATED [IUPAC] synonym: "3,4,5-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-6H-benzocyclohepten-6-one" EXACT IUPAC_NAME [IUPAC] synonym: "theaflavine" RELATED [ChemIDplus] xref: CAS:4670-05-7 {source="ChemIDplus"} xref: Chemspider:102754 xref: FooDB:FDB012511 xref: HMDB:HMDB0005788 xref: KNApSAcK:C00009348 xref: Patent:KR20080052675 xref: PMID:26386739 {source="Europe PMC"} xref: PMID:26851019 {source="Europe PMC"} xref: PMID:27237789 {source="Europe PMC"} xref: PMID:27756182 {source="Europe PMC"} xref: PMID:27838465 {source="Europe PMC"} xref: PMID:28190756 {source="Europe PMC"} xref: PMID:28381812 {source="Europe PMC"} xref: PMID:28639145 {source="Europe PMC"} xref: PMID:28939421 {source="Europe PMC"} xref: Reaxys:25497520 {source="Reaxys"} xref: Wikipedia:Theaflavin is_a: CHEBI:26267 ! proanthocyanidin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C29H24O12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C29H24O12/c30-11-3-17(32)15-8-21(36)28(40-23(15)5-11)10-1-13-14(7-20(35)27(39)25(13)26(38)19(34)2-10)29-22(37)9-16-18(33)4-12(31)6-24(16)41-29/h1-7,21-22,28-33,35-37,39H,8-9H2,(H,34,38)/t21-,22-,28-,29-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IPMYMEWFZKHGAX-ZKSIBHASSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "564.495" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "564.12678" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[C@@]1(OC=2C=C(O)C=C(O)C2C[C@H]1O)([H])C3=CC(=O)C(=C4C(=C3)C([C@]5(OC=6C=C(O)C=C(O)C6C[C@H]5O)[H])=CC(O)=C4O)O" xsd:string [Term] id: CHEBI:136666 name: eupatorin namespace: chebi_ontology def: "A trimethoxyflavone that is 6-hydroxyluteolin in which the phenolic hydogens at positions 4', 6 and 7 have been replaced by methyl groups." [] subset: 3_STAR synonym: "3',5-Dihydroxy-4',6,7-trimethoxyflavone" RELATED [KNApSAcK] synonym: "5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "Eupatorine" RELATED [ChemIDplus] xref: AGR:IND43745404 {source="Europe PMC"} xref: AGR:IND605417569 {source="Europe PMC"} xref: CAS:855-96-9 {source="NIST Chemistry WebBook"} xref: CAS:855-96-9 {source="ChemIDplus"} xref: Chemspider:87743 xref: KNApSAcK:C00003894 xref: LIPID_MAPS_instance:LMPK12111239 {source="LIPID MAPS"} xref: PMID:18454852 {source="Europe PMC"} xref: PMID:19601638 {source="Europe PMC"} xref: PMID:22227008 {source="Europe PMC"} xref: PMID:22516932 {source="Europe PMC"} xref: PMID:22698713 {source="Europe PMC"} xref: PMID:22898066 {source="Europe PMC"} xref: PMID:23839090 {source="Europe PMC"} xref: PMID:24422962 {source="Europe PMC"} xref: PMID:25390937 {source="Europe PMC"} xref: PMID:25442272 {source="Europe PMC"} xref: PMID:25598631 {source="Europe PMC"} xref: PMID:26281557 {source="Europe PMC"} xref: PMID:26322527 {source="Europe PMC"} xref: PMID:26404257 {source="Europe PMC"} xref: PMID:26649063 {source="Europe PMC"} xref: PMID:26983579 {source="Europe PMC"} xref: PMID:27187805 {source="Europe PMC"} xref: PMID:27370961 {source="Europe PMC"} xref: PMID:27470387 {source="Europe PMC"} xref: PMID:27679866 {source="Europe PMC"} xref: PMID:27695261 {source="Europe PMC"} xref: PMID:27834876 {source="Europe PMC"} xref: PMID:27991400 {source="Europe PMC"} xref: PMID:28044092 {source="Europe PMC"} xref: PMID:28347190 {source="Europe PMC"} xref: PMID:29373904 {source="Europe PMC"} xref: PMID:5847037 {source="Europe PMC"} xref: PMID:905420 {source="Europe PMC"} xref: Reaxys:1355109 {source="Reaxys"} is_a: CHEBI:42491 ! flavone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H16O7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H16O7/c1-22-12-5-4-9(6-10(12)19)13-7-11(20)16-14(25-13)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KLAOKWJLUQKWIF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "344.316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "344.08960" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O1C=2C(=C(O)C(OC)=C(OC)C2)C(=O)C=C1C3=CC(O)=C(OC)C=C3" xsd:string [Term] id: CHEBI:140677 name: 4-hydroxy-all-trans-beta-carotene name: 4-hydroxy-all-trans-β-carotene namespace: chebi_ontology def: "A beta-carotene carrying one additional hydroxy substituent at position 4." [] subset: 2_STAR synonym: "4-hydroxy-all-trans-beta-carotene" EXACT [UniProt] synonym: "4-hydroxy-beta-carotene" RELATED [SUBMITTER] synonym: "beta-caroten-4-ol" RELATED [SUBMITTER] synonym: "isocryptoxanthin" RELATED [SUBMITTER] synonym: "trans-beta-carotene" RELATED [] xref: MetaCyc:CPD-17650 {source="SUBMITTER"} xref: PMID:15659105 {source="SUBMITTER"} is_a: CHEBI:23042 ! carotene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C40H56O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26,38,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JCRCKXUPYKELBT-QQGJMDNJSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "552.874" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "552.43312" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=C(C(CCC1(C)C)O)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(CCCC2(C)C)C)\\C)\\C)/C)/C" xsd:string [Term] id: CHEBI:142263 name: isopeonidin 3-rutinoside namespace: chebi_ontology subset: 2_STAR xref: Chemspider:30777638 {source="SUBMITTER"} xref: HMDB:HMDB0041753 is_a: CHEBI:38695 ! anthocyanidin property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C28H33O15" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C28H32O15/c1-10-20(32)22(34)24(36)27(40-10)39-9-19-21(33)23(35)25(37)28(43-19)42-18-8-13-14(30)6-12(29)7-17(13)41-26(18)11-3-4-16(38-2)15(31)5-11/h3-8,10,19-25,27-28,32-37H,9H2,1-2H3,(H2-,29,30,31)/p+1/t10-,19+,20-,21+,22+,23-,24+,25+,27+,28+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CLKYQBTVJZYKOK-HUJUZFAXSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "609.554" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "609.18140" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O(C1=CC=2C(O)=CC(O)=CC2[O+]=C1C3=CC=C(C(=C3)O)OC)[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@@H]([C@H]([C@H]5O)O)O)[C@H]([C@@H]([C@H]4O)O)O" xsd:string [Term] id: CHEBI:150326 name: isomalt namespace: chebi_ontology def: "A glycosyl alditol consisting of alpha-D-glucopyranose and D-mannitol residues joined in sequence by a (1->1) glycosidic bond." [] subset: 3_STAR synonym: "1-O-alpha-D-glucopyranosyl-D-mannitol" EXACT IUPAC_NAME [IUPAC] synonym: "1-O-alpha-D-glucopyranosyl-D-mannitol" RELATED [ChEBI] synonym: "palatinit" RELATED [ChemIDplus] synonym: "WURCS=2.0/2,2,1/[h1122h][a2122h-1a_1-5]/1-2/a6-b1" RELATED [SUBMITTER] xref: CAS:64519-82-0 {source="ChemIDplus"} xref: GlyGen:G41158BG xref: GlyTouCan:G41158BG xref: PMID:27059921 {source="Europe PMC"} xref: PMID:29341910 {source="Europe PMC"} xref: PMID:30267819 {source="Europe PMC"} xref: PMID:31678381 {source="Europe PMC"} xref: Wikipedia:Isomalt is_a: CHEBI:26191 ! polyol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H24O11" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H24O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4-21H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11-,12+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SERLAGPUMNYUCK-DCUALPFSSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "344.313" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "344.13186" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@H]1OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CO" xsd:string [Term] id: CHEBI:15138 name: sulfide(2-) name: sulfide(2−) namespace: chebi_ontology def: "A divalent inorganic anion obtained by removal of both protons from hydrogen sulfide." [] subset: 3_STAR synonym: "S(2-)" RELATED [IUPAC] synonym: "sulfanediide" EXACT IUPAC_NAME [IUPAC] synonym: "Sulfide" RELATED [ChemIDplus] synonym: "sulfide(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "sulphide" RELATED [ChEBI] xref: CAS:18496-25-8 {source="ChemIDplus"} xref: UM-BBD_compID:c0569 {source="UM-BBD"} is_a: CDNO:0000021 ! dietary sulfur property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/S/q-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UCKMPCXJQFINFW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "32.06600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "31.97317" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[S--]" xsd:string [Term] id: CHEBI:15354 name: choline namespace: chebi_ontology alt_id: CHEBI:13985 alt_id: CHEBI:23212 alt_id: CHEBI:3665 alt_id: CHEBI:41524 def: "A choline that is the parent compound of the cholines class, consisting of ethanolamine having three methyl substituents attached to the amino function." [] subset: 3_STAR synonym: "2-hydroxy-N,N,N-trimethylethanaminium" EXACT IUPAC_NAME [IUPAC] synonym: "Bilineurine" RELATED [KEGG_COMPOUND] synonym: "Choline" EXACT [KEGG_COMPOUND] synonym: "choline" EXACT [UniProt] synonym: "CHOLINE ION" RELATED [PDBeChem] synonym: "N,N,N-trimethylethanol-ammonium" RELATED [ChEBI] synonym: "N-trimethylethanolamine" RELATED [ChEBI] synonym: "trimethylethanolamine" RELATED [ChEBI] xref: Beilstein:1736748 {source="Beilstein"} xref: CAS:62-49-7 {source="ChemIDplus"} xref: CAS:62-49-7 {source="KEGG COMPOUND"} xref: Drug_Central:3097 {source="DrugCentral"} xref: DrugBank:DB00122 xref: ECMDB:ECMDB00097 xref: Gmelin:324597 {source="Gmelin"} xref: HMDB:HMDB0000097 xref: KEGG:C00114 xref: KEGG:D07690 xref: KNApSAcK:C00007298 xref: MetaCyc:CHOLINE xref: PDBeChem:CHT xref: PMID:10930630 {source="Europe PMC"} xref: PMID:12826235 {source="Europe PMC"} xref: PMID:12946691 {source="Europe PMC"} xref: PMID:14972364 {source="Europe PMC"} xref: PMID:16210714 {source="Europe PMC"} xref: PMID:17087106 {source="Europe PMC"} xref: PMID:17283071 {source="Europe PMC"} xref: PMID:17344490 {source="Europe PMC"} xref: PMID:18204095 {source="Europe PMC"} xref: PMID:18230680 {source="Europe PMC"} xref: PMID:18786517 {source="Europe PMC"} xref: PMID:18786520 {source="Europe PMC"} xref: PMID:19246089 {source="Europe PMC"} xref: PMID:20038853 {source="Europe PMC"} xref: PMID:20446114 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:22961562 {source="Europe PMC"} xref: PMID:23095202 {source="Europe PMC"} xref: PMID:23616508 {source="Europe PMC"} xref: PMID:23637565 {source="Europe PMC"} xref: PMID:23733158 {source="Europe PMC"} xref: PMID:6420466 {source="Europe PMC"} xref: PMID:7590654 {source="Europe PMC"} xref: PMID:9517478 {source="Europe PMC"} xref: Reaxys:1736748 {source="Reaxys"} xref: Wikipedia:Choline xref: YMDB:YMDB00227 is_a: CDNO:0000013 ! plant secondary metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H14NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OEYIOHPDSNJKLS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "104.17080" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "104.10699" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[N+](C)(C)CCO" xsd:string [Term] id: CHEBI:15356 name: cysteine namespace: chebi_ontology alt_id: CHEBI:14061 alt_id: CHEBI:23508 alt_id: CHEBI:4050 def: "A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3." [] subset: 3_STAR synonym: "2-amino-3-mercaptopropanoic acid" RELATED [JCBN] synonym: "2-Amino-3-mercaptopropionic acid" RELATED [KEGG_COMPOUND] synonym: "2-amino-3-sulfanylpropanoic acid" RELATED [IUPAC] synonym: "C" RELATED [ChEBI] synonym: "cisteina" RELATED [ChEBI] synonym: "Cys" RELATED [ChEBI] synonym: "Cystein" RELATED [ChEBI] synonym: "Cysteine" EXACT [KEGG_COMPOUND] synonym: "cysteine" EXACT IUPAC_NAME [IUPAC] synonym: "cysteine" EXACT [ChEBI] synonym: "Hcys" RELATED [IUPAC] synonym: "Zystein" RELATED [ChEBI] xref: Beilstein:1721406 {source="Beilstein"} xref: CAS:3374-22-9 {source="ChemIDplus"} xref: CAS:3374-22-9 {source="NIST Chemistry WebBook"} xref: CAS:3374-22-9 {source="KEGG COMPOUND"} xref: Gmelin:2933 {source="Gmelin"} xref: KEGG:C00736 xref: KNApSAcK:C00001351 xref: KNApSAcK:C00007323 xref: PMID:17439666 {source="Europe PMC"} xref: PMID:25181601 {source="Europe PMC"} xref: Reaxys:1721406 {source="Reaxys"} xref: Wikipedia:Cysteine is_a: CHEBI:33261 ! organosulfur compound is_a: CHEBI:33709 ! amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XUJNEKJLAYXESH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "121.15922" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "121.01975" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(CS)C(O)=O" xsd:string [Term] id: CHEBI:15366 name: acetic acid namespace: chebi_ontology alt_id: CHEBI:22169 alt_id: CHEBI:2387 alt_id: CHEBI:40486 def: "A simple monocarboxylic acid containing two carbons." [] subset: 3_STAR synonym: "ACETIC ACID" EXACT [PDBeChem] synonym: "Acetic acid" EXACT [KEGG_COMPOUND] synonym: "acetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "acide acetique" RELATED [ChemIDplus] synonym: "AcOH" RELATED [ChEBI] synonym: "CH3-COOH" RELATED [IUPAC] synonym: "CH3CO2H" RELATED [ChEBI] synonym: "E 260" RELATED [ChEBI] synonym: "E-260" RELATED [ChEBI] synonym: "E260" RELATED [ChEBI] synonym: "Essigsaeure" RELATED [ChEBI] synonym: "Ethanoic acid" RELATED [KEGG_COMPOUND] synonym: "ethoic acid" RELATED [ChEBI] synonym: "Ethylic acid" RELATED [ChemIDplus] synonym: "HOAc" RELATED [ChEBI] synonym: "INS No. 260" RELATED [ChEBI] synonym: "MeCO2H" RELATED [ChEBI] synonym: "MeCOOH" RELATED [ChEBI] synonym: "Methanecarboxylic acid" RELATED [ChemIDplus] xref: Beilstein:506007 {source="Beilstein"} xref: CAS:64-19-7 {source="ChemIDplus"} xref: CAS:64-19-7 {source="NIST Chemistry WebBook"} xref: CAS:64-19-7 {source="KEGG COMPOUND"} xref: Drug_Central:4211 {source="DrugCentral"} xref: Gmelin:1380 {source="Gmelin"} xref: HMDB:HMDB0000042 xref: KEGG:C00033 xref: KEGG:D00010 xref: KNApSAcK:C00001176 xref: LIPID_MAPS_instance:LMFA01010002 {source="LIPID MAPS"} xref: MetaCyc:ACET xref: PDBeChem:ACT xref: PDBeChem:ACY xref: PMID:12005138 {source="Europe PMC"} xref: PMID:15107950 {source="Europe PMC"} xref: PMID:16630552 {source="Europe PMC"} xref: PMID:16774200 {source="Europe PMC"} xref: PMID:17190852 {source="Europe PMC"} xref: PMID:19416101 {source="Europe PMC"} xref: PMID:19469536 {source="Europe PMC"} xref: PMID:22153255 {source="Europe PMC"} xref: PMID:22173419 {source="Europe PMC"} xref: PPDB:1333 xref: Reaxys:506007 {source="Reaxys"} xref: Wikipedia:Acetic_acid is_a: CHEBI:64709 ! organic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QTBSBXVTEAMEQO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "60.05200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "60.02113" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(O)=O" xsd:string [Term] id: CHEBI:15377 name: water namespace: chebi_ontology alt_id: CHEBI:10743 alt_id: CHEBI:13352 alt_id: CHEBI:27313 alt_id: CHEBI:42043 alt_id: CHEBI:42857 alt_id: CHEBI:43228 alt_id: CHEBI:44292 alt_id: CHEBI:44701 alt_id: CHEBI:44819 alt_id: CHEBI:5585 def: "An oxygen hydride consisting of an oxygen atom that is covalently bonded to two hydrogen atoms." [] subset: 3_STAR synonym: "[OH2]" RELATED [IUPAC] synonym: "acqua" RELATED [ChEBI] synonym: "agua" RELATED [ChEBI] synonym: "aqua" RELATED [ChEBI] synonym: "BOUND WATER" RELATED [PDBeChem] synonym: "dihydridooxygen" RELATED [IUPAC] synonym: "dihydrogen oxide" RELATED [IUPAC] synonym: "eau" RELATED [ChEBI] synonym: "H2O" RELATED [KEGG_COMPOUND] synonym: "H2O" RELATED [UniProt] synonym: "HOH" RELATED [ChEBI] synonym: "hydrogen hydroxide" RELATED [ChEBI] synonym: "oxidane" EXACT IUPAC_NAME [IUPAC] synonym: "Wasser" RELATED [ChEBI] synonym: "WATER" EXACT [PDBeChem] synonym: "Water" EXACT [KEGG_COMPOUND] synonym: "water" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3587155 {source="Beilstein"} xref: CAS:7732-18-5 {source="NIST Chemistry WebBook"} xref: CAS:7732-18-5 {source="ChemIDplus"} xref: CAS:7732-18-5 {source="KEGG COMPOUND"} xref: Gmelin:117 {source="Gmelin"} xref: HMDB:HMDB0002111 xref: KEGG:C00001 xref: KEGG:D00001 xref: MetaCyc:WATER xref: MolBase:1 xref: PDBeChem:HOH xref: Reaxys:3587155 {source="Reaxys"} xref: Wikipedia:Water is_a: CDNO:0000001 ! dietary chemical component property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H2O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O/h1H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XLYOFNOQVPJJNP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "18.01530" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "18.01056" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]O[H]" xsd:string [Term] id: CHEBI:15428 name: glycine namespace: chebi_ontology alt_id: CHEBI:10792 alt_id: CHEBI:14344 alt_id: CHEBI:24368 alt_id: CHEBI:42964 alt_id: CHEBI:5460 def: "The simplest (and the only achiral) proteinogenic amino acid, with a hydrogen atom as its side chain." [] subset: 3_STAR synonym: "Aminoacetic acid" RELATED [KEGG_COMPOUND] synonym: "aminoacetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Aminoessigsaeure" RELATED [ChEBI] synonym: "aminoethanoic acid" RELATED [ChEBI] synonym: "aminoethanoic acid" RELATED [JCBN] synonym: "G" RELATED [ChEBI] synonym: "Gly" RELATED [KEGG_COMPOUND] synonym: "Glycin" RELATED [ChemIDplus] synonym: "GLYCINE" EXACT [PDBeChem] synonym: "Glycine" EXACT [KEGG_COMPOUND] synonym: "glycine" EXACT IUPAC_NAME [IUPAC] synonym: "Glycocoll" RELATED [ChemIDplus] synonym: "Glykokoll" RELATED [ChEBI] synonym: "Glyzin" RELATED [ChEBI] synonym: "H2N-CH2-COOH" RELATED [IUPAC] synonym: "Hgly" RELATED [IUPAC] synonym: "Leimzucker" RELATED [ChemIDplus] xref: Beilstein:635782 {source="Beilstein"} xref: CAS:56-40-6 {source="NIST Chemistry WebBook"} xref: CAS:56-40-6 {source="ChemIDplus"} xref: CAS:56-40-6 {source="KEGG COMPOUND"} xref: Drug_Central:1319 {source="DrugCentral"} xref: DrugBank:DB00145 xref: ECMDB:ECMDB00123 xref: Gmelin:1808 {source="Gmelin"} xref: HMDB:HMDB0000123 xref: KEGG:C00037 xref: KEGG:D00011 xref: KNApSAcK:C00001361 xref: MetaCyc:GLY xref: PDBeChem:GLY xref: PMID:10930630 {source="Europe PMC"} xref: PMID:11019925 {source="Europe PMC"} xref: PMID:11174716 {source="Europe PMC"} xref: PMID:11542461 {source="Europe PMC"} xref: PMID:11806864 {source="Europe PMC"} xref: PMID:12631515 {source="Europe PMC"} xref: PMID:12754315 {source="Europe PMC"} xref: PMID:12770151 {source="Europe PMC"} xref: PMID:12921899 {source="Europe PMC"} xref: PMID:15331688 {source="Europe PMC"} xref: PMID:15388434 {source="Europe PMC"} xref: PMID:15710237 {source="Europe PMC"} xref: PMID:16105183 {source="Europe PMC"} xref: PMID:16151895 {source="Europe PMC"} xref: PMID:16214212 {source="Europe PMC"} xref: PMID:16417482 {source="Europe PMC"} xref: PMID:16444815 {source="Europe PMC"} xref: PMID:16664855 {source="Europe PMC"} xref: PMID:16901953 {source="Europe PMC"} xref: PMID:16918424 {source="Europe PMC"} xref: PMID:16986325 {source="Europe PMC"} xref: PMID:16998855 {source="Europe PMC"} xref: PMID:17154252 {source="Europe PMC"} xref: PMID:17383967 {source="Europe PMC"} xref: PMID:17582620 {source="Europe PMC"} xref: PMID:17970719 {source="Europe PMC"} xref: PMID:18079355 {source="Europe PMC"} xref: PMID:18396796 {source="Europe PMC"} xref: PMID:18440992 {source="Europe PMC"} xref: PMID:18593588 {source="Europe PMC"} xref: PMID:18816054 {source="Europe PMC"} xref: PMID:18840508 {source="Europe PMC"} xref: PMID:19028609 {source="Europe PMC"} xref: PMID:19120667 {source="Europe PMC"} xref: PMID:19449910 {source="Europe PMC"} xref: PMID:19526731 {source="Europe PMC"} xref: PMID:19544666 {source="Europe PMC"} xref: PMID:19738917 {source="Europe PMC"} xref: PMID:19916621 {source="Europe PMC"} xref: PMID:19924257 {source="Europe PMC"} xref: PMID:21751272 {source="Europe PMC"} xref: PMID:22044190 {source="Europe PMC"} xref: PMID:22079563 {source="Europe PMC"} xref: PMID:22234938 {source="Europe PMC"} xref: PMID:22264337 {source="Europe PMC"} xref: PMID:22293292 {source="Europe PMC"} xref: PMID:22401276 {source="Europe PMC"} xref: PMID:22434786 {source="Europe PMC"} xref: Reaxys:635782 {source="Reaxys"} xref: Wikipedia:Glycine xref: YMDB:YMDB00016 is_a: CHEBI:33709 ! amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H5NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DHMQDGOQFOQNFH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "75.06664" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "75.03203" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCC(O)=O" xsd:string [Term] id: CHEBI:15443 name: inulin namespace: chebi_ontology alt_id: CHEBI:10799 alt_id: CHEBI:10845 alt_id: CHEBI:169 alt_id: CHEBI:18519 alt_id: CHEBI:24854 subset: 3_STAR synonym: "(1,2-beta-D-Fructosyl)n" RELATED [KEGG_COMPOUND] synonym: "(1,2-beta-D-fructosyl)n" RELATED [IUBMB] synonym: "(2,1-beta-D-Fructosyl)n" RELATED [KEGG_COMPOUND] synonym: "(2,1-beta-D-fructosyl)n" RELATED [IUBMB] synonym: "(2->1)-beta-D-fructofuranan" EXACT IUPAC_NAME [IUPAC] synonym: "Inulin" EXACT [KEGG_COMPOUND] xref: CAS:9005-80-5 {source="KEGG COMPOUND"} xref: CAS:9005-80-5 {source="ChemIDplus"} xref: DrugBank:DB00638 xref: KEGG:C03323 xref: KEGG:D00171 xref: KEGG:G10497 is_a: CHEBI:28796 ! fructan property_value: http://purl.obolibrary.org/obo/chebi/formula "(C12H20O11)n" xsd:string [Term] id: CHEBI:15640 name: 5-formyltetrahydrofolic acid namespace: chebi_ontology alt_id: CHEBI:12127 alt_id: CHEBI:18607 alt_id: CHEBI:2057 def: "A formyltetrahydrofolic acid in which the formyl group is located at position 5." [] subset: 3_STAR synonym: "(5-formyl-5,6,7,8-tetrahydropteroyl)glutamate" RELATED [ChEBI] synonym: "10-Formyl-7,8-dihydrofolic acid" RELATED [ChemIDplus] synonym: "5-Formyl-5,6,7,8-tetrahydrofolic acid" RELATED [ChemIDplus] synonym: "5-Formyl-5,6,7,8-tetrahydropteroyl-L-glutamic acid" RELATED [ChemIDplus] synonym: "5-Formyltetrahydrofolate" RELATED [KEGG_COMPOUND] synonym: "Acide folinique" RELATED [ChemIDplus] synonym: "folinate" RELATED [ChEBI] synonym: "Folinic acid" RELATED [KEGG_COMPOUND] synonym: "L(-)-5-Formyl-5,6,7,8-tetrahydrofolic acid" RELATED [KEGG_COMPOUND] synonym: "Leucovorin" RELATED [KEGG_COMPOUND] synonym: "Leucovorinum" RELATED [ChemIDplus] synonym: "N-(5-formyl-5,6,7,8-tetrahydropteroyl)-L-glutamic acid" RELATED [ChEBI] synonym: "N-[4-({[2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid" EXACT IUPAC_NAME [IUPAC] synonym: "N5-Formyl-5,6,7,8-tetrahydrofolic acid" RELATED [ChemIDplus] synonym: "N5-Formyltetrahydrofolic acid" RELATED [ChemIDplus] xref: CAS:58-05-9 {source="ChemIDplus"} xref: CAS:58-05-9 {source="KEGG COMPOUND"} xref: Drug_Central:1232 {source="DrugCentral"} xref: DrugBank:DB03256 xref: KEGG:C03479 xref: KEGG:D07986 xref: LINCS:LSM-5146 xref: Reaxys:101688 {source="Reaxys"} xref: Wikipedia:Folinic_acid is_a: CHEBI:27470 ! folic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H23N7O7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12?,13-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VVIAGPKUTFNRDU-ABLWVSNPSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "473.43930" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "473.16590" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=O)N1C(CNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2nc(N)[nH]c(=O)c12" xsd:string [Term] id: CHEBI:15741 name: succinic acid namespace: chebi_ontology alt_id: CHEBI:22943 alt_id: CHEBI:26807 alt_id: CHEBI:45639 alt_id: CHEBI:9304 def: "An alpha,omega-dicarboxylic acid resulting from the formal oxidation of each of the terminal methyl groups of butane to the corresponding carboxy group. It is an intermediate metabolite in the citric acid cycle." [] subset: 3_STAR synonym: "1,2-ethanedicarboxylic acid" RELATED [ChemIDplus] synonym: "acide butanedioique" RELATED [ChEBI] synonym: "acide succinique" RELATED [ChEBI] synonym: "acidum succinicum" RELATED [ChemIDplus] synonym: "amber acid" RELATED [NIST_Chemistry_WebBook] synonym: "asuccin" RELATED [NIST_Chemistry_WebBook] synonym: "Bernsteinsaeure" RELATED [ChEBI] synonym: "Butandisaeure" RELATED [ChemIDplus] synonym: "butanedioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Butanedionic acid" RELATED [KEGG_COMPOUND] synonym: "Dihydrofumaric acid" RELATED [HMDB] synonym: "E363" RELATED [ChEBI] synonym: "Ethylenesuccinic acid" RELATED [KEGG_COMPOUND] synonym: "HOOC-CH2-CH2-COOH" RELATED [IUPAC] synonym: "spirit of amber" RELATED [ChEBI] synonym: "SUCCINIC ACID" EXACT [PDBeChem] synonym: "Succinic acid" EXACT [KEGG_COMPOUND] synonym: "succinic acid" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1754069 {source="Beilstein"} xref: CAS:110-15-6 {source="NIST Chemistry WebBook"} xref: CAS:110-15-6 {source="KEGG COMPOUND"} xref: CAS:110-15-6 {source="ChemIDplus"} xref: Drug_Central:2487 {source="DrugCentral"} xref: DrugBank:DB00139 xref: ECMDB:ECMDB00254 xref: Gmelin:2785 {source="Gmelin"} xref: HMDB:HMDB0000254 xref: KEGG:C00042 xref: KNApSAcK:C00001205 xref: LIPID_MAPS_instance:LMFA01170043 {source="LIPID MAPS"} xref: MetaCyc:SUC xref: PDBeChem:SIN xref: PMID:17439666 {source="Europe PMC"} xref: Reaxys:1754069 {source="Reaxys"} xref: Wikipedia:Succinic_acid xref: YMDB:YMDB00338 is_a: CHEBI:64709 ! organic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H6O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KDYFGRWQOYBRFD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "118.08800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "118.02661" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)CCC(O)=O" xsd:string [Term] id: CHEBI:15756 name: hexadecanoic acid namespace: chebi_ontology alt_id: CHEBI:14730 alt_id: CHEBI:233028 alt_id: CHEBI:24540 alt_id: CHEBI:24541 alt_id: CHEBI:24542 alt_id: CHEBI:24550 alt_id: CHEBI:29889 alt_id: CHEBI:35978 alt_id: CHEBI:44952 def: "A straight-chain, sixteen-carbon, saturated long-chain fatty acid." [] subset: 3_STAR synonym: "1-hexyldecanoic acid" RELATED [HMDB] synonym: "1-Pentadecanecarboxylic acid" RELATED [ChemIDplus] synonym: "16:00" RELATED [ChEBI] synonym: "C16" RELATED [ChEBI] synonym: "C16 fatty acid" RELATED [HMDB] synonym: "C16:0" RELATED [LIPID_MAPS] synonym: "cetylic acid" RELATED [KEGG_COMPOUND] synonym: "CH3-[CH2]14-COOH" RELATED [IUPAC] synonym: "FA 16:0" RELATED [ChEBI] synonym: "Hexadecanoate" RELATED [KEGG_COMPOUND] synonym: "hexadecanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "hexadecoic acid" RELATED [ChEBI] synonym: "Hexadecylic acid" RELATED [HMDB] synonym: "Hexadecylic acid" RELATED [KEGG_COMPOUND] synonym: "Hexaectylic acid" RELATED [HMDB] synonym: "n-hexadecanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "n-hexadecoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Palmitate" RELATED [KEGG_COMPOUND] synonym: "PALMITIC ACID" RELATED [PDBeChem] synonym: "Palmitic acid" RELATED [KEGG_COMPOUND] synonym: "palmitic acid" RELATED [] synonym: "palmitic acid" RELATED [ChEBI] synonym: "Palmitinic acid" RELATED [HMDB] synonym: "Palmitinsaeure" RELATED [ChEBI] synonym: "Pentadecanecarboxylic acid" RELATED [ChemIDplus] xref: Beilstein:607489 {source="Beilstein"} xref: CAS:57-10-3 {source="NIST Chemistry WebBook"} xref: CAS:57-10-3 {source="ChemIDplus"} xref: CAS:57-10-3 {source="KEGG COMPOUND"} xref: DrugBank:DB03796 xref: Gmelin:190200 {source="Gmelin"} xref: HMDB:HMDB0000220 xref: KEGG:C00249 xref: KEGG:D05341 xref: KNApSAcK:C00001233 xref: KNApSAcK:C00030479 xref: LIPID_MAPS_instance:LMFA01010001 {source="LIPID MAPS"} xref: MetaCyc:PALMITATE xref: PDBeChem:PLM xref: PMID:12492626 {source="Europe PMC"} xref: PMID:15357969 {source="ChEMBL"} xref: PMID:1589452 {source="Europe PMC"} xref: PMID:16509590 {source="ChEMBL"} xref: PMID:16884313 {source="ChEMBL"} xref: PMID:17439666 {source="Europe PMC"} xref: PMID:17502136 {source="ChEMBL"} xref: PMID:20001317 {source="Europe PMC"} xref: PMID:22735334 {source="Europe PMC"} xref: PMID:25584012 {source="Europe PMC"} xref: PMID:28600633 {source="Europe PMC"} xref: PPDB:1336 xref: Reaxys:607489 {source="Reaxys"} xref: Wikipedia:Palmitic_acid is_a: CHEBI:26607 ! saturated fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H32O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IPCSVZSSVZVIGE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "256.42410" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "256.24023" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCCCCCCCCC(O)=O" xsd:string [Term] id: CHEBI:15794 name: juglone namespace: chebi_ontology alt_id: CHEBI:12130 alt_id: CHEBI:20574 alt_id: CHEBI:2062 def: "A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogen at position 5 has been replaced by a hydroxy group. A plant-derived 1,4-naphthoquinone with confirmed antibacterial and antitumor activities." [] subset: 3_STAR synonym: "5-hydroxy-1,4-naphthalenedione" RELATED [ChemIDplus] synonym: "5-Hydroxy-1,4-naphthoquinone" RELATED [KEGG_COMPOUND] synonym: "5-hydroxy-1,4-naphthoquinone" EXACT IUPAC_NAME [IUPAC] synonym: "8-hydroxy-1,4-naphthoquinone" RELATED [ChemIDplus] synonym: "Juglone" EXACT [KEGG_COMPOUND] synonym: "juglone" EXACT [UniProt] xref: Beilstein:1909764 {source="Beilstein"} xref: CAS:481-39-0 {source="KEGG COMPOUND"} xref: CAS:481-39-0 {source="NIST Chemistry WebBook"} xref: CAS:481-39-0 {source="ChemIDplus"} xref: Gmelin:219094 {source="Gmelin"} xref: KEGG:C03840 xref: KNApSAcK:C00000144 xref: PDBeChem:JUG xref: PMID:19597959 {source="Europe PMC"} xref: PMID:23163769 {source="Europe PMC"} xref: PMID:27322260 {source="Europe PMC"} xref: PMID:27600097 {source="Europe PMC"} xref: PMID:27816681 {source="Europe PMC"} xref: PMID:28069455 {source="Europe PMC"} xref: PMID:28166217 {source="Europe PMC"} xref: Reaxys:1909764 {source="Reaxys"} is_a: CHEBI:132142 ! 1,4-naphthoquinones property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H6O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KQPYUDDGWXQXHS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "174.15284" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "174.03169" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1cccc2C(=O)C=CC(=O)c12" xsd:string [Term] id: CHEBI:15843 name: arachidonic acid namespace: chebi_ontology alt_id: CHEBI:22608 alt_id: CHEBI:2799 alt_id: CHEBI:40501 def: "A long-chain fatty acid that is a C20, polyunsaturated fatty acid having four (Z)-double bonds at positions 5, 8, 11 and 14." [] subset: 3_STAR synonym: "(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(5Z,8Z,11Z,14Z)-Icosatetraenoic acid" RELATED [KEGG_COMPOUND] synonym: "AA" RELATED [ChEBI] synonym: "all-cis-5,8,11,14-eicosatetraenoic acid" RELATED [ChEBI] synonym: "ARA" RELATED [ChEBI] synonym: "Arachidonate" RELATED [KEGG_COMPOUND] synonym: "ARACHIDONIC ACID" EXACT [PDBeChem] synonym: "Arachidonic acid" EXACT [KEGG_COMPOUND] synonym: "Arachidonsaeure" RELATED [ChEBI] synonym: "cis-5,8,11,14-Eicosatetraenoic acid" RELATED [KEGG_COMPOUND] synonym: "cis-Delta(5,8,11,14)-eicosatetraenoic acid" RELATED [ChEBI] xref: Beilstein:1913991 {source="Beilstein"} xref: CAS:506-32-1 {source="KEGG COMPOUND"} xref: CAS:506-32-1 {source="ChemIDplus"} xref: CAS:506-32-1 {source="NIST Chemistry WebBook"} xref: DrugBank:DB04557 xref: Gmelin:58972 {source="Gmelin"} xref: HMDB:HMDB0001043 xref: KEGG:C00219 xref: KNApSAcK:C00000388 xref: LIPID_MAPS_instance:LMFA01030001 {source="LIPID MAPS"} xref: MetaCyc:ARACHIDONIC_ACID xref: PDBeChem:ACD xref: PMID:15129302 {source="Europe PMC"} xref: PMID:18931599 {source="Europe PMC"} xref: PMID:18973997 {source="Europe PMC"} xref: PMID:25584012 {source="Europe PMC"} xref: PMID:2820055 {source="Europe PMC"} xref: Reaxys:1913991 {source="Reaxys"} xref: Wikipedia:Arachidonic_acid is_a: CHEBI:36009 ! ω−6 fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H32O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YZXBAPSDXZZRGB-DOFZRALJSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "304.46690" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "304.24023" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCC\\C=C/C\\C=C/C\\C=C/C\\C=C/CCCC(O)=O" xsd:string [Term] id: CHEBI:15858 name: bromide namespace: chebi_ontology alt_id: CHEBI:13918 alt_id: CHEBI:3178 alt_id: CHEBI:49515 subset: 3_STAR synonym: "Br(-)" RELATED [IUPAC] synonym: "Br-" RELATED [KEGG_COMPOUND] synonym: "Bromide" EXACT [KEGG_COMPOUND] synonym: "bromide" EXACT [UniProt] synonym: "bromide" EXACT IUPAC_NAME [IUPAC] synonym: "BROMIDE ION" RELATED [PDBeChem] synonym: "bromide(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "bromine anion" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:3587179 {source="Beilstein"} xref: CAS:24959-67-9 {source="NIST Chemistry WebBook"} xref: CAS:24959-67-9 {source="ChemIDplus"} xref: CAS:24959-67-9 {source="KEGG COMPOUND"} xref: Gmelin:14908 {source="Gmelin"} xref: KEGG:C00720 xref: KEGG:C01324 xref: PDBeChem:BR is_a: CHEBI:24866 ! salt property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Br" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/BrH/h1H/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CPELXLSAUQHCOX-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "79.90400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "78.91889" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Br-]" xsd:string [Term] id: CHEBI:15864 name: luteolin namespace: chebi_ontology alt_id: CHEBI:12082 alt_id: CHEBI:14536 alt_id: CHEBI:25086 alt_id: CHEBI:6578 def: "A tetrahydroxyflavone in which the four hydroxy groups are located at positions 3', 4', 5 and 7. It is thought to play an important role in the human body as an antioxidant, a free radical scavenger, an anti-inflammatory agent and an immune system modulator as well as being active against several cancers." [] subset: 3_STAR synonym: "2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-benzopyrone" RELATED [ChemIDplus] synonym: "2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one" RELATED [ChemIDplus] synonym: "2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "3',4',5,7-Tetrahydroxyflavone" RELATED [KEGG_COMPOUND] synonym: "5,7,3',4'-Tetrahydroxyflavone" RELATED [KEGG_COMPOUND] synonym: "digitoflavone" RELATED [ChEBI] synonym: "flacitran" RELATED [ChEBI] synonym: "Luteolin" EXACT [KEGG_COMPOUND] synonym: "Luteolol" RELATED [ChemIDplus] synonym: "Salifazide" RELATED [ChemIDplus] xref: CAS:491-70-3 {source="ChemIDplus"} xref: CAS:491-70-3 {source="NIST Chemistry WebBook"} xref: Chemspider:4444102 xref: DrugBank:DB15584 xref: FooDB:FDB013255 xref: HMDB:HMDB0005800 xref: KEGG:C01514 xref: KNApSAcK:C00000674 xref: LINCS:LSM-5229 xref: LIPID_MAPS_instance:LMPK12110006 {source="LIPID MAPS"} xref: MetaCyc:5734-TETRAHYDROXYFLAVONE xref: PDBeChem:LU2 xref: PMID:11478688 {source="Europe PMC"} xref: PMID:11897650 {source="Europe PMC"} xref: PMID:14574115 {source="Europe PMC"} xref: PMID:18720166 {source="Europe PMC"} xref: PMID:18946424 {source="Europe PMC"} xref: PMID:18991571 {source="Europe PMC"} xref: PMID:19263826 {source="Europe PMC"} xref: PMID:19509250 {source="Europe PMC"} xref: PMID:19854181 {source="Europe PMC"} xref: PMID:21899269 {source="Europe PMC"} xref: PMID:22391103 {source="Europe PMC"} xref: PMID:22749133 {source="Europe PMC"} xref: PMID:22794353 {source="Europe PMC"} xref: PMID:22842046 {source="Europe PMC"} xref: PMID:23035972 {source="Europe PMC"} xref: PMID:23229294 {source="Europe PMC"} xref: PMID:23574272 {source="Europe PMC"} xref: PMID:26020516 {source="Europe PMC"} xref: PMID:26322379 {source="Europe PMC"} xref: PMID:27595800 {source="Europe PMC"} xref: PMID:27764981 {source="Europe PMC"} xref: PMID:27853236 {source="Europe PMC"} xref: PMID:27878246 {source="Europe PMC"} xref: PMID:27879665 {source="Europe PMC"} xref: PMID:27886116 {source="Europe PMC"} xref: PMID:27919958 {source="Europe PMC"} xref: PMID:27927066 {source="Europe PMC"} xref: PMID:27959422 {source="Europe PMC"} xref: PMID:28004344 {source="Europe PMC"} xref: PMID:28029146 {source="Europe PMC"} xref: PMID:28031430 {source="Europe PMC"} xref: PMID:28035396 {source="Europe PMC"} xref: PMID:28067377 {source="Europe PMC"} xref: PMID:28069121 {source="Europe PMC"} xref: PMID:28071803 {source="Europe PMC"} xref: PMID:28090531 {source="Europe PMC"} xref: PMID:28096694 {source="Europe PMC"} xref: PMID:28101184 {source="Europe PMC"} xref: PMID:28101223 {source="Europe PMC"} xref: PMID:28110189 {source="Europe PMC"} xref: PMID:28111945 {source="Europe PMC"} xref: PMID:28112209 {source="Europe PMC"} xref: PMID:28113103 {source="Europe PMC"} xref: PMID:28166217 {source="Europe PMC"} xref: PMID:29423013 {source="Europe PMC"} xref: PMID:30624931 {source="Europe PMC"} xref: PMID:32883638 {source="Europe PMC"} xref: Reaxys:292084 {source="Reaxys"} xref: Wikipedia:Luteolin is_a: CHEBI:42491 ! flavone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H10O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IQPNAANSBPBGFQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "286.239" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "286.04774" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC=C(O)C(O)=C1" xsd:string [Term] id: CHEBI:15889 name: sterol namespace: chebi_ontology alt_id: CHEBI:13688 alt_id: CHEBI:15114 alt_id: CHEBI:26771 alt_id: CHEBI:9266 def: "Any 3-hydroxy steroid whose skeleton is closely related to cholestan-3-ol (additional carbon atoms may be present in the side chain)." [] subset: 3_STAR synonym: "3-hydroxysteroids" RELATED [ChEBI] synonym: "a sterol" RELATED [UniProt] synonym: "Sterol" EXACT [KEGG_COMPOUND] synonym: "sterols" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C00370 xref: LIPID_MAPS_class:LMST01 {source="LIPID MAPS"} xref: MetaCyc:Sterols xref: Wikipedia:Sterol is_a: CHEBI:18059 ! lipid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H31OR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "275.450" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "275.23749" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(CCC(C4)O)C" xsd:string [Term] id: CHEBI:15891 name: taurine namespace: chebi_ontology alt_id: CHEBI:15195 alt_id: CHEBI:26852 alt_id: CHEBI:45877 alt_id: CHEBI:9406 def: "An amino sulfonic acid that is the 2-amino derivative of ethanesulfonic acid. It is a naturally occurring amino acid derived from methionine and cysteine metabolism. An abundant component of fish- and meat-based foods, it has been used as an oral supplement in the treatment of disorders such as cystic fibrosis and hypertension." [] subset: 3_STAR synonym: "2-Aminoethanesulfonic acid" RELATED [KEGG_COMPOUND] synonym: "2-aminoethanesulfonic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2-aminoethyl sulfonate" RELATED [IUBMB] synonym: "Aminoethylsulfonic acid" RELATED [KEGG_COMPOUND] synonym: "beta-aminoethylsulfonic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Taurine" EXACT [KEGG_COMPOUND] xref: Beilstein:1751215 {source="Beilstein"} xref: CAS:107-35-7 {source="ChemIDplus"} xref: CAS:107-35-7 {source="NIST Chemistry WebBook"} xref: CAS:107-35-7 {source="KEGG COMPOUND"} xref: Drug_Central:4486 {source="DrugCentral"} xref: DrugBank:DB01956 xref: Gmelin:82121 {source="Gmelin"} xref: HMDB:HMDB0000251 xref: KEGG:C00245 xref: KEGG:D00047 xref: KNApSAcK:C00048188 xref: MetaCyc:TAURINE xref: PDBeChem:TAU xref: PMID:10098958 {source="Europe PMC"} xref: PMID:10325611 {source="Europe PMC"} xref: PMID:10349454 {source="Europe PMC"} xref: PMID:10827156 {source="Europe PMC"} xref: PMID:11162030 {source="Europe PMC"} xref: PMID:11842876 {source="Europe PMC"} xref: PMID:11918831 {source="Europe PMC"} xref: PMID:11931837 {source="Europe PMC"} xref: PMID:12297216 {source="Europe PMC"} xref: PMID:12499349 {source="Europe PMC"} xref: PMID:12834252 {source="Europe PMC"} xref: PMID:14992292 {source="Europe PMC"} xref: PMID:15503229 {source="Europe PMC"} xref: PMID:15780050 {source="Europe PMC"} xref: PMID:15911239 {source="Europe PMC"} xref: PMID:16169526 {source="Europe PMC"} xref: PMID:16444816 {source="Europe PMC"} xref: PMID:16923232 {source="Europe PMC"} xref: PMID:17053427 {source="Europe PMC"} xref: PMID:17081118 {source="Europe PMC"} xref: PMID:17875433 {source="Europe PMC"} xref: PMID:17997039 {source="Europe PMC"} xref: PMID:18060526 {source="Europe PMC"} xref: PMID:18171928 {source="Europe PMC"} xref: PMID:19074966 {source="Europe PMC"} xref: PMID:19212411 {source="Europe PMC"} xref: PMID:19309105 {source="Europe PMC"} xref: PMID:19940987 {source="Europe PMC"} xref: PMID:2122710 {source="Europe PMC"} xref: PMID:21761941 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:2370482 {source="Europe PMC"} xref: PMID:24027187 {source="Europe PMC"} xref: PMID:2494044 {source="Europe PMC"} xref: PMID:27291853 {source="Europe PMC"} xref: PMID:27334436 {source="Europe PMC"} xref: PMID:27345710 {source="Europe PMC"} xref: PMID:27380030 {source="Europe PMC"} xref: PMID:27412799 {source="Europe PMC"} xref: PMID:27471162 {source="Europe PMC"} xref: PMID:27535560 {source="Europe PMC"} xref: PMID:3106924 {source="Europe PMC"} xref: PMID:3393260 {source="Europe PMC"} xref: PMID:6198473 {source="Europe PMC"} xref: PMID:7588651 {source="Europe PMC"} xref: PMID:8692051 {source="Europe PMC"} xref: PMID:8818047 {source="Europe PMC"} xref: PMID:9635063 {source="Europe PMC"} xref: Reaxys:1751215 {source="Reaxys"} xref: Wikipedia:Taurine is_a: CDNO:0000013 ! plant secondary metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H7NO3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XOAAWQZATWQOTB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "125.148" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "125.01466" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(CS(O)(=O)=O)N" xsd:string [Term] id: CHEBI:15940 name: nicotinic acid namespace: chebi_ontology alt_id: CHEBI:25538 alt_id: CHEBI:44319 alt_id: CHEBI:7559 def: "A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group." [] subset: 3_STAR synonym: "3-carboxylpyridine" RELATED [ChemIDplus] synonym: "3-carboxypyridine" RELATED [NIST_Chemistry_WebBook] synonym: "3-pyridinecarboxylic acid" RELATED [KEGG_COMPOUND] synonym: "3-Pyridylcarboxylic acid" RELATED [HMDB] synonym: "acide nicotinique" RELATED INN [WHO_MedNet] synonym: "acido nicotinico" RELATED INN [WHO_MedNet] synonym: "acidum nicotinicum" RELATED INN [WHO_MedNet] synonym: "anti-pellagra vitamin" RELATED [NIST_Chemistry_WebBook] synonym: "beta-pyridinecarboxylic acid" RELATED [ChEBI] synonym: "m-pyridinecarboxylic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Niacin" RELATED [KEGG_COMPOUND] synonym: "niacin (b3)" RELATED [] synonym: "Niacor" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Niaspan" RELATED BRAND_NAME [KEGG_DRUG] synonym: "NICOTINIC ACID" EXACT [PDBeChem] synonym: "Nicotinic acid" EXACT [KEGG_COMPOUND] synonym: "nicotinic acid" EXACT IUPAC_NAME [IUPAC] synonym: "nicotinic acid" RELATED INN [WHO_MedNet] synonym: "Nicotinsaure" RELATED [ChemIDplus] synonym: "Nikotinsaeure" RELATED [ChEBI] synonym: "P.P. factor" RELATED [NIST_Chemistry_WebBook] synonym: "pellagra preventive factor" RELATED [NIST_Chemistry_WebBook] synonym: "PP factor" RELATED [NIST_Chemistry_WebBook] synonym: "pyridine-3-carboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "pyridine-beta-carboxylic acid" RELATED [NIST_Chemistry_WebBook] synonym: "pyridine-carboxylique-3" RELATED [ChemIDplus] synonym: "vitamin B3" RELATED [ChEBI] xref: AGR:IND607088605 {source="Europe PMC"} xref: Beilstein:109591 {source="Beilstein"} xref: CAS:59-67-6 {source="KEGG COMPOUND"} xref: CAS:59-67-6 {source="ChemIDplus"} xref: CAS:59-67-6 {source="NIST Chemistry WebBook"} xref: Chemspider:913 xref: Drug_Central:2835 {source="DrugCentral"} xref: DrugBank:DB00627 xref: FooDB:FDB001014 xref: Gmelin:3340 {source="Gmelin"} xref: HMDB:HMDB0001488 xref: KEGG:C00253 xref: KEGG:D00049 xref: KNApSAcK:C00000208 xref: LINCS:LSM-4676 xref: MetaCyc:NIACINE xref: PDBeChem:NIO xref: PMID:10540864 {source="Europe PMC"} xref: PMID:113218 {source="Europe PMC"} xref: PMID:12563315 {source="Europe PMC"} xref: PMID:12789870 {source="Europe PMC"} xref: PMID:135660 {source="Europe PMC"} xref: PMID:14550884 {source="Europe PMC"} xref: PMID:15037193 {source="Europe PMC"} xref: PMID:15183629 {source="Europe PMC"} xref: PMID:15205990 {source="Europe PMC"} xref: PMID:15311728 {source="Europe PMC"} xref: PMID:15627518 {source="Europe PMC"} xref: PMID:15651982 {source="Europe PMC"} xref: PMID:16018787 {source="Europe PMC"} xref: PMID:16172771 {source="Europe PMC"} xref: PMID:16322787 {source="Europe PMC"} xref: PMID:16400392 {source="Europe PMC"} xref: PMID:16449845 {source="Europe PMC"} xref: PMID:16767301 {source="Europe PMC"} xref: PMID:16877271 {source="Europe PMC"} xref: PMID:16945375 {source="Europe PMC"} xref: PMID:18037924 {source="Europe PMC"} xref: PMID:182198 {source="Europe PMC"} xref: PMID:186078 {source="Europe PMC"} xref: PMID:18993152 {source="Europe PMC"} xref: PMID:18996527 {source="Europe PMC"} xref: PMID:19369827 {source="Europe PMC"} xref: PMID:19592242 {source="Europe PMC"} xref: PMID:19678716 {source="Europe PMC"} xref: PMID:19779335 {source="Europe PMC"} xref: PMID:20979384 {source="Europe PMC"} xref: PMID:21632263 {source="Europe PMC"} xref: PMID:22116693 {source="Europe PMC"} xref: PMID:22155410 {source="Europe PMC"} xref: PMID:22229411 {source="Europe PMC"} xref: PMID:22366213 {source="Europe PMC"} xref: PMID:22458880 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:24029555 {source="Europe PMC"} xref: PMID:24568240 {source="Europe PMC"} xref: PMID:24675661 {source="Europe PMC"} xref: PMID:24848081 {source="Europe PMC"} xref: PMID:24975217 {source="Europe PMC"} xref: PMID:25040591 {source="Europe PMC"} xref: PMID:25241762 {source="Europe PMC"} xref: PMID:25429652 {source="Europe PMC"} xref: PMID:32954525 {source="Europe PMC"} xref: PMID:33273654 {source="Europe PMC"} xref: PMID:33932650 {source="Europe PMC"} xref: PMID:34066686 {source="Europe PMC"} xref: PMID:34085526 {source="Europe PMC"} xref: PMID:34117670 {source="Europe PMC"} xref: PMID:4033386 {source="Europe PMC"} xref: PMID:4259917 {source="Europe PMC"} xref: PMID:582105 {source="Europe PMC"} xref: PMID:699281 {source="Europe PMC"} xref: PMID:7217784 {source="Europe PMC"} xref: PMID:7581845 {source="Europe PMC"} xref: PMID:8306147 {source="Europe PMC"} xref: PMID:8423912 {source="Europe PMC"} xref: PMID:8679452 {source="Europe PMC"} xref: PMID:9107536 {source="Europe PMC"} xref: Reaxys:109591 {source="Reaxys"} xref: Wikipedia:Niacin is_a: CHEBI:176839 ! vitamin B3 property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H5NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PVNIIMVLHYAWGP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "123.10944" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "123.03203" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)c1cccnc1" xsd:string [Term] id: CHEBI:15948 name: lycopene namespace: chebi_ontology alt_id: CHEBI:14541 alt_id: CHEBI:26367 alt_id: CHEBI:43789 alt_id: CHEBI:6596 def: "An acyclic carotene commonly obtained from tomatoes and other red fruits." [] subset: 3_STAR synonym: "(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene" RELATED [ChEBI] synonym: "all-trans-lycopene" RELATED [ChemIDplus] synonym: "all-trans-lycopene" RELATED [UniProt] synonym: "LYCOPENE" EXACT [PDBeChem] synonym: "Lycopene" EXACT [KEGG_COMPOUND] synonym: "psi,psi-carotene" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1730097 {source="Beilstein"} xref: CAS:502-65-8 {source="ChemIDplus"} xref: CAS:502-65-8 {source="KEGG COMPOUND"} xref: COMe:MOL000048 xref: Drug_Central:4617 {source="DrugCentral"} xref: HMDB:HMDB0003000 xref: KEGG:C05432 xref: KNApSAcK:C00000911 xref: LIPID_MAPS_instance:LMPR01070257 {source="LIPID MAPS"} xref: MetaCyc:CPD1F-114 xref: PDBeChem:LYC xref: PMID:10443333 {source="Europe PMC"} xref: PMID:10493308 {source="Europe PMC"} xref: PMID:10620348 {source="Europe PMC"} xref: PMID:10720168 {source="Europe PMC"} xref: PMID:10837319 {source="Europe PMC"} xref: PMID:11117277 {source="Europe PMC"} xref: PMID:11137891 {source="Europe PMC"} xref: PMID:12239422 {source="Europe PMC"} xref: PMID:12726756 {source="Europe PMC"} xref: PMID:12792623 {source="Europe PMC"} xref: PMID:12910307 {source="Europe PMC"} xref: PMID:13129444 {source="Europe PMC"} xref: PMID:15054415 {source="Europe PMC"} xref: PMID:15065899 {source="Europe PMC"} xref: PMID:15341191 {source="Europe PMC"} xref: PMID:1550343 {source="Europe PMC"} xref: PMID:15830922 {source="Europe PMC"} xref: PMID:16194683 {source="Europe PMC"} xref: PMID:16549453 {source="Europe PMC"} xref: PMID:24397737 {source="Europe PMC"} xref: PMID:7616301 {source="Europe PMC"} xref: PMID:9100211 {source="Europe PMC"} xref: Reaxys:1730097 {source="Reaxys"} xref: Wikipedia:Lycopene is_a: CHEBI:23044 ! carotenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C40H56" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,32-18+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OAIJSZIZWZSQBC-GYZMGTAESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "536.87264" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "536.43820" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)=CCC\\C(C)=C\\C=C\\C(C)=C\\C=C\\C(C)=C\\C=C\\C=C(C)\\C=C\\C=C(C)\\C=C\\C=C(/C)CCC=C(C)C" xsd:string [Term] id: CHEBI:15956 name: biotin namespace: chebi_ontology alt_id: CHEBI:13905 alt_id: CHEBI:22882 alt_id: CHEBI:22884 alt_id: CHEBI:3108 alt_id: CHEBI:41236 def: "An organic heterobicyclic compound that consists of 2-oxohexahydro-1H-thieno[3,4-d]imidazole having a valeric acid substituent attached to the tetrahydrothiophene ring. The parent of the class of biotins." [] subset: 3_STAR synonym: "(+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valeric acid" RELATED [HMDB] synonym: "(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-valeric acid" RELATED [HMDB] synonym: "5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid" RELATED [HMDB] synonym: "5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "BIOTIN" EXACT [PDBeChem] synonym: "biotin" RELATED INN [WHO_MedNet] synonym: "biotina" RELATED INN [WHO_MedNet] synonym: "biotine" RELATED INN [WHO_MedNet] synonym: "biotinum" RELATED INN [WHO_MedNet] synonym: "cis-(+)-Tetrahydro-2-oxothieno[3,4]imidazoline-4-valeric acid" RELATED [HMDB] synonym: "cis-Hexahydro-2-oxo-1H-thieno(3,4)imidazole-4-valeric acid" RELATED [HMDB] synonym: "cis-Tetrahydro-2-oxothieno(3,4-d)imidazoline-4-valeric acid" RELATED [HMDB] synonym: "Coenzyme R" RELATED [KEGG_COMPOUND] synonym: "D-(+)-biotin" RELATED [NIST_Chemistry_WebBook] synonym: "D-Biotin" RELATED [KEGG_COMPOUND] synonym: "vitamin B7" RELATED [NIST_Chemistry_WebBook] synonym: "Vitamin H" RELATED [KEGG_COMPOUND] xref: Beilstein:86838 {source="Beilstein"} xref: CAS:58-85-5 {source="NIST Chemistry WebBook"} xref: CAS:58-85-5 {source="KEGG COMPOUND"} xref: CAS:58-85-5 {source="ChemIDplus"} xref: Chemspider:149962 xref: COMe:MOL000144 xref: Drug_Central:373 {source="DrugCentral"} xref: DrugBank:DB00121 xref: FooDB:FDB014510 xref: Gmelin:1918703 {source="Gmelin"} xref: HMDB:HMDB0000030 xref: KEGG:C00120 xref: KEGG:D00029 xref: KNApSAcK:C00000756 xref: LINCS:LSM-3994 xref: MetaCyc:BIOTIN xref: PDBeChem:BTN xref: PMCID:PMC8089577 {source="Europe PMC"} xref: PMID:10064317 {source="Europe PMC"} xref: PMID:10215065 {source="Europe PMC"} xref: PMID:10577274 {source="Europe PMC"} xref: PMID:11435506 {source="Europe PMC"} xref: PMID:11481419 {source="Europe PMC"} xref: PMID:11800048 {source="Europe PMC"} xref: PMID:12055344 {source="Europe PMC"} xref: PMID:12070309 {source="Europe PMC"} xref: PMID:12603856 {source="Europe PMC"} xref: PMID:12803839 {source="Europe PMC"} xref: PMID:15012185 {source="Europe PMC"} xref: PMID:15202718 {source="Europe PMC"} xref: PMID:15272000 {source="Europe PMC"} xref: PMID:15690449 {source="Europe PMC"} xref: PMID:15863846 {source="Europe PMC"} xref: PMID:15899401 {source="Europe PMC"} xref: PMID:15992684 {source="Europe PMC"} xref: PMID:16011464 {source="Europe PMC"} xref: PMID:16195795 {source="Europe PMC"} xref: PMID:16419467 {source="Europe PMC"} xref: PMID:16676358 {source="Europe PMC"} xref: PMID:16677798 {source="Europe PMC"} xref: PMID:16704206 {source="Europe PMC"} xref: PMID:16769720 {source="Europe PMC"} xref: PMID:17297119 {source="Europe PMC"} xref: PMID:1814646 {source="Europe PMC"} xref: PMID:18202531 {source="Europe PMC"} xref: PMID:18452485 {source="Europe PMC"} xref: PMID:18509457 {source="Europe PMC"} xref: PMID:19212411 {source="Europe PMC"} xref: PMID:19319844 {source="Europe PMC"} xref: PMID:19727438 {source="Europe PMC"} xref: PMID:19928962 {source="Europe PMC"} xref: PMID:20967359 {source="Europe PMC"} xref: PMID:20974274 {source="Europe PMC"} xref: PMID:2100006 {source="Europe PMC"} xref: PMID:21248194 {source="Europe PMC"} xref: PMID:21356565 {source="Europe PMC"} xref: PMID:21373679 {source="Europe PMC"} xref: PMID:21596550 {source="Europe PMC"} xref: PMID:21871906 {source="Europe PMC"} xref: PMID:25515858 {source="Europe PMC"} xref: PMID:33346513 {source="Europe PMC"} xref: PMID:33461365 {source="Europe PMC"} xref: PMID:34077272 {source="Europe PMC"} xref: PMID:8333586 {source="Europe PMC"} xref: PMID:8750932 {source="Europe PMC"} xref: PMID:9022537 {source="Europe PMC"} xref: PMID:9038855 {source="Europe PMC"} xref: PMID:9094878 {source="Europe PMC"} xref: PMID:9164991 {source="Europe PMC"} xref: PMID:9176832 {source="Europe PMC"} xref: PMID:9371938 {source="Europe PMC"} xref: PMID:9416479 {source="Europe PMC"} xref: Reaxys:86838 {source="Reaxys"} xref: Wikipedia:Biotin is_a: CHEBI:176841 ! vitamin B7 property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H16N2O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YBJHBAHKTGYVGT-ZKWXMUAHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "244.31172" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "244.08816" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2" xsd:string [Term] id: CHEBI:16024 name: D-mannose namespace: chebi_ontology alt_id: CHEBI:12999 alt_id: CHEBI:21057 def: "A mannose with D-configuration." [] subset: 3_STAR synonym: "D-manno-hexose" EXACT IUPAC_NAME [IUPAC] synonym: "D-mannose" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:37684 ! mannose property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "180.15588" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "180.06339" xsd:string [Term] id: CHEBI:16038 name: phosphatidylethanolamine namespace: chebi_ontology alt_id: CHEBI:12701 alt_id: CHEBI:14803 alt_id: CHEBI:26030 alt_id: CHEBI:26031 alt_id: CHEBI:7661 alt_id: CHEBI:8129 def: "A class of glycerophospholipids in which a phosphatidyl group is esterified to the hydroxy group of ethanolamine." [] subset: 3_STAR synonym: "(3-Phosphatidyl)-ethanolamine" RELATED [KEGG_COMPOUND] synonym: "(3-Phosphatidyl)ethanolamine" RELATED [KEGG_COMPOUND] synonym: "1,2-diacyl-sn-glycero-3-phosphoethanolamine" RELATED [LIPID_MAPS] synonym: "1-Acyl-2-acyl-sn-glycero-3-phosphoethanolamine" RELATED [KEGG_COMPOUND] synonym: "Cephalin" RELATED [KEGG_COMPOUND] synonym: "O-(1-beta-Acyl-2-acyl-sn-glycero-3-phospho)ethanolamine" RELATED [KEGG_COMPOUND] synonym: "PE" RELATED [ChEBI] synonym: "phosphatidyl(amino)ethanols" EXACT IUPAC_NAME [IUPAC] synonym: "Phosphatidylethanolamine" EXACT [KEGG_COMPOUND] synonym: "phosphatidylethanolamines" EXACT IUPAC_NAME [IUPAC] synonym: "phosphatidylethanolamines" RELATED [ChEBI] synonym: "PtdEtn" RELATED [ChEBI] xref: DrugBank:DB04327 xref: HMDB:HMDB0060501 xref: KEGG:C00350 xref: LIPID_MAPS_instance:LMGP02010000 {source="LIPID MAPS"} xref: PMID:10540156 {source="Europe PMC"} xref: PMID:11042504 {source="Europe PMC"} xref: PMID:11159918 {source="Europe PMC"} xref: PMID:11829744 {source="Europe PMC"} xref: PMID:12139474 {source="Europe PMC"} xref: PMID:15653902 {source="Europe PMC"} xref: PMID:16037249 {source="Europe PMC"} xref: PMID:16303767 {source="Europe PMC"} xref: PMID:16620109 {source="Europe PMC"} xref: PMID:18034796 {source="Europe PMC"} xref: PMID:18259190 {source="Europe PMC"} xref: PMID:18398168 {source="Europe PMC"} xref: PMID:18462396 {source="Europe PMC"} xref: PMID:18570887 {source="Europe PMC"} xref: PMID:18957134 {source="Europe PMC"} xref: PMID:19393163 {source="Europe PMC"} xref: PMID:23354482 {source="Europe PMC"} xref: PMID:23369752 {source="Europe PMC"} xref: PMID:23543734 {source="Europe PMC"} xref: PMID:3196084 {source="Europe PMC"} xref: PMID:7980848 {source="Europe PMC"} xref: Wikipedia:Phosphatidylethanolamine is_a: CHEBI:16247 ! phospholipid is_a: CHEBI:190516 ! organic phosphate compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H12NO8PR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "269.146" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "269.03005" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O(P(=O)(OCCN)O)CC(OC(*)=O)COC(*)=O" xsd:string [Term] id: CHEBI:16112 name: chlorogenic acid namespace: chebi_ontology alt_id: CHEBI:13972 alt_id: CHEBI:23145 alt_id: CHEBI:3625 def: "A cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 3-hydroxy group of quinic acid. It is an intermediate metabolite in the biosynthesis of lignin." [] subset: 3_STAR synonym: "3-(3,4-Dihydroxycinnamoyl)quinic acid" RELATED [ChemIDplus] synonym: "3-Caffeoylquinic acid" RELATED [ChemIDplus] synonym: "3-O-Caffeoylquinic acid" RELATED [ChemIDplus] synonym: "5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid" RELATED [ChemIDplus] synonym: "[1S-(1alpha,3beta,4alpha,5alpha)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid" RELATED [ChEBI] synonym: "Caffeoyl quinic acid" RELATED [KEGG_COMPOUND] synonym: "Chlorogenate" RELATED [KEGG_COMPOUND] synonym: "Chlorogenic acid" EXACT [KEGG_COMPOUND] synonym: "edit(1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "trans-5-O-Caffeoyl-D-quinate" RELATED [KEGG_COMPOUND] xref: CAS:327-97-9 {source="KEGG COMPOUND"} xref: HMDB:HMDB0003164 xref: KEGG:C00852 xref: KNApSAcK:C00002724 xref: MetaCyc:CAFFEOYLQUINATE xref: PMID:16507475 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: Reaxys:2017157 {source="Reaxys"} xref: Wikipedia:Chlorogenic_acid is_a: CHEBI:26848 ! tannin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H18O9" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CWVRJTMFETXNAD-JUHZACGLSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "354.30870" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "354.09508" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\\C=C\\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O" xsd:string [Term] id: CHEBI:16113 name: cholesterol namespace: chebi_ontology alt_id: CHEBI:13982 alt_id: CHEBI:23204 alt_id: CHEBI:3659 alt_id: CHEBI:41564 def: "A cholestanoid consisting of cholestane having a double bond at the 5,6-position as well as a 3beta-hydroxy group." [] subset: 3_STAR synonym: "(3beta,14beta,17alpha)-cholest-5-en-3-ol" RELATED [IUPAC] synonym: "Cholest-5-en-3beta-ol" RELATED [KEGG_COMPOUND] synonym: "cholest-5-en-3beta-ol" EXACT IUPAC_NAME [IUPAC] synonym: "Cholesterin" RELATED [NIST_Chemistry_WebBook] synonym: "CHOLESTEROL" EXACT [PDBeChem] synonym: "Cholesterol" EXACT [KEGG_COMPOUND] synonym: "cholesterol" EXACT [UniProt] xref: Beilstein:2060565 {source="Beilstein"} xref: CAS:57-88-5 {source="KEGG COMPOUND"} xref: CAS:57-88-5 {source="NIST Chemistry WebBook"} xref: CAS:57-88-5 {source="ChemIDplus"} xref: DrugBank:DB04540 xref: Gmelin:550297 {source="Gmelin"} xref: HMDB:HMDB0000067 xref: KEGG:C00187 xref: KEGG:D00040 xref: KNApSAcK:C00003648 xref: LIPID_MAPS_instance:LMST01010001 {source="LIPID MAPS"} xref: MetaCyc:CHOLESTEROL xref: PDBeChem:CLR xref: PMID:10901445 {source="Europe PMC"} xref: PMID:11412894 {source="Europe PMC"} xref: PMID:16341241 {source="Europe PMC"} xref: PMID:24287311 {source="Europe PMC"} xref: PMID:25308664 {source="Europe PMC"} xref: PMID:25451949 {source="Europe PMC"} xref: PMID:25522988 {source="Europe PMC"} xref: PMID:25658343 {source="Europe PMC"} xref: PMID:25977713 {source="Europe PMC"} xref: PMID:4696527 {source="Europe PMC"} xref: PMID:8838010 {source="Europe PMC"} xref: Reaxys:2060565 {source="Reaxys"} xref: Wikipedia:Cholesterol is_a: CHEBI:15889 ! sterol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H46O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HVYWMOMLDIMFJA-DPAQBDIFSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "386.655" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "386.35487" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C[C@H](C1)O)[H])(CC[C@@]4([C@H](C)CCCC(C)C)[H])[H])C)[H])C" xsd:string [Term] id: CHEBI:16119 name: shikimic acid namespace: chebi_ontology alt_id: CHEBI:26662 alt_id: CHEBI:26664 alt_id: CHEBI:45740 alt_id: CHEBI:9133 def: "A cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid substituted by hydroxy groups at positions 3, 4 and 5 (the 3R,4S,5R stereoisomer). It is an intermediate metabolite in plants and microorganisms." [] subset: 3_STAR synonym: "(3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid" RELATED [KEGG_COMPOUND] synonym: "3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid" RELATED [ChemIDplus] synonym: "[3R-(3alpha,4alpha,5beta)]-3,4,5-trihydroxy-1-cyclohexene-1-carboxylic acid" RELATED [NIST_Chemistry_WebBook] synonym: "L-shikimic acid" RELATED [ChEBI] synonym: "Shikimate" RELATED [KEGG_COMPOUND] synonym: "Shikimic acid" EXACT [KEGG_COMPOUND] xref: Beilstein:2210055 {source="Beilstein"} xref: CAS:138-59-0 {source="ChemIDplus"} xref: CAS:138-59-0 {source="KEGG COMPOUND"} xref: CAS:138-59-0 {source="NIST Chemistry WebBook"} xref: HMDB:HMDB0003070 xref: KEGG:C00493 xref: KNApSAcK:C00001203 xref: PDBeChem:SKM xref: PMID:24190737 {source="Europe PMC"} xref: PMID:24628944 {source="Europe PMC"} xref: PMID:24783849 {source="Europe PMC"} xref: PMID:24836188 {source="Europe PMC"} xref: PMID:24894540 {source="Europe PMC"} xref: PMID:24981409 {source="Europe PMC"} xref: Reaxys:2210055 {source="Reaxys"} xref: Wikipedia:Shikimic_acid is_a: CHEBI:64709 ! organic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H10O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JXOHGGNKMLTUBP-HSUXUTPPSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "174.15130" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "174.05282" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(O)=O" xsd:string [Term] id: CHEBI:16196 name: oleic acid namespace: chebi_ontology alt_id: CHEBI:104361 alt_id: CHEBI:25664 alt_id: CHEBI:44741 alt_id: CHEBI:7741 def: "An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry." [] subset: 3_STAR synonym: "(9Z)-octadec-9-enoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(9Z)-Octadecenoic acid" RELATED [KEGG_COMPOUND] synonym: "(Z)-Octadec-9-enoic acid" RELATED [KEGG_COMPOUND] synonym: "18:1 n-9" RELATED [ChEBI] synonym: "18:1Delta9cis" RELATED [ChEBI] synonym: "C18:1 n-9" RELATED [ChEBI] synonym: "cis-9-octadecenoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "cis-Delta(9)-octadecenoic acid" RELATED [ChemIDplus] synonym: "cis-oleic acid" RELATED [ChEBI] synonym: "FA 18:1" RELATED [ChEBI] synonym: "Octadec-9-enoic acid" RELATED [ChEMBL] synonym: "Oelsaeure" RELATED [ChEBI] synonym: "Oleate" RELATED [KEGG_COMPOUND] synonym: "OLEIC ACID" EXACT [PDBeChem] synonym: "Oleic acid" EXACT [KEGG_COMPOUND] xref: Beilstein:1726542 {source="Beilstein"} xref: CAS:112-80-1 {source="KEGG COMPOUND"} xref: CAS:112-80-1 {source="NIST Chemistry WebBook"} xref: CAS:112-80-1 {source="ChemIDplus"} xref: Drug_Central:3400 {source="DrugCentral"} xref: DrugBank:DB04224 xref: ECMDB:ECMDB21348 xref: Gmelin:109551 {source="Gmelin"} xref: Gmelin:57556 {source="Gmelin"} xref: HMDB:HMDB0000207 xref: KEGG:C00712 xref: KEGG:D02315 xref: KNApSAcK:C00001232 xref: LIPID_MAPS_instance:LMFA01030002 {source="LIPID MAPS"} xref: PDBeChem:OLA xref: PMID:11304127 {source="Europe PMC"} xref: PMID:15325315 {source="Europe PMC"} xref: PMID:15723125 {source="Europe PMC"} xref: PMID:18772370 {source="Europe PMC"} xref: PMID:19761868 {source="Europe PMC"} xref: PMID:23844805 {source="Europe PMC"} xref: PMID:24819471 {source="Europe PMC"} xref: PMID:25584012 {source="Europe PMC"} xref: PMID:25794012 {source="Europe PMC"} xref: PMID:5332408 {source="Europe PMC"} xref: PMID:6205897 {source="Europe PMC"} xref: Reaxys:1726542 {source="Reaxys"} xref: Wikipedia:Oleic_acid is_a: CHEBI:25413 ! monounsaturated fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H34O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZQPPMHVWECSIRJ-KTKRTIGZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "282.46140" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "282.25588" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCC\\C=C/CCCCCCCC(O)=O" xsd:string [Term] id: CHEBI:16204 name: phloroglucinol namespace: chebi_ontology alt_id: CHEBI:11159 alt_id: CHEBI:14788 alt_id: CHEBI:22710 alt_id: CHEBI:8114 def: "A benzenetriol with hydroxy groups at position 1, 3 and 5." [] subset: 3_STAR synonym: "1,3,5-Benzenetriol" RELATED [KEGG_COMPOUND] synonym: "1,3,5-Trihydroxybenzene" RELATED [KEGG_COMPOUND] synonym: "1,3,5-trihydroxybenzene" RELATED [UniProt] synonym: "benzene-1,3,5-triol" EXACT IUPAC_NAME [IUPAC] synonym: "benzene-1,3,5-triol" RELATED [ChEBI] synonym: "Phloroglucinol" EXACT [KEGG_COMPOUND] synonym: "s-Trihydroxybenzene" RELATED [ChemIDplus] xref: CAS:108-73-6 {source="ChemIDplus"} xref: CAS:108-73-6 {source="KEGG COMPOUND"} xref: Drug_Central:2153 {source="DrugCentral"} xref: HMDB:HMDB0013675 xref: KEGG:C02183 xref: KEGG:D00152 xref: KNApSAcK:C00002665 xref: MetaCyc:CPD-16 xref: PMID:25456733 {source="Europe PMC"} xref: PMID:25640118 {source="Europe PMC"} xref: Reaxys:1341907 {source="Reaxys"} xref: UM-BBD_compID:c0026 {source="UM-BBD"} xref: Wikipedia:Phloroglucinol is_a: CHEBI:26848 ! tannin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H6O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QCDYQQDYXPDABM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "126.11004" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "126.03169" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1cc(O)cc(O)c1" xsd:string [Term] id: CHEBI:16243 name: quercetin namespace: chebi_ontology alt_id: CHEBI:11704 alt_id: CHEBI:14991 alt_id: CHEBI:26472 alt_id: CHEBI:45280 alt_id: CHEBI:8696 def: "A pentahydroxyflavone having the five hydroxy groups placed at the 3-, 3'-, 4'-, 5- and 7-positions. It is one of the most abundant flavonoids in edible vegetables, fruit and wine." [] subset: 3_STAR synonym: "2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one" RELATED [ChEBI] synonym: "2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "3,3',4',5,7-pentahydroxyflavone" RELATED [ChEBI] synonym: "3,5,7,3',4'-PENTAHYDROXYFLAVONE" RELATED [PDBeChem] synonym: "3,5,7,3',4'-Pentahydroxyflavone" RELATED [KEGG_COMPOUND] synonym: "Quercetin" EXACT [KEGG_COMPOUND] synonym: "sophoretin" RELATED [ChEBI] synonym: "xanthaurine" RELATED [ChEBI] xref: Beilstein:317313 {source="Beilstein"} xref: CAS:117-39-5 {source="ChemIDplus"} xref: CAS:117-39-5 {source="NIST Chemistry WebBook"} xref: Drug_Central:3514 {source="DrugCentral"} xref: DrugBank:DB04216 xref: FooDB:FDB011904 xref: Gmelin:579210 {source="Gmelin"} xref: HMDB:HMDB0005794 xref: KEGG:C00389 xref: KNApSAcK:C00004631 xref: LINCS:LSM-4199 xref: LIPID_MAPS_instance:LMPK12110004 {source="LIPID MAPS"} xref: MetaCyc:CPD-520 xref: Patent:KR20120121684 xref: Patent:US2013012577 xref: PDBeChem:QUE xref: PMID:16226777 {source="Europe PMC"} xref: PMID:17015250 {source="Europe PMC"} xref: PMID:17135030 {source="Europe PMC"} xref: PMID:17426744 {source="Europe PMC"} xref: PMID:18096136 {source="Europe PMC"} xref: PMID:18484521 {source="Europe PMC"} xref: PMID:18549926 {source="Europe PMC"} xref: PMID:18564899 {source="Europe PMC"} xref: PMID:18579649 {source="Europe PMC"} xref: PMID:18785622 {source="Europe PMC"} xref: PMID:19043800 {source="Europe PMC"} xref: PMID:19461927 {source="Europe PMC"} xref: PMID:22920589 {source="Europe PMC"} xref: PMID:23342112 {source="Europe PMC"} xref: PMID:23359794 {source="Europe PMC"} xref: PMID:27565033 {source="Europe PMC"} xref: PMID:27589790 {source="Europe PMC"} xref: PMID:27591927 {source="Europe PMC"} xref: PMID:27704720 {source="Europe PMC"} xref: Reaxys:317313 {source="Reaxys"} xref: Wikipedia:Quercetin is_a: CHEBI:42491 ! flavone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H10O7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "REFJWTPEDVJJIY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "302.238" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "302.04265" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1" xsd:string [Term] id: CHEBI:16247 name: phospholipid namespace: chebi_ontology alt_id: CHEBI:14816 alt_id: CHEBI:26063 alt_id: CHEBI:8150 def: "A lipid containing phosphoric acid as a mono- or di-ester. The term encompasses phosphatidic acids and phosphoglycerides." [] subset: 3_STAR synonym: "a phospholipid derivative" RELATED [UniProt] synonym: "Phospholipid" EXACT [KEGG_COMPOUND] synonym: "phospholipids" RELATED [ChEBI] xref: KEGG:C00865 is_a: CHEBI:18059 ! lipid [Term] id: CHEBI:16261 name: chitosan namespace: chebi_ontology alt_id: CHEBI:13964 alt_id: CHEBI:3599 def: "An aminoglycan consisting of beta-(1->4)-linked D-glucosamine residues." [] subset: 3_STAR synonym: "(1->4)-2-amino-2-deoxy-beta-D-glucan" EXACT IUPAC_NAME [IUPAC] synonym: "[4)-beta-D-GlcpN(1->]n" RELATED [IUPAC] synonym: "beta-1,4-Poly-D-glucosamine" RELATED [KEGG_COMPOUND] synonym: "Chitosan" EXACT [KEGG_COMPOUND] synonym: "Deacetylchitin" RELATED [ChemIDplus] synonym: "poliglusam" RELATED INN [ChemIDplus] xref: CAS:9012-76-4 {source="ChemIDplus"} xref: KEGG:C00734 xref: KEGG:G10536 is_a: CHEBI:16646 ! carbohydrate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H2O(C6H11NO4)n" xsd:string [Term] id: CHEBI:16374 name: menaquinone namespace: chebi_ontology alt_id: CHEBI:14582 alt_id: CHEBI:25184 alt_id: CHEBI:6749 def: "Any member of the class of menaquinones that is 2-methyl-1,4-naphthoquinone with an unsaturated isoprenoid chain at the 3-position." [] subset: 3_STAR synonym: "a menaquinone" RELATED [UniProt] synonym: "Menaquinone" EXACT [KEGG_COMPOUND] synonym: "menaquinone-n" RELATED [ChEBI] synonym: "Menatetrenone" RELATED [KEGG_COMPOUND] synonym: "MK-n" RELATED [ChEBI] synonym: "vitamin K2" RELATED [ChemIDplus] xref: CAS:11032-49-8 {source="ChemIDplus"} xref: CAS:11032-49-8 {source="KEGG COMPOUND"} xref: KEGG:C00828 xref: Wikipedia:Vitamin_K2 is_a: CHEBI:28384 ! vitamin K property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "(C5H8)nC11H8O2" xsd:string [Term] id: CHEBI:16382 name: iodide name: iodine namespace: chebi_ontology alt_id: CHEBI:14460 alt_id: CHEBI:49698 alt_id: CHEBI:5946 subset: 3_STAR synonym: "I(-)" RELATED [IUPAC] synonym: "I-" RELATED [KEGG_COMPOUND] synonym: "Iodide" EXACT [KEGG_COMPOUND] synonym: "iodide" EXACT [UniProt] synonym: "iodide" EXACT IUPAC_NAME [IUPAC] synonym: "IODIDE ION" RELATED [PDBeChem] synonym: "iodide(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "iodine anion" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:3587184 {source="Beilstein"} xref: CAS:20461-54-5 {source="NIST Chemistry WebBook"} xref: CAS:20461-54-5 {source="ChemIDplus"} xref: Gmelin:14912 {source="Gmelin"} xref: KEGG:C00708 xref: PDBeChem:IOD is_a: CDNO:0000025 ! dietary iodine property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "I" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/HI/h1H/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XMBWDFGMSWQBCA-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "126.90447" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "126.90502" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[I-]" xsd:string [Term] id: CHEBI:16449 name: alanine namespace: chebi_ontology alt_id: CHEBI:13748 alt_id: CHEBI:22277 alt_id: CHEBI:2539 def: "An alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2." [] subset: 3_STAR synonym: "2-Aminopropanoic acid" RELATED [KEGG_COMPOUND] synonym: "2-aminopropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2-Aminopropionic acid" RELATED [KEGG_COMPOUND] synonym: "A" RELATED [ChEBI] synonym: "ALA" RELATED [ChEBI] synonym: "Alanin" RELATED [ChEBI] synonym: "alanina" RELATED [ChEBI] synonym: "Alanine" EXACT [KEGG_COMPOUND] synonym: "alanine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:635807 {source="Beilstein"} xref: CAS:302-72-7 {source="ChemIDplus"} xref: CAS:302-72-7 {source="NIST Chemistry WebBook"} xref: CAS:302-72-7 {source="KEGG COMPOUND"} xref: Drug_Central:4306 {source="DrugCentral"} xref: Gmelin:2449 {source="Gmelin"} xref: KEGG:C01401 xref: PMID:17439666 {source="Europe PMC"} xref: PMID:22264337 {source="Europe PMC"} xref: Reaxys:635807 {source="Reaxys"} xref: Wikipedia:Alanine is_a: CHEBI:33709 ! amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QNAYBMKLOCPYGJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "89.09322" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "89.04768" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(N)C(O)=O" xsd:string [Term] id: CHEBI:16634 name: raffinose namespace: chebi_ontology alt_id: CHEBI:15015 alt_id: CHEBI:26521 alt_id: CHEBI:49843 alt_id: CHEBI:8771 def: "A trisaccharide composed of alpha-D-galactopyranose, alpha-D-glucopyranose and beta-D-fructofuranose joined in sequence by 1->6 and 1<->2 glycosidic linkages, respectively." [] subset: 3_STAR synonym: "6G-alpha-D-galactosylsucrose" RELATED [KEGG_COMPOUND] synonym: "alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranosyl beta-D-fructofuranoside" RELATED [JCBN] synonym: "alpha-D-Galp-(1->6)-alpha-D-Glcp-(1<->2)-beta-D-Fruf" RELATED [JCBN] synonym: "beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "Gossypose" RELATED [KEGG_COMPOUND] synonym: "Melitose" RELATED [KEGG_COMPOUND] synonym: "Melitriose" RELATED [KEGG_COMPOUND] synonym: "Raffinose" EXACT [KEGG_COMPOUND] synonym: "raffinose" EXACT [UniProt] synonym: "rafinose" RELATED [ChEBI] synonym: "raflinose" RELATED [ChEBI] xref: CAS:512-69-6 {source="ChemIDplus"} xref: CAS:512-69-6 {source="KEGG COMPOUND"} xref: HMDB:HMDB0003213 xref: KEGG:C00492 xref: KEGG:G00249 xref: KNApSAcK:C00001145 xref: MetaCyc:CPD-1099 xref: PDBeChem:RAF xref: PMID:23317449 {source="Europe PMC"} xref: PMID:23879777 {source="Europe PMC"} xref: PMID:23882273 {source="Europe PMC"} xref: PMID:24001862 {source="Europe PMC"} xref: PMID:24354450 {source="Europe PMC"} xref: PMID:24360500 {source="Europe PMC"} xref: Reaxys:99543 {source="Reaxys"} xref: Wikipedia:Raffinose is_a: CHEBI:74961 ! raffinose family oligosaccharide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H32O16" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MUPFEKGTMRGPLJ-ZQSKZDJDSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "504.43710" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "504.16903" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:16646 name: carbohydrate namespace: chebi_ontology alt_id: CHEBI:15131 alt_id: CHEBI:23008 alt_id: CHEBI:9318 def: "Any member of the class of organooxygen compounds that is a polyhydroxy-aldehyde or -ketone or a lactol resulting from their intramolecular condensation (monosaccharides); substances derived from these by reduction of the carbonyl group (alditols), by oxidation of one or more hydroxy groups to afford the corresponding aldehydes, ketones, or carboxylic acids, or by replacement of one or more hydroxy group(s) by a hydrogen atom; and polymeric products arising by intermolecular acetal formation between two or more such molecules (disaccharides, polysaccharides and oligosaccharides). Carbohydrates contain only carbon, hydrogen and oxygen atoms; prior to any oxidation or reduction, most have the empirical formula Cm(H2O)n. Compounds obtained from carbohydrates by substitution, etc., are known as carbohydrate derivatives and may contain other elements. Cyclitols are generally not regarded as carbohydrates." [] subset: 3_STAR synonym: "a carbohydrate" RELATED [UniProt] synonym: "carbohidrato" RELATED [IUPAC] synonym: "carbohidratos" RELATED [IUPAC] synonym: "carbohydrate" EXACT IUPAC_NAME [IUPAC] synonym: "carbohydrates" EXACT IUPAC_NAME [IUPAC] synonym: "glucide" RELATED [ChEBI] synonym: "glucides" RELATED [ChEBI] synonym: "glucido" RELATED [ChEBI] synonym: "glucidos" RELATED [ChEBI] synonym: "hydrates de carbone" RELATED [ChEBI] synonym: "Kohlenhydrat" RELATED [ChEBI] synonym: "Kohlenhydrate" RELATED [ChEBI] synonym: "saccharide" RELATED [IUPAC] synonym: "saccharides" RELATED [IUPAC] synonym: "saccharidum" RELATED [ChEBI] xref: Wikipedia:Carbohydrate is_a: CDNO:0000001 ! dietary chemical component [Term] id: CHEBI:166885 name: prolamin namespace: chebi_ontology def: "A group of plant storage proteins having a high proline amino acid content." [] subset: 3_STAR synonym: "prolamins" RELATED [ChEBI] xref: AGR:IND606466950 {source="Europe PMC"} xref: PMID:2183790 {source="SUBMITTER"} xref: PMID:31318957 {source="Europe PMC"} xref: Wikipedia:Prolamin is_a: CHEBI:166899 ! globulin type [Term] id: CHEBI:166886 name: cruciferin namespace: chebi_ontology def: "A complex of six monomers, has a predominantly beta-sheet-containing secondary structure" [] subset: 2_STAR xref: PMID:23192340 {source="SUBMITTER"} xref: Wikipedia:https\://en.wikipedia.org/wiki/Cruciferin {source="SUBMITTER"} is_a: CHEBI:166899 ! globulin type [Term] id: CHEBI:166887 name: glutenin namespace: chebi_ontology def: "Proteins with high-molecular-mass (HMW) and low-molecular-mass (LMW) subunits with molar masses from about 200,000 to a few million, which are stabilized by intermolecular disulfide bonds, hydrophobic interactions and other forces. Glutenin is responsible for the strength and elasticity of dough" [] subset: 2_STAR xref: PMID:28552833 {source="SUBMITTER"} xref: Wikipedia:https\://en.wikipedia.org/wiki/Glutenin {source="SUBMITTER"} is_a: CHEBI:166899 ! globulin type [Term] id: CHEBI:166888 name: avenasterol namespace: chebi_ontology alt_id: CHEBI:80096 def: "A stigmastane sterol that is 5alpha-stigmastane carrying a hydroxy group at position 3beta and double bonds at positions 7 and 24." [] subset: 3_STAR synonym: "(24Z)-5alpha-stigmasta-7,24(28)-dien-3beta-ol" EXACT IUPAC_NAME [IUPAC] synonym: "(Z)-24-ethylidene-5alpha-cholest-7-en-3beta-ol" RELATED [ChemIDplus] synonym: "24Z-ethylidene-cholest-7-en-3beta-ol" RELATED [LIPID_MAPS] synonym: "24Z-ethylidenelathosterol" RELATED [ChemIDplus] synonym: "7-dehydroavenasterol" RELATED [KEGG_COMPOUND] synonym: "Delta(7)-avenasterol" RELATED [ChEBI] synonym: "Delta-7-avenasterol" RELATED [ChEBI] synonym: "delta-7-avenasterol" RELATED [ChEBI] synonym: "delta7-avenasterol" RELATED [LIPID_MAPS] synonym: "delta7-avenasterol" RELATED [ChemIDplus] xref: AGR:IND606116260 {source="Europe PMC"} xref: AGR:IND606555602 {source="Europe PMC"} xref: AGR:IND606838474 {source="Europe PMC"} xref: AGR:IND606982361 {source="Europe PMC"} xref: AGR:IND606998166 {source="Europe PMC"} xref: CAS:23290-26-8 {source="ChemIDplus"} xref: Chemspider:4444703 xref: FooDB:FDB030685 xref: HMDB:HMDB0006851 xref: KEGG:C15782 xref: KNApSAcK:C00007322 xref: LIPID_MAPS_instance:LMST01040154 {source="LIPID MAPS"} xref: MetaCyc:CPD-4125 xref: PMID:11829639 {source="Europe PMC"} xref: PMID:20557911 {source="Europe PMC"} xref: PMID:28078712 {source="Europe PMC"} xref: PMID:30178878 {source="Europe PMC"} xref: PMID:31368539 {source="Europe PMC"} xref: PMID:31373097 {source="Europe PMC"} xref: PMID:32468588 {source="Europe PMC"} xref: PMID:32549600 {source="Europe PMC"} xref: Wikipedia:Avenasterol is_a: CHEBI:26125 ! phytosterol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C29H48O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,11,19-20,22-23,25-27,30H,8-10,12-18H2,1-6H3/b21-7-/t20-,22+,23+,25-,26+,27+,28+,29-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MCWVPSBQQXUCTB-OQTIOYDCSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "412.702" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "412.37052" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC\\C(=C\\C)C(C)C" xsd:string [Term] id: CHEBI:166889 name: delta7-stigmasterol namespace: chebi_ontology subset: 2_STAR synonym: "Corbisterol" RELATED [SUBMITTER] xref: CAS:481-19-6 {source="SUBMITTER"} is_a: CHEBI:28824 ! stigmasterol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C29H46O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-11,19-21,23,25-27,30H,7,12-18H2,1-6H3/b9-8+/t20-,21-,23+,25-,26+,27+,28+,29-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OQMZNAMGEHIHNN-CIFIHVIMSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "410.686" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "410.35487" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O([C@@]1(C(C=2[C@@]([C@@]3(C([C@]4([C@@]([C@](C(C4([H])[H])([H])[H])([C@](C([H])([H])[H])(/C(=C(/[C@](C(C([H])([H])[H])(C([H])([H])[H])[H])(C(C([H])([H])[H])([H])[H])[H])\\[H])/[H])[H])[H])(C(C3([H])[H])([H])[H])C([H])([H])[H])[H])=C(C2[H])[H])[H])(C(C1([H])[H])([H])[H])C([H])([H])[H])([H])[H])[H])[H]" xsd:string [Term] id: CHEBI:16689 name: D-apiose namespace: chebi_ontology alt_id: CHEBI:12911 alt_id: CHEBI:20908 alt_id: CHEBI:4099 alt_id: CHEBI:57860 subset: 3_STAR synonym: "3-C-(hydroxymethyl)-D-glycero-tetrose" EXACT IUPAC_NAME [IUPAC] synonym: "3-C-Hydroxymethyltetrose" RELATED [ChemIDplus] synonym: "aldehydo-D-apiose" RELATED [UniProt] synonym: "Apiose" RELATED [ChemIDplus] synonym: "apiose" RELATED [] synonym: "D-Api" RELATED [JCBN] synonym: "D-Apiose" EXACT [KEGG_COMPOUND] xref: CAS:639-97-4 {source="KEGG COMPOUND"} xref: KEGG:C01488 is_a: CHEBI:35381 ! monosaccharide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10O5/c6-1-4(9)5(10,2-7)3-8/h1,4,7-10H,2-3H2/t4-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AVGPOAXYRRIZMM-BYPYZUCNSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "150.12990" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "150.05282" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OCC(O)(CO)[C@@H](O)C=O" xsd:string [Term] id: CHEBI:166890 name: phenolic acid namespace: chebi_ontology def: "Phenols that include substances containing a phenolic ring and at least one organic carboxylic acid function." [] subset: 2_STAR synonym: "phenolcarboxylic acids" RELATED [SUBMITTER] xref: CAS:29656-58-4 {source="SUBMITTER"} xref: Wikipedia:https\://en.wikipedia.org/wiki/Phenolic_acid {source="SUBMITTER"} is_a: CDNO:0000013 ! plant secondary metabolite [Term] id: CHEBI:166891 name: phenylpropane namespace: chebi_ontology def: "Phenylpropane is a colorless liquid. The compound consists of a phenyl group attached to allyl. Phenylpropene isomerizes to trans-propenylbenzene." [] subset: 2_STAR xref: CAS:300-57-2 {source="SUBMITTER"} xref: Wikipedia:https\://en.wikipedia.org/wiki/Phenylpropene {source="SUBMITTER"} is_a: CHEBI:24689 ! hydroxycinnamic acid [Term] id: CHEBI:166892 name: aglycone namespace: chebi_ontology def: "The non-sugar compound remaining after replacement of the glycosyl group from a glycoside by a hydrogen atom." [] subset: 3_STAR synonym: "aglycon" RELATED [ChEBI] synonym: "genin" RELATED [ChEBI] xref: Wikipedia:Aglycone is_a: CHEBI:22580 ! anthraquinone [Term] id: CHEBI:166893 name: eicosatetraenoic acid namespace: chebi_ontology subset: 2_STAR xref: Wikipedia:https\://en.wikipedia.org/wiki/Eicosatetraenoic_acid {source="SUBMITTER"} is_a: CHEBI:25681 ! ω−3 fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H32O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h12-19H,2-11H2,1H3,(H,21,22)/b13-12+,15-14+,17-16+,19-18+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IQLUYYHUNSSHIY-HZUMYPAESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "304.474" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "304.24023" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O(C(=O)\\C(=C(\\C(=C(\\C(=C(\\C(=C(\\C(C(C(C(C(C(C(C(C(C(C([H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])/[H])\\[H])/[H])\\[H])/[H])\\[H])/[H])\\[H])[H]" xsd:string [Term] id: CHEBI:166894 name: xanthonolignoid namespace: chebi_ontology subset: 2_STAR xref: PMID:12570717 {source="SUBMITTER"} is_a: CHEBI:51149 ! xanthones property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C24H20O9" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C24H20O9/c1-29-14-7-6-11(8-12(14)26)22-18(10-25)33-23-17(32-22)9-13(27)19-21(28)20-15(30-2)4-3-5-16(20)31-24(19)23/h3-9,18,22,25-27H,10H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JVIFPKVYVMFZHK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "452.415" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "452.11073" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O1C(C(OC2=C1C=3OC4=C(C(=O)C3C(O[H])=C2[H])C(OC([H])([H])[H])=C(C(=C4[H])[H])[H])(C5=C(C(O[H])=C(OC([H])([H])[H])C(=C5[H])[H])[H])[H])(C(O[H])([H])[H])[H]" xsd:string [Term] id: CHEBI:166895 name: procyanidin namespace: chebi_ontology def: "oligomeric compounds, formed from catechin and epicatechin molecules. They yield cyanidin when depolymerized under oxidative conditions." [] subset: 2_STAR xref: CAS:4852-22-6 {source="SUBMITTER"} xref: Wikipedia:https\://en.wikipedia.org/wiki/Procyanidin {source="SUBMITTER"} is_a: CHEBI:26267 ! proanthocyanidin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C30H26O13" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C30H26O13/c31-14-7-19(35)16-11-25(28(41-23(16)9-14)12-1-3-17(33)20(36)5-12)43-30(13-2-4-18(34)21(37)6-13)29(40)27(39)26-22(38)8-15(32)10-24(26)42-30/h1-10,25,27-29,31-40H,11H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HGVVOUNEGQIPMS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "594.525" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "594.13734" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O(C1(OC=2C(C(O[H])(C1(O[H])[H])[H])=C(O[H])C(=C(O[H])C2[H])[H])C3=C(C(O[H])=C(O[H])C(=C3[H])[H])[H])C4(C(OC=5C(C4([H])[H])=C(O[H])C(=C(O[H])C5[H])[H])(C6=C(C(O[H])=C(O[H])C(=C6[H])[H])[H])[H])[H]" xsd:string [Term] id: CHEBI:166896 name: peltogynoid namespace: chebi_ontology def: "Peltogynoid compounds, differing from other flavonoids by the presence of a fourth ring, have been isolated from a small group of species, however, their biological activities remain to be defined." [] subset: 2_STAR is_a: CHEBI:47916 ! flavonoid [Term] id: CHEBI:166897 name: 3-arylcoumarin namespace: chebi_ontology def: "compounds having a coumarin skeleton and having an aryl structure at the 3-position" [] subset: 2_STAR xref: PMID:30746966 {source="SUBMITTER"} is_a: CHEBI:50753 ! isoflavonoid [Term] id: CHEBI:166898 name: allomelanin namespace: chebi_ontology def: "Allomelanin is a type of nitrogen-free melanin most commonly found in fungi" [] subset: 2_STAR xref: PMID:31524373 {source="SUBMITTER"} is_a: CHEBI:23055 ! catechol melanin [Term] id: CHEBI:166899 name: globulin type namespace: chebi_ontology def: "One of the major classifications of proteins, which may be further divided into the euglobulins and the pseudoglobulins. The former group is insoluble in water but soluble in saline solutions and may be precipitated in water that has been half-saturated with a salt such as ammonium sulfate. The latter group is soluble in water and has properties that resemble those of the true globulins. Globulins are an important source of protein in seed plants and are found in minute amounts in cereals. Globulins found in animal fluids are enzymes, antibodies, and fibrous and contractile proteins usually contained in the blood plasma." [] subset: 2_STAR xref: Wikipedia:https\://en.wikipedia.org/wiki/Globulin {source="SUBMITTER"} is_a: CDNO:0000009 ! seed storage protein [Term] id: CHEBI:166964 name: albumin type namespace: chebi_ontology def: "Family of globular proteins, the most common of which are the serum albumins. All the proteins of the albumin family are water-soluble, moderately soluble in concentrated salt solutions, and experience heat denaturation." [] subset: 2_STAR xref: PMID:32481022 {source="SUBMITTER"} xref: Wikipedia:https\://en.wikipedia.org/wiki/Albumin#Other_albumin_types {source="SUBMITTER"} is_a: CDNO:0000009 ! seed storage protein [Term] id: CHEBI:166965 name: simple oxygenated xanthones namespace: chebi_ontology def: "Simple oxygenated xanthones are subdivided according to the degree of oxygenation into non-, mono-, di-, tri-, tetra-, penta-, and hexaoxygenated substances. In these xanthones the substituents are simple hydroxy, methoxy, or methyl groups. About 150 simple oxygenated xanthones have been reported." [] subset: 2_STAR is_a: CHEBI:51149 ! xanthones [Term] id: CHEBI:166966 name: prenylated and related xanthones namespace: chebi_ontology def: "These xanthones are usually restricted to the plant species of the family Guttiferae. The major C5 unit of the substituents included the commonly found 3-methylbut-2-enyl or isoprenyl group as in isoemericellin and the less frequent 3-hydroxy-3-methylbutyl as in nigrolineaxanthone P and 1,1-dimethylprop-2-enyl as in globuxanthone, respectively." [] subset: 2_STAR is_a: CHEBI:51149 ! xanthones [Term] id: CHEBI:166967 name: cis-fatty acid namespace: chebi_ontology def: "A cis configuration means that the two hydrogen atoms adjacent to the double bond stick out on the same side of the chain. The rigidity of the double bond freezes its conformation and, in the case of the cis isomer, causes the chain to bend and restricts the conformational freedom of the fatty acid. The more double bonds the chain has in the cis configuration, the less flexibility it has. When a chain has many cis bonds, it becomes quite curved in its most accessible conformations." [] subset: 2_STAR xref: Wikipedia:https\://en.wikipedia.org/wiki/Fatty_acid {source="SUBMITTER"} is_a: CHEBI:35366 ! fatty acid [Term] id: CHEBI:166968 name: trans-fatty acid namespace: chebi_ontology def: "A trans configuration in contrast to the cis, means that the adjacent two hydrogen atoms lie on opposite sides of the chain. As a result, they do not cause the chain to bend much, and their shape is similar to straight saturated fatty acids." [] subset: 2_STAR xref: Wikipedia:https\://en.wikipedia.org/wiki/Fatty_acid {source="SUBMITTER"} is_a: CHEBI:35366 ! fatty acid [Term] id: CHEBI:16709 name: pyridoxine namespace: chebi_ontology alt_id: CHEBI:14981 alt_id: CHEBI:26429 alt_id: CHEBI:8671 def: "A hydroxymethylpyridine with hydroxymethyl groups at positions 4 and 5, a hydroxy group at position 3 and a methyl group at position 2. The 4-methanol form of vitamin B6, it is converted intoto pyridoxal phosphate which is a coenzyme for synthesis of amino acids, neurotransmitters, sphingolipids and aminolevulinic acid." [] subset: 3_STAR synonym: "2-methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine" RELATED [ChemIDplus] synonym: "2-methyl-3-hydroxy-4,5-di(hydroxymethyl)pyridine" RELATED [ChemIDplus] synonym: "2-Methyl-3-hydroxy-4,5-dihydroxymethyl-pyridin" RELATED [ChemIDplus] synonym: "2-methyl-3-hydroxy-4,5-dihydroxymethylpyridine" RELATED [NIST_Chemistry_WebBook] synonym: "2-methyl-4,5-bis(hydroxymethyl)-3-hydroxypyridine" RELATED [ChemIDplus] synonym: "2-methyl-4,5-dimethylol-pyridin-3-ol" RELATED [ChEBI] synonym: "3-hydroxy-2-picoline-4,5-dimethanol" RELATED [ChemIDplus] synonym: "3-hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridine" RELATED [ChEBI] synonym: "3-hydroxy-4,5-dimethylol-alpha-picoline" RELATED [NIST_Chemistry_WebBook] synonym: "4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol" RELATED [ChEBI] synonym: "4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol" EXACT IUPAC_NAME [IUPAC] synonym: "5-hydroxy-6-methyl-3,4-pyridinedimethanol" RELATED [NIST_Chemistry_WebBook] synonym: "piridossina" RELATED [HMDB] synonym: "pyridoxina" RELATED INN [WHO_MedNet] synonym: "pyridoxine" EXACT [UniProt] synonym: "pyridoxine" RELATED INN [WHO_MedNet] synonym: "pyridoxinum" RELATED INN [WHO_MedNet] synonym: "Pyridoxol" RELATED [KEGG_COMPOUND] synonym: "pyridoxolum" RELATED [HMDB] synonym: "vitamin B6" RELATED [NIST_Chemistry_WebBook] xref: AGR:IND607198670 {source="Europe PMC"} xref: Beilstein:139854 {source="Beilstein"} xref: CAS:65-23-6 {source="NIST Chemistry WebBook"} xref: CAS:65-23-6 {source="KEGG COMPOUND"} xref: CAS:65-23-6 {source="ChemIDplus"} xref: Chemspider:1025 xref: Drug_Central:2836 {source="DrugCentral"} xref: DrugBank:DB00165 xref: FooDB:FDB000574 xref: Gmelin:563676 {source="Gmelin"} xref: HMDB:HMDB0000239 xref: KEGG:C00314 xref: KEGG:D08454 xref: KNApSAcK:C00001551 xref: LINCS:LSM-5324 xref: MetaCyc:PYRIDOXINE xref: PDBeChem:UEG xref: PMID:10687314 {source="Europe PMC"} xref: PMID:10894227 {source="Europe PMC"} xref: PMID:11562405 {source="Europe PMC"} xref: PMID:12640345 {source="Europe PMC"} xref: PMID:12768081 {source="Europe PMC"} xref: PMID:13046427 {source="Europe PMC"} xref: PMID:15132238 {source="Europe PMC"} xref: PMID:15369738 {source="Europe PMC"} xref: PMID:15756083 {source="Europe PMC"} xref: PMID:16236150 {source="Europe PMC"} xref: PMID:16277693 {source="Europe PMC"} xref: PMID:16690736 {source="Europe PMC"} xref: PMID:17044573 {source="Europe PMC"} xref: PMID:22932811 {source="Europe PMC"} xref: PMID:24035968 {source="Europe PMC"} xref: PMID:24601602 {source="Europe PMC"} xref: PMID:2580028 {source="Europe PMC"} xref: PMID:27113583 {source="Europe PMC"} xref: PMID:2885064 {source="Europe PMC"} xref: PMID:31093449 {source="Europe PMC"} xref: PMID:32105687 {source="Europe PMC"} xref: PMID:33549283 {source="Europe PMC"} xref: PMID:33665688 {source="Europe PMC"} xref: PMID:3710434 {source="Europe PMC"} xref: PMID:559690 {source="Europe PMC"} xref: PMID:6624427 {source="Europe PMC"} xref: PMID:6801073 {source="Europe PMC"} xref: PMID:9625217 {source="Europe PMC"} xref: Reaxys:139854 {source="Reaxys"} xref: Wikipedia:Pyridoxine is_a: CHEBI:27306 ! vitamin B6 property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H11NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LXNHXLLTXMVWPM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "169.180" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "169.07389" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1=C(O)C(CO)=C(CO)C=N1" xsd:string [Term] id: CHEBI:167164 name: mineral nutrient namespace: chebi_ontology def: "A mineral that is an inorganic nutrient which must be ingested and absorbed in adequate amounts to satisfy a wide range of essential metabolic and/or structural functions in the human body" [] def: "A mineral that is an inorganic nutrient which must be ingested and absorbed in adequate amounts to satisfy a wide range of essential metabolic and/or structural functions in the human body." [] subset: 3_STAR synonym: "essential mineral, element" EXACT [] synonym: "mineral nutrient" EXACT [ChEBI] synonym: "mineral nutrients" RELATED [ChEBI] synonym: "nutrient mineral" RELATED [ChEBI] synonym: "nutrient minerals" RELATED [ChEBI] xref: Wikipedia:Mineral_(nutrient) is_a: CDNO:0000001 ! dietary chemical component [Term] id: CHEBI:16726 name: cyanidin 3-O-rutinoside chloride namespace: chebi_ontology alt_id: CHEBI:14039 alt_id: CHEBI:23431 alt_id: CHEBI:3976 def: "A member of the class of anthocyanin chlorides that has cyanidin 3-O-rutinoside as the cationic counterpart." [] subset: 3_STAR synonym: "2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside chloride" EXACT IUPAC_NAME [IUPAC] synonym: "Antirrhinin" RELATED [ChemIDplus] synonym: "Cyanidin 3-rutinoside" RELATED [KEGG_COMPOUND] synonym: "Cyanidin-3-rhamnoglucoside chloride" RELATED [ChemIDplus] synonym: "Cyanidin-3-rhamnoglucoside chloride" RELATED [KEGG_COMPOUND] synonym: "Keracyanin" RELATED [KEGG_COMPOUND] synonym: "Prunicyanin" RELATED [ChemIDplus] synonym: "Sambucin" RELATED [ChemIDplus] xref: CAS:18719-76-1 {source="KEGG COMPOUND"} xref: CAS:18719-76-1 {source="ChemIDplus"} xref: KEGG:C04491 xref: KEGG:D08097 xref: KNApSAcK:C00002376 is_a: CHEBI:38698 ! anthocyanin chlorides property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H31ClO15" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C27H30O15.ClH/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10;/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31);1H/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+;/m0./s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ADZHXBNWNZIHIX-XYGAWYNKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "630.97900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "630.13515" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cl-].C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:16793 name: mercury(2+) namespace: chebi_ontology alt_id: CHEBI:13370 alt_id: CHEBI:25199 alt_id: CHEBI:25200 alt_id: CHEBI:49640 alt_id: CHEBI:5714 subset: 3_STAR synonym: "Hg(2+)" RELATED [UniProt] synonym: "Hg(2+)" RELATED [IUPAC] synonym: "Hg2+" RELATED [KEGG_COMPOUND] synonym: "Mercuric ion" RELATED [KEGG_COMPOUND] synonym: "mercuric ion" RELATED [ChEBI] synonym: "MERCURY (II) ION" RELATED [PDBeChem] synonym: "mercury(2+)" EXACT IUPAC_NAME [IUPAC] synonym: "mercury(2+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "mercury(2+) ion" RELATED [ChEBI] synonym: "mercury(II)" RELATED [ChEBI] synonym: "mercury(II) cation" EXACT IUPAC_NAME [IUPAC] synonym: "mercury(II) cation" RELATED [ChEBI] xref: KEGG:C00703 xref: PDBeChem:HG xref: UM-BBD_compID:c0096 {source="UM-BBD"} is_a: CDNO:0000012 ! trace element property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Hg" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Hg/q+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BQPIGGFYSBELGY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "200.59000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "201.96955" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Hg++]" xsd:string [Term] id: CHEBI:16811 name: methionine namespace: chebi_ontology alt_id: CHEBI:14590 alt_id: CHEBI:25229 alt_id: CHEBI:6829 def: "A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4." [] subset: 3_STAR synonym: "2-amino-4-(methylsulfanyl)butanoic acid" RELATED [IUPAC] synonym: "2-amino-4-(methylthio)butanoic acid" RELATED [JCBN] synonym: "2-Amino-4-(methylthio)butyric acid" RELATED [KEGG_COMPOUND] synonym: "alpha-amino-gamma-methylmercaptobutyric acid" RELATED [NIST_Chemistry_WebBook] synonym: "DL-Methionine" RELATED [KEGG_DRUG] synonym: "Hmet" RELATED [IUPAC] synonym: "M" RELATED [ChEBI] synonym: "Met" RELATED [ChEBI] synonym: "Methionin" RELATED [ChEBI] synonym: "Methionine" EXACT [KEGG_COMPOUND] synonym: "methionine" EXACT IUPAC_NAME [IUPAC] synonym: "methionine" EXACT [ChEBI] synonym: "metionina" RELATED [ChEBI] synonym: "Racemethionine" RELATED [KEGG_DRUG] xref: Beilstein:636185 {source="Beilstein"} xref: CAS:59-51-8 {source="NIST Chemistry WebBook"} xref: CAS:59-51-8 {source="ChemIDplus"} xref: CAS:59-51-8 {source="KEGG COMPOUND"} xref: Gmelin:3117 {source="Gmelin"} xref: KEGG:C01733 xref: KEGG:D04983 xref: PMID:16702333 {source="Europe PMC"} xref: PMID:22264337 {source="Europe PMC"} xref: PMID:2543976 {source="Europe PMC"} xref: Reaxys:636185 {source="Reaxys"} xref: UM-BBD_compID:c0094 {source="UM-BBD"} xref: Wikipedia:Methionine is_a: CHEBI:33261 ! organosulfur compound is_a: CHEBI:33709 ! amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H11NO2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FFEARJCKVFRZRR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "149.21238" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "149.05105" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CSCCC(N)C(O)=O" xsd:string [Term] id: CHEBI:16856 name: glutathione namespace: chebi_ontology alt_id: CHEBI:12402 alt_id: CHEBI:14327 alt_id: CHEBI:24334 alt_id: CHEBI:42873 alt_id: CHEBI:43049 alt_id: CHEBI:5437 def: "A tripeptide compound consisting of glutamic acid attached via its side chain to the N-terminus of cysteinylglycine." [] subset: 3_STAR synonym: "5-L-Glutamyl-L-cysteinylglycine" RELATED [KEGG_COMPOUND] synonym: "gamma-L-Glutamyl-L-cysteinyl-glycine" RELATED [KEGG_COMPOUND] synonym: "Glutathione" EXACT [KEGG_COMPOUND] synonym: "Glutathione-SH" RELATED [HMDB] synonym: "GSH" RELATED [KEGG_COMPOUND] synonym: "L-gamma-glutamyl-L-cysteinylglycine" EXACT IUPAC_NAME [IUPAC] synonym: "N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine" RELATED [KEGG_COMPOUND] synonym: "Reduced glutathione" RELATED [KEGG_COMPOUND] xref: CAS:70-18-8 {source="ChemIDplus"} xref: CAS:70-18-8 {source="KEGG COMPOUND"} xref: Chemspider:111188 xref: Drug_Central:1312 {source="DrugCentral"} xref: DrugBank:DB00143 xref: FooDB:FDB001498 xref: HMDB:HMDB0000125 xref: KEGG:C00051 xref: KEGG:D00014 xref: KNApSAcK:C00001518 xref: MetaCyc:GLUTATHIONE xref: PDBeChem:GSH xref: PMID:10577998 {source="Europe PMC"} xref: PMID:1362956 {source="Europe PMC"} xref: PMID:14988435 {source="Europe PMC"} xref: PMID:16112416 {source="Europe PMC"} xref: PMID:16316931 {source="Europe PMC"} xref: PMID:16391576 {source="Europe PMC"} xref: PMID:16404476 {source="Europe PMC"} xref: PMID:16621738 {source="Europe PMC"} xref: PMID:16650398 {source="Europe PMC"} xref: PMID:16780237 {source="Europe PMC"} xref: PMID:16877380 {source="Europe PMC"} xref: PMID:17439666 {source="Europe PMC"} xref: PMID:19580823 {source="Europe PMC"} xref: PMID:4200890 {source="Europe PMC"} xref: PMID:4745654 {source="Europe PMC"} xref: PMID:8207209 {source="Europe PMC"} xref: Reaxys:1729812 {source="Reaxys"} xref: Wikipedia:Glutathione is_a: CHEBI:33261 ! organosulfur compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H17N3O6S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RWSXRVCMGQZWBV-WDSKDSINSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "307.320" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "307.08381" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O" xsd:string [Term] id: CHEBI:16914 name: salicylic acid namespace: chebi_ontology alt_id: CHEBI:26597 alt_id: CHEBI:45521 alt_id: CHEBI:9006 def: "A monohydroxybenzoic acid that is benzoic acid with a hydroxy group at the ortho position. It is obtained from the bark of the white willow and wintergreen leaves." [] subset: 3_STAR synonym: "2-carboxyphenol" RELATED [NIST_Chemistry_WebBook] synonym: "2-HYDROXYBENZOIC ACID" RELATED [PDBeChem] synonym: "2-hydroxybenzoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "o-carboxyphenol" RELATED [NIST_Chemistry_WebBook] synonym: "o-Hydroxybenzoic acid" RELATED [KEGG_COMPOUND] synonym: "o-hydroxybenzoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Salicylic acid" EXACT [KEGG_COMPOUND] xref: Beilstein:774890 {source="Beilstein"} xref: CAS:69-72-7 {source="ChemIDplus"} xref: CAS:69-72-7 {source="NIST Chemistry WebBook"} xref: CAS:69-72-7 {source="KEGG COMPOUND"} xref: Drug_Central:2416 {source="DrugCentral"} xref: DrugBank:DB00936 xref: Gmelin:3418 {source="Gmelin"} xref: HMDB:HMDB0001895 xref: KEGG:C00805 xref: KEGG:D00097 xref: KNApSAcK:C00000206 xref: LINCS:LSM-4763 xref: MetaCyc:CPD-110 xref: PDBeChem:SAL xref: PMID:11016405 {source="Europe PMC"} xref: PMID:12865403 {source="Europe PMC"} xref: PMID:1650428 {source="Europe PMC"} xref: PMID:19400653 {source="Europe PMC"} xref: PMID:19816125 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:29079364 {source="Europe PMC"} xref: PMID:32807953 {source="Europe PMC"} xref: PMID:3425858 {source="Europe PMC"} xref: Reaxys:774890 {source="Reaxys"} xref: Wikipedia:Salicylic_Acid is_a: CHEBI:24676 ! hydroxybenzoic acid is_a: CHEBI:64709 ! organic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H6O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YGSDEFSMJLZEOE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "138.12070" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "138.03169" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)c1ccccc1O" xsd:string [Term] id: CHEBI:16933 name: ergosterol namespace: chebi_ontology alt_id: CHEBI:14214 alt_id: CHEBI:23942 alt_id: CHEBI:42264 alt_id: CHEBI:4825 def: "A phytosterol consisting of ergostane having double bonds at the 5,6-, 7,8- and 22,23-positions as well as a 3beta-hydroxy group." [] subset: 3_STAR synonym: "(22E)-ergosta-5,7,22-trien-3beta-ol" EXACT IUPAC_NAME [IUPAC] synonym: "(22E,24S)-24-methylcholesta-5,7,22-trien-3beta-ol" RELATED [JCBN] synonym: "ERGOSTEROL" EXACT [PDBeChem] synonym: "Ergosterol" EXACT [KEGG_COMPOUND] synonym: "ergosterol" EXACT [UniProt] synonym: "Provitamin D2" RELATED [KEGG_COMPOUND] xref: Beilstein:2338604 {source="Beilstein"} xref: CAS:57-87-4 {source="KEGG COMPOUND"} xref: CAS:57-87-4 {source="NIST Chemistry WebBook"} xref: CAS:57-87-4 {source="ChemIDplus"} xref: DrugBank:DB04038 xref: KEGG:C01694 xref: KNApSAcK:C00003652 xref: KNApSAcK:C00023755 xref: LIPID_MAPS_instance:LMST01030093 {source="LIPID MAPS"} xref: PDBeChem:ERG xref: Reaxys:2338604 {source="Reaxys"} is_a: CHEBI:26125 ! phytosterol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C28H44O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,26-,27-,28+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DNVPQKQSNYMLRS-APGDWVJJSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "396.64836" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "396.33922" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)\\C=C\\[C@H](C)C(C)C" xsd:string [Term] id: CHEBI:16954 name: vitexin namespace: chebi_ontology alt_id: CHEBI:10012 alt_id: CHEBI:15315 alt_id: CHEBI:27308 def: "An apigenin flavone glycoside, which is found in the passion flower, bamboo leaves and pearl millet" [] subset: 3_STAR synonym: "(1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol" EXACT IUPAC_NAME [IUPAC] synonym: "Apigenin 8-C-glucoside" RELATED [KEGG_COMPOUND] synonym: "apigenin 8-C-glucoside" RELATED [IUBMB] synonym: "Vitexin" EXACT [KEGG_COMPOUND] xref: CAS:3681-93-4 {source="KEGG COMPOUND"} xref: CAS:3681-93-4 {source="ChemIDplus"} xref: KEGG:C01460 xref: KNApSAcK:C00001110 xref: LIPID_MAPS_instance:LMPK12110194 {source="LIPID MAPS"} xref: MetaCyc:VITEXIN xref: PMID:21809948 {source="Europe PMC"} xref: PMID:22408451 {source="Europe PMC"} xref: PMID:22683902 {source="Europe PMC"} xref: PMID:22941432 {source="Europe PMC"} xref: PMID:23099258 {source="Europe PMC"} xref: Reaxys:67796 {source="Reaxys"} xref: Wikipedia:Vitexin is_a: CHEBI:42491 ! flavone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H20O10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H20O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-6,14,17-19,21-25,27-29H,7H2/t14-,17-,18+,19-,21+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SGEWCQFRYRRZDC-VPRICQMDSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "432.37750" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "432.10565" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1" xsd:string [Term] id: CHEBI:16966 name: heteroglycan namespace: chebi_ontology alt_id: CHEBI:14394 alt_id: CHEBI:24534 alt_id: CHEBI:5688 def: "A polysaccharide composed of two or more different types of monosaccharides," [] subset: 3_STAR synonym: "Heteroglycan" EXACT [KEGG_COMPOUND] synonym: "heteroglycans" RELATED [ChEBI] synonym: "Heteropolysaccharide" RELATED [KEGG_COMPOUND] xref: KEGG:C01923 is_a: CDNO:0000031 ! gum [Term] id: CHEBI:16995 name: oxalic acid namespace: chebi_ontology alt_id: CHEBI:25730 alt_id: CHEBI:44583 alt_id: CHEBI:7811 def: "An alpha,omega-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2." [] subset: 3_STAR synonym: "Ethandisaeure" RELATED [ChEBI] synonym: "ethane-1,2-dioic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Ethanedioic acid" RELATED [KEGG_COMPOUND] synonym: "H2ox" RELATED [IUPAC] synonym: "HOOCCOOH" RELATED [NIST_Chemistry_WebBook] synonym: "OXALIC ACID" EXACT [PDBeChem] synonym: "Oxalic acid" EXACT [KEGG_COMPOUND] synonym: "oxalic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Oxalsaeure" RELATED [ChEBI] xref: Beilstein:385686 {source="Beilstein"} xref: CAS:144-62-7 {source="KEGG COMPOUND"} xref: CAS:144-62-7 {source="NIST Chemistry WebBook"} xref: CAS:144-62-7 {source="ChemIDplus"} xref: DrugBank:DB03902 xref: Gmelin:2208 {source="Gmelin"} xref: HMDB:HMDB0002329 xref: KEGG:C00209 xref: KNApSAcK:C00001198 xref: LIPID_MAPS_instance:LMFA01170031 {source="LIPID MAPS"} xref: MetaCyc:OXALATE xref: PDBeChem:OXD xref: PMID:15587083 {source="Europe PMC"} xref: PMID:22735334 {source="Europe PMC"} xref: Reaxys:385686 {source="Reaxys"} xref: Wikipedia:Oxalic_acid is_a: CHEBI:64709 ! organic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H2O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MUBZPKHOEPUJKR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "90.03490" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "89.99531" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)C(O)=O" xsd:string [Term] id: CHEBI:17015 name: riboflavin namespace: chebi_ontology alt_id: CHEBI:15044 alt_id: CHEBI:27299 alt_id: CHEBI:45214 alt_id: CHEBI:529204 alt_id: CHEBI:8843 def: "D-Ribitol in which the hydroxy group at position 5 is substituted by a 7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl moiety. It is a nutritional factor found in milk, eggs, malted barley, liver, kidney, heart, and leafy vegetables, but the richest natural source is yeast. The free form occurs only in the retina of the eye, in whey, and in urine; its principal forms in tissues and cells are as flavin mononucleotide and flavin-adenine dinucleotide." [] subset: 3_STAR synonym: "1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol" EXACT IUPAC_NAME [IUPAC] synonym: "1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentitol" RELATED [NIST_Chemistry_WebBook] synonym: "5-deoxy-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol" RELATED [ChEBI] synonym: "6,7-dimethyl-9-D-ribitylisoalloxazine" RELATED [ChemIDplus] synonym: "7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4(3H,10H)-dione" RELATED [ChEBI] synonym: "7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)isoalloxazine" RELATED [ChemIDplus] synonym: "7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4(3H,10H)-dione" RELATED [IUPAC] synonym: "7,8-dimethyl-10-ribitylisoalloxazine" RELATED [KEGG_COMPOUND] synonym: "Aqua-Flave" RELATED BRAND_NAME [ChemIDplus] synonym: "Beflavin" RELATED BRAND_NAME [ChemIDplus] synonym: "Beflavine" RELATED BRAND_NAME [ChemIDplus] synonym: "Bisulase" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Dermadram" RELATED BRAND_NAME [ChemIDplus] synonym: "E101" RELATED [ChEBI] synonym: "Fiboflavin" RELATED BRAND_NAME [ChemIDplus] synonym: "Flavaxin" RELATED BRAND_NAME [ChemIDplus] synonym: "Flavin Bb" RELATED BRAND_NAME [ChemIDplus] synonym: "Flaxain" RELATED BRAND_NAME [ChemIDplus] synonym: "Hyflavin" RELATED BRAND_NAME [ChemIDplus] synonym: "lactoflavin" RELATED [KEGG_COMPOUND] synonym: "riboflavin" RELATED INN [WHO_MedNet] synonym: "riboflavin (vit B2)" RELATED [DrugCentral] synonym: "riboflavina" RELATED INN [WHO_MedNet] synonym: "riboflavine" RELATED INN [WHO_MedNet] synonym: "riboflavinum" RELATED INN [WHO_MedNet] synonym: "Vitamin B2" RELATED [KEGG_COMPOUND] synonym: "vitamin B2" RELATED [ChEBI] synonym: "vitamin G" RELATED [DrugBank] synonym: "vitasan B2" RELATED [ChemIDplus] xref: Beilstein:97831 {source="Beilstein"} xref: CAS:83-88-5 {source="NIST Chemistry WebBook"} xref: CAS:83-88-5 {source="ChemIDplus"} xref: CAS:83-88-5 {source="KEGG COMPOUND"} xref: Chemspider:431981 xref: Drug_Central:2834 {source="DrugCentral"} xref: DrugBank:DB00140 xref: FooDB:FDB012160 xref: HMDB:HMDB0000244 xref: KEGG:C00255 xref: KEGG:D00050 xref: KNApSAcK:C00001552 xref: LINCS:LSM-4084 xref: MetaCyc:RIBOFLAVIN xref: Patent:US2807611 xref: Patent:US2876169 xref: PDBeChem:RBF xref: PMID:10566553 {source="Europe PMC"} xref: PMID:11399071 {source="Europe PMC"} xref: PMID:11606856 {source="Europe PMC"} xref: PMID:12083520 {source="Europe PMC"} xref: PMID:12354259 {source="Europe PMC"} xref: PMID:12927541 {source="Europe PMC"} xref: PMID:14963913 {source="Europe PMC"} xref: PMID:16273338 {source="Europe PMC"} xref: PMID:16460756 {source="Europe PMC"} xref: PMID:16658098 {source="Europe PMC"} xref: PMID:182198 {source="Europe PMC"} xref: PMID:18832377 {source="Europe PMC"} xref: PMID:19169240 {source="Europe PMC"} xref: PMID:19212411 {source="Europe PMC"} xref: PMID:19854891 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:2369885 {source="Europe PMC"} xref: PMID:23818044 {source="Europe PMC"} xref: PMID:24643482 {source="Europe PMC"} xref: PMID:24816110 {source="Europe PMC"} xref: PMID:25108762 {source="Europe PMC"} xref: PMID:25468971 {source="Europe PMC"} xref: PMID:25887755 {source="Europe PMC"} xref: PMID:2631092 {source="Europe PMC"} xref: PMID:29937405 {source="Europe PMC"} xref: PMID:3142982 {source="Europe PMC"} xref: PMID:33154451 {source="Europe PMC"} xref: PMID:33304888 {source="Europe PMC"} xref: PMID:33886098 {source="Europe PMC"} xref: PMID:33892358 {source="Europe PMC"} xref: PMID:34156642 {source="Europe PMC"} xref: PMID:3592624 {source="Europe PMC"} xref: PMID:3878498 {source="Europe PMC"} xref: PMID:4019261 {source="Europe PMC"} xref: PMID:6475825 {source="Europe PMC"} xref: PMID:6546833 {source="Europe PMC"} xref: PMID:6650303 {source="Europe PMC"} xref: PMID:7101408 {source="Europe PMC"} xref: PMID:7883462 {source="Europe PMC"} xref: PMID:8487103 {source="Europe PMC"} xref: PMID:8604671 {source="Europe PMC"} xref: PMID:8678471 {source="Europe PMC"} xref: PMID:8976642 {source="Europe PMC"} xref: PMID:9184778 {source="Europe PMC"} xref: PMID:9808225 {source="Europe PMC"} xref: PMID:9874201 {source="Europe PMC"} xref: Reaxys:97831 {source="Reaxys"} xref: Wikipedia:Riboflavin is_a: CHEBI:176838 ! vitamin B2 property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H20N4O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AUNGANRZJHBGPY-SCRDCRAPSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "376.369" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "376.13828" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1" xsd:string [Term] id: CHEBI:17020 name: glucomannan namespace: chebi_ontology alt_id: CHEBI:11105 alt_id: CHEBI:11106 alt_id: CHEBI:18834 alt_id: CHEBI:24263 alt_id: CHEBI:283 alt_id: CHEBI:5410 def: "A heteroglycan consisting of beta-(1->4)-linked D-glucose (G) and D-mannose (M) in a proportion of 5:8. The basic polymeric repeating unit has the pattern: GGMMGMMMMMGGM, with branching through beta-(1->3)- and beta-(1->6)-glucosyl linkages. Acetate groups are present on C-6 every 9-19 units of the main chain." [] subset: 3_STAR synonym: "(Glucomannan)n" RELATED [KEGG_COMPOUND] synonym: "(Glucomannan)n+1" RELATED [KEGG_COMPOUND] synonym: "Glucomannan" EXACT [KEGG_COMPOUND] synonym: "Glucomannoglycan" RELATED [KEGG_COMPOUND] xref: CAS:76081-94-2 {source="ChemIDplus"} xref: KEGG:C01810 xref: KEGG:C02101 xref: KEGG:G11598 xref: PMID:12356785 {source="Europe PMC"} xref: PMID:12569112 {source="Europe PMC"} xref: PMID:14983741 {source="Europe PMC"} xref: PMID:19108925 {source="Europe PMC"} xref: PMID:2840365 {source="Europe PMC"} xref: PMID:6096282 {source="Europe PMC"} xref: PMID:7872224 {source="Europe PMC"} xref: PMID:8365697 {source="Europe PMC"} xref: PMID:9742462 {source="Europe PMC"} xref: Reaxys:11315759 {source="Reaxys"} xref: Reaxys:8188346 {source="Reaxys"} is_a: CHEBI:61266 ! hemicellulose [Term] id: CHEBI:17051 name: fluoride namespace: chebi_ontology alt_id: CHEBI:14271 alt_id: CHEBI:49593 alt_id: CHEBI:5113 subset: 3_STAR synonym: "F(-)" RELATED [IUPAC] synonym: "F-" RELATED [KEGG_COMPOUND] synonym: "Fluoride" EXACT [KEGG_COMPOUND] synonym: "fluoride" EXACT [UniProt] synonym: "fluoride" EXACT IUPAC_NAME [IUPAC] synonym: "FLUORIDE ION" RELATED [PDBeChem] synonym: "Fluoride ion" RELATED [KEGG_COMPOUND] synonym: "fluoride(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "Fluorine anion" RELATED [NIST_Chemistry_WebBook] xref: CAS:16984-48-8 {source="NIST Chemistry WebBook"} xref: CAS:16984-48-8 {source="ChemIDplus"} xref: Gmelin:14905 {source="Gmelin"} xref: KEGG:C00742 xref: PDBeChem:F is_a: CDNO:0000024 ! dietary fluorine property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "F" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/FH/h1H/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KRHYYFGTRYWZRS-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "18.99840" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "18.99895" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[F-]" xsd:string [Term] id: CHEBI:17113 name: erythritol namespace: chebi_ontology alt_id: CHEBI:14215 alt_id: CHEBI:23946 alt_id: CHEBI:372804 alt_id: CHEBI:44263 alt_id: CHEBI:4840 def: "The meso-diastereomer of butane-1,2,3,4-tetrol." [] subset: 3_STAR synonym: "(2R,3S)-butane-1,2,3,4-tetrol" RELATED [IUPAC] synonym: "Erythrit" RELATED [NIST_Chemistry_WebBook] synonym: "Erythrite" RELATED [KEGG_COMPOUND] synonym: "Erythritol" EXACT [KEGG_COMPOUND] synonym: "erythritol" EXACT [UniProt] synonym: "erythro-tetritol" RELATED [IUPAC] synonym: "Erythrol" RELATED [KEGG_COMPOUND] synonym: "L-erythritol" RELATED [ChEBI] synonym: "MESO-ERYTHRITOL" RELATED [PDBeChem] synonym: "meso-erythritol" EXACT IUPAC_NAME [IUPAC] synonym: "mesoerythritol" RELATED [ChemIDplus] synonym: "Phycite" RELATED [KEGG_COMPOUND] synonym: "Phycitol" RELATED [KEGG_COMPOUND] xref: Beilstein:1719753 {source="Beilstein"} xref: CAS:149-32-6 {source="ChemIDplus"} xref: CAS:149-32-6 {source="NIST Chemistry WebBook"} xref: CAS:149-32-6 {source="KEGG COMPOUND"} xref: DrugBank:DB04481 xref: Gmelin:82499 {source="Gmelin"} xref: HMDB:HMDB0002994 xref: KEGG:C00503 xref: KNApSAcK:C00001161 xref: MetaCyc:ERYTHRITOL xref: PDBeChem:MRY xref: PMID:12639570 {source="ChEMBL"} xref: PMID:163226 {source="Europe PMC"} xref: PMID:16901854 {source="Europe PMC"} xref: PMID:17336832 {source="Europe PMC"} xref: PMID:17979222 {source="Europe PMC"} xref: PMID:18369603 {source="Europe PMC"} xref: PMID:19632091 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:23421980 {source="Europe PMC"} xref: PMID:23574577 {source="Europe PMC"} xref: PMID:23890177 {source="Europe PMC"} xref: PMID:24643482 {source="Europe PMC"} xref: PMID:25108762 {source="Europe PMC"} xref: PMID:9862657 {source="Europe PMC"} xref: Reaxys:1735878 {source="Reaxys"} xref: Wikipedia:Erythritol is_a: CHEBI:26191 ! polyol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H10O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UNXHWFMMPAWVPI-ZXZARUISSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "122.11980" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "122.05791" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H](O)[C@H](O)CO" xsd:string [Term] id: CHEBI:17151 name: xylitol namespace: chebi_ontology alt_id: CHEBI:10078 alt_id: CHEBI:15328 alt_id: CHEBI:253147 alt_id: CHEBI:27339 alt_id: CHEBI:46522 alt_id: CHEBI:60939 def: "A pentitol (five-carbon sugar alcohol) having meso-configuration, being derived from xylose by reduction of the carbonyl group." [] subset: 3_STAR synonym: "(2R,3R,4S)-Pentane-1,2,3,4,5-pentaol" RELATED [ChEMBL] synonym: "(2R,3r,4S)-pentane-1,2,3,4,5-pentol" EXACT IUPAC_NAME [IUPAC] synonym: "D-XYLITOL" RELATED [PDBeChem] synonym: "L-xylitol" RELATED [ChEBI] synonym: "meso-xylitol" EXACT IUPAC_NAME [IUPAC] synonym: "Xylit" RELATED [ChEBI] synonym: "xylite" RELATED [NIST_Chemistry_WebBook] synonym: "Xylitol" EXACT [KEGG_COMPOUND] synonym: "xylitol" EXACT [UniProt] xref: Beilstein:1720523 {source="ChemIDplus"} xref: CAS:87-99-0 {source="NIST Chemistry WebBook"} xref: CAS:87-99-0 {source="ChemIDplus"} xref: CAS:87-99-0 {source="KEGG COMPOUND"} xref: Drug_Central:4604 {source="DrugCentral"} xref: DrugBank:DB01904 xref: Gmelin:82893 {source="Gmelin"} xref: HMDB:HMDB0002917 xref: KEGG:C00379 xref: KEGG:D00061 xref: MetaCyc:XYLITOL xref: PDBeChem:XYL xref: PMID:11154411 {source="Europe PMC"} xref: PMID:11163479 {source="Europe PMC"} xref: PMID:12061879 {source="ChEMBL"} xref: PMID:15377394 {source="Europe PMC"} xref: PMID:16708791 {source="Europe PMC"} xref: PMID:16901854 {source="Europe PMC"} xref: PMID:17216457 {source="Europe PMC"} xref: PMID:17216458 {source="Europe PMC"} xref: PMID:17336832 {source="Europe PMC"} xref: PMID:17979222 {source="Europe PMC"} xref: PMID:18316079 {source="Europe PMC"} xref: PMID:20030329 {source="Europe PMC"} xref: PMID:22735334 {source="Europe PMC"} xref: PMID:22791282 {source="Europe PMC"} xref: PMID:23247825 {source="Europe PMC"} xref: PMID:23287496 {source="Europe PMC"} xref: PMID:23338824 {source="Europe PMC"} xref: PMID:23589387 {source="Europe PMC"} xref: PMID:23597921 {source="Europe PMC"} xref: PMID:23615861 {source="Europe PMC"} xref: PMID:23796483 {source="Europe PMC"} xref: PMID:23916161 {source="Europe PMC"} xref: PMID:23957303 {source="Europe PMC"} xref: PMID:24012734 {source="Europe PMC"} xref: PMID:24643482 {source="Europe PMC"} xref: PMID:25108762 {source="Europe PMC"} xref: Reaxys:1720523 {source="Reaxys"} xref: Wikipedia:Xylitol is_a: CHEBI:26191 ! polyol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H12O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HEBKCHPVOIAQTA-SCDXWVJYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "152.14580" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "152.06847" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H](O)[C@@H](O)[C@H](O)CO" xsd:string [Term] id: CHEBI:17164 name: stachyose namespace: chebi_ontology alt_id: CHEBI:15105 alt_id: CHEBI:26749 alt_id: CHEBI:9248 def: "A tetrasaccharide consisting of sucrose having an alpha-D-galactosyl-(1->6)-alpha-D-galactosyl moiety attached at the 6-position of the glucose." [] subset: 3_STAR synonym: "alpha-D-Galp-(1->6)-alpha-D-Galp-(1->6)-alpha-D-Glcp-(1<->2)-beta-D-Fruf" RELATED [JCBN] synonym: "beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "O-alpha-D-galactopyranosyl-(1->6)o-alpha-D-galactopyranosyl-(1->6)O-alpha-D-galactopyranosyl-beta-D-fructofuranoside" RELATED [ChEBI] synonym: "Stachyose" EXACT [KEGG_COMPOUND] synonym: "stachyose" EXACT [UniProt] xref: CAS:10094-58-3 {source="KEGG COMPOUND"} xref: CAS:470-55-3 {source="KEGG COMPOUND"} xref: CAS:470-55-3 {source="ChemIDplus"} xref: HMDB:HMDB0003553 xref: KEGG:C01613 xref: KEGG:G00278 xref: KNApSAcK:C00001150 xref: PMID:10334866 {source="Europe PMC"} xref: PMID:10652123 {source="Europe PMC"} xref: PMID:11789231 {source="Europe PMC"} xref: PMID:1255266 {source="Europe PMC"} xref: PMID:12801075 {source="Europe PMC"} xref: PMID:16656948 {source="Europe PMC"} xref: PMID:16658766 {source="Europe PMC"} xref: PMID:16666190 {source="Europe PMC"} xref: PMID:16668659 {source="Europe PMC"} xref: PMID:18970754 {source="Europe PMC"} xref: PMID:21421343 {source="Europe PMC"} xref: PMID:7524207 {source="Europe PMC"} xref: PMID:8479952 {source="Europe PMC"} xref: PMID:8528153 {source="Europe PMC"} xref: PMID:9629861 {source="Europe PMC"} xref: Reaxys:1445746 {source="Reaxys"} xref: Reaxys:1696669 {source="Reaxys"} xref: Reaxys:74246 {source="Reaxys"} xref: Wikipedia:Stachyose is_a: CHEBI:74961 ! raffinose family oligosaccharide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C24H42O21" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-11(29)15(33)18(36)22(42-8)40-4-9-12(30)16(34)19(37)23(43-9)45-24(5-27)20(38)13(31)7(2-26)44-24/h6-23,25-38H,1-5H2/t6-,7-,8-,9-,10+,11+,12-,13-,14+,15+,16+,17-,18-,19-,20+,21+,22+,23-,24+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UQZIYBXSHAGNOE-XNSRJBNMSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "666.57770" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "666.22186" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@H](O[C@]4(CO)O[C@H](CO)[C@@H](O)[C@@H]4O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:17234 name: glucose namespace: chebi_ontology alt_id: CHEBI:14313 alt_id: CHEBI:24277 alt_id: CHEBI:33929 alt_id: CHEBI:5418 def: "An aldohexose used as a source of energy and metabolic intermediate." [] subset: 3_STAR synonym: "DL-glucose" RELATED [ChEBI] synonym: "Glc" RELATED [JCBN] synonym: "gluco-hexose" EXACT IUPAC_NAME [IUPAC] synonym: "Glucose" EXACT [KEGG_COMPOUND] synonym: "glucose" EXACT IUPAC_NAME [IUPAC] synonym: "Glukose" RELATED [ChEBI] xref: CAS:50-99-7 {source="KEGG COMPOUND"} xref: KEGG:C00293 xref: Wikipedia:Glucose is_a: CDNO:0000004 ! free sugar is_a: CHEBI:35381 ! monosaccharide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "180.15588" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "180.06339" xsd:string [Term] id: CHEBI:17276 name: phloretin namespace: chebi_ontology alt_id: CHEBI:14787 alt_id: CHEBI:26014 alt_id: CHEBI:42649 alt_id: CHEBI:8111 def: "A member of the class of dihydrochalcones that is dihydrochalcone substituted by hydroxy groups at positions 4, 2', 4' and 6'." [] subset: 3_STAR synonym: "3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone" RELATED [ChEBI] synonym: "3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one" EXACT IUPAC_NAME [IUPAC] synonym: "Phloretin" EXACT [KEGG_COMPOUND] synonym: "phloretin" EXACT [UniProt] xref: CAS:60-82-2 {source="ChemIDplus"} xref: CAS:60-82-2 {source="KEGG COMPOUND"} xref: DrugBank:DB07810 xref: HMDB:HMDB0003306 xref: KEGG:C00774 xref: KNApSAcK:C00007936 xref: LINCS:LSM-6221 xref: LIPID_MAPS_instance:LMPK12120525 {source="LIPID MAPS"} xref: MetaCyc:PHLORETIN xref: Patent:CN102701938 xref: Patent:CN103230408 xref: PDBeChem:G50 xref: PMID:18767070 {source="Europe PMC"} xref: PMID:23907072 {source="Europe PMC"} xref: PMID:24487097 {source="Europe PMC"} xref: PMID:7126563 {source="Europe PMC"} xref: Reaxys:1887240 {source="Reaxys"} xref: Wikipedia:Phloretin is_a: CHEBI:71230 ! dihydrochalcones property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H14O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VGEREEWJJVICBM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "274.26866" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "274.08412" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1" xsd:string [Term] id: CHEBI:17306 name: maltose namespace: chebi_ontology alt_id: CHEBI:14568 alt_id: CHEBI:25144 alt_id: CHEBI:6668 def: "A glycosylglucose consisting of two D-glucopyranose units connected by an alpha-(1->4)-linkage." [] subset: 3_STAR synonym: "1-alpha-D-Glucopyranosyl-4-alpha-D-glucopyranose" RELATED [KEGG_COMPOUND] synonym: "4-(alpha-D-glucopyranosido)-alpha-glucopyranose" RELATED [NIST_Chemistry_WebBook] synonym: "4-(alpha-D-glucosido)-D-glucose" RELATED [NIST_Chemistry_WebBook] synonym: "4-O-alpha-D-glucopyranosyl-D-glucopyranose" RELATED [IUPAC] synonym: "4-O-alpha-D-glucopyranosyl-D-glucose" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-D-Glcp-(1->4)-D-Glcp" RELATED [IUPAC] synonym: "alpha-D-Glucopyranosyl-(1->4)-D-glucopyranose" RELATED [KEGG_COMPOUND] synonym: "alpha-D-glucopyranosyl-(1->4)-D-glucopyranose" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-D-glucopyranosyl-(1->4)-D-glucose" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-malt sugar" RELATED [NIST_Chemistry_WebBook] synonym: "Cextromaltose" RELATED [NIST_Chemistry_WebBook] synonym: "D-(+)-maltose" RELATED [ChemIDplus] synonym: "D-maltose" RELATED [UniProt] synonym: "D-maltose" RELATED [NIST_Chemistry_WebBook] synonym: "Malt sugar" RELATED [KEGG_COMPOUND] synonym: "maltobiose" RELATED [NIST_Chemistry_WebBook] synonym: "Maltose" EXACT [KEGG_COMPOUND] synonym: "Malzzucker" RELATED [ChEBI] xref: Beilstein:1292747 {source="Beilstein"} xref: CAS:69-79-4 {source="KEGG COMPOUND"} xref: CAS:69-79-4 {source="NIST Chemistry WebBook"} xref: CAS:69-79-4 {source="ChemIDplus"} xref: DrugBank:DB03323 xref: KEGG:C00208 xref: KEGG:D00044 xref: KEGG:G00275 xref: KNApSAcK:C00001140 xref: PMID:16332759 {source="Europe PMC"} xref: PMID:17723085 {source="Europe PMC"} xref: PMID:22094343 {source="Europe PMC"} xref: PMID:22185612 {source="Europe PMC"} xref: PMID:22246222 {source="Europe PMC"} xref: PMID:22252265 {source="Europe PMC"} xref: PMID:22411612 {source="Europe PMC"} xref: PMID:22424089 {source="Europe PMC"} xref: PMID:22451670 {source="Europe PMC"} xref: PMID:22469630 {source="Europe PMC"} xref: PMID:22529943 {source="Europe PMC"} xref: PMID:22573161 {source="Europe PMC"} xref: PMID:22669197 {source="Europe PMC"} xref: Reaxys:1292747 {source="Reaxys"} xref: Wikipedia:Maltose is_a: CDNO:0000004 ! free sugar is_a: CHEBI:36233 ! disaccharide is_a: CHEBI:50699 ! oligosaccharide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H22O11" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11?,12-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GUBGYTABKSRVRQ-PICCSMPSSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "342.29648" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "342.11621" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O" xsd:string [Term] id: CHEBI:17309 name: pectin namespace: chebi_ontology alt_id: CHEBI:14741 alt_id: CHEBI:26180 alt_id: CHEBI:7946 def: "Any mixture of complex, colloidal, macromolecular plant galacturonans containing a large proportion of D-galactopyranosyluronic acid residues in alpha-(1->4) linkage, the carboxy groups of which may be esterified to varying degrees by methyl groups or be partially or completely converted into salts. The structure shown is that of the parent polygalacturonan." [] subset: 3_STAR synonym: "pectic substance" RELATED [ChEBI] synonym: "Pectin" EXACT [KEGG_COMPOUND] synonym: "pectina" RELATED [ChEBI] synonym: "pectinas" RELATED [ChEBI] synonym: "pectine" RELATED [ChEBI] synonym: "pectines" RELATED [ChEBI] synonym: "pectins" RELATED [ChEBI] synonym: "Pektin" RELATED [ChEBI] synonym: "Pektine" RELATED [ChEBI] synonym: "Poly(1,4-alpha-D-galacturonide)" RELATED [KEGG_COMPOUND] synonym: "poly[(1->4)-alpha-D-GalpA]" RELATED [ChEBI] xref: CAS:9000-69-5 {source="ChemIDplus"} xref: CAS:9000-69-5 {source="KEGG COMPOUND"} xref: HMDB:HMDB0003402 xref: KEGG:C00714 xref: KEGG:D02316 xref: KEGG:G10591 xref: MetaCyc:PECTATE xref: PMID:10093966 {source="Europe PMC"} xref: PMID:17930085 {source="Europe PMC"} xref: PMID:24751282 {source="Europe PMC"} xref: PMID:24798790 {source="Europe PMC"} xref: PMID:7446458 {source="Europe PMC"} xref: PMID:7960137 {source="Europe PMC"} xref: PMID:890983 {source="Europe PMC"} xref: Reaxys:8539058 {source="Reaxys"} xref: Wikipedia:Pectin is_a: CDNO:0000006 ! soluble dietary fibre is_a: CHEBI:18154 ! polysaccharide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H2O(C6H8O6)n" xsd:string [Term] id: CHEBI:17336 name: all-trans-retinol namespace: chebi_ontology alt_id: CHEBI:12783 alt_id: CHEBI:22349 alt_id: CHEBI:8816 def: "A retinol in which all four exocyclic double bonds have E- (trans-) geometry." [] subset: 3_STAR synonym: "(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol" RELATED [IUPAC] synonym: "(all-E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol" RELATED [HMDB] synonym: "all-trans retinol" RELATED [ChemIDplus] synonym: "all-trans-Retinol" EXACT [KEGG_COMPOUND] synonym: "all-trans-retinol" EXACT [UniProt] synonym: "all-trans-retinol" EXACT IUPAC_NAME [IUPAC] synonym: "all-trans-retinyl alcohol" RELATED [ChemIDplus] synonym: "all-trans-vitamin A" RELATED [ChemIDplus] synonym: "all-trans-vitamin A alcohol" RELATED [NIST_Chemistry_WebBook] synonym: "Alphalin" RELATED BRAND_NAME [ChemIDplus] synonym: "Aquasol A" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Chocola A" RELATED BRAND_NAME [ChemIDplus] synonym: "retinol" RELATED INN [WHO_MedNet] synonym: "retinol (vit A)" RELATED [DrugCentral] synonym: "retinolum" RELATED INN [WHO_MedNet] synonym: "trans-retinol" RELATED [HMDB] synonym: "vitamin A" RELATED [KEGG_COMPOUND] synonym: "vitamin A alcohol" RELATED [ChemIDplus] synonym: "Vitamin A1" RELATED [KEGG_COMPOUND] synonym: "vitamin A1" RELATED [ChEBI] synonym: "vitamin A1 alcohol" RELATED [ChemIDplus] xref: Beilstein:403040 {source="Beilstein"} xref: CAS:11103-57-4 {source="ChemIDplus"} xref: CAS:68-26-8 {source="KEGG COMPOUND"} xref: CAS:68-26-8 {source="ChemIDplus"} xref: CAS:68-26-8 {source="NIST Chemistry WebBook"} xref: Chemspider:393012 xref: Drug_Central:2831 {source="DrugCentral"} xref: DrugBank:DB00162 xref: Gmelin:247497 {source="Gmelin"} xref: HMDB:HMDB0000305 xref: KEGG:C00473 xref: KEGG:C17276 xref: KEGG:D00069 xref: KEGG:D06543 xref: KNApSAcK:C00031437 xref: LIPID_MAPS_instance:LMPR01090001 {source="LIPID MAPS"} xref: MetaCyc:CPD-13524 xref: PDBeChem:RTL xref: PMID:10637381 {source="Europe PMC"} xref: PMID:12074187 {source="Europe PMC"} xref: PMID:12221269 {source="Europe PMC"} xref: PMID:12229281 {source="Europe PMC"} xref: PMID:12548314 {source="Europe PMC"} xref: PMID:12600856 {source="Europe PMC"} xref: PMID:1414975 {source="Europe PMC"} xref: PMID:15041701 {source="Europe PMC"} xref: PMID:15051608 {source="Europe PMC"} xref: PMID:15531678 {source="Europe PMC"} xref: PMID:15622799 {source="Europe PMC"} xref: PMID:15929633 {source="Europe PMC"} xref: PMID:16469975 {source="Europe PMC"} xref: PMID:16507353 {source="Europe PMC"} xref: PMID:16825693 {source="Europe PMC"} xref: PMID:17790232 {source="Europe PMC"} xref: PMID:19264891 {source="Europe PMC"} xref: PMID:20697621 {source="Europe PMC"} xref: PMID:2217163 {source="Europe PMC"} xref: PMID:22444309 {source="Europe PMC"} xref: PMID:2295828 {source="Europe PMC"} xref: PMID:25478840 {source="Europe PMC"} xref: PMID:30510477 {source="Europe PMC"} xref: PMID:31484771 {source="Europe PMC"} xref: PMID:7971717 {source="Europe PMC"} xref: PMID:8464067 {source="Europe PMC"} xref: PMID:8496140 {source="Europe PMC"} xref: PMID:9155646 {source="Europe PMC"} xref: PMID:9736606 {source="Europe PMC"} xref: Wikipedia:Retinol is_a: CHEBI:12777 ! vitamin A property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H30O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FPIPGXGPPPQFEQ-OVSJKPMPSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "286.459" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "286.22967" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C\\C(=C/CO)\\C=C\\C=C(/C)\\C=C\\C1=C(C)CCCC1(C)C" xsd:string [Term] id: CHEBI:17351 name: linoleic acid namespace: chebi_ontology alt_id: CHEBI:25047 alt_id: CHEBI:42395 alt_id: CHEBI:6479 def: "An octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have Z (cis) stereochemistry." [] subset: 3_STAR synonym: "(9Z,12Z)-octadeca-9,12-dienoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(9Z,12Z)-Octadecadienoic acid" RELATED [KEGG_COMPOUND] synonym: "(Z,Z)-9,12-octadecadienoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "9-cis,12-cis-Octadecadienoic acid" RELATED [KEGG_COMPOUND] synonym: "9Z,12Z-octadecadienoic acid" RELATED [LIPID_MAPS] synonym: "acide cis-linoleique" RELATED [ChEBI] synonym: "acide linoleique" RELATED [ChEBI] synonym: "acido linoleico" RELATED [ChEBI] synonym: "all-cis-9,12-octadecadienoic acid" RELATED [ChEBI] synonym: "C18:2 9c, 12c omega6 todos cis-9,12-octadienoico" RELATED [ChEBI] synonym: "C18:2, n-6,9 all-cis" RELATED [ChEBI] synonym: "cis,cis-9,12-octadecadienoic acid" RELATED [ChEBI] synonym: "cis,cis-linoleic acid" RELATED [ChEBI] synonym: "cis,cis-linoleic acid" RELATED [NIST_Chemistry_WebBook] synonym: "cis-Delta(9,12)-octadecadienoic acid" RELATED [ChemIDplus] synonym: "LA" RELATED [ChEBI] synonym: "LINOLEIC ACID" EXACT [PDBeChem] synonym: "Linoleic acid" EXACT [KEGG_COMPOUND] synonym: "linolic acid" RELATED [ChEBI] xref: Beilstein:1727101 {source="Beilstein"} xref: CAS:60-33-3 {source="KEGG COMPOUND"} xref: CAS:60-33-3 {source="NIST Chemistry WebBook"} xref: CAS:60-33-3 {source="ChemIDplus"} xref: Drug_Central:3323 {source="DrugCentral"} xref: Gmelin:57557 {source="Gmelin"} xref: HMDB:HMDB0000673 xref: KEGG:C01595 xref: KNApSAcK:C00001224 xref: LIPID_MAPS_instance:LMFA01030120 {source="LIPID MAPS"} xref: MetaCyc:LINOLEIC_ACID xref: PDBeChem:EIC xref: PMID:11113630 {source="Europe PMC"} xref: PMID:11304127 {source="Europe PMC"} xref: PMID:11322990 {source="Europe PMC"} xref: PMID:14667063 {source="Europe PMC"} xref: PMID:14993245 {source="Europe PMC"} xref: PMID:15115315 {source="Europe PMC"} xref: PMID:15642793 {source="Europe PMC"} xref: PMID:15969511 {source="Europe PMC"} xref: PMID:16254037 {source="Europe PMC"} xref: PMID:16563718 {source="Europe PMC"} xref: PMID:17647039 {source="Europe PMC"} xref: PMID:18044828 {source="Europe PMC"} xref: PMID:18990554 {source="Europe PMC"} xref: PMID:19628674 {source="Europe PMC"} xref: PMID:19936816 {source="Europe PMC"} xref: PMID:23900039 {source="Europe PMC"} xref: PMID:24081493 {source="Europe PMC"} xref: PMID:6205897 {source="Europe PMC"} xref: Reaxys:1727101 {source="Reaxys"} xref: Wikipedia:Linoleic_acid is_a: CHEBI:36009 ! ω−6 fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H32O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OYHQOLUKZRVURQ-HZJYTTRNSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "280.44550" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "280.24023" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCC\\C=C/C\\C=C/CCCCCCCC(O)=O" xsd:string [Term] id: CHEBI:17359 name: sulfite namespace: chebi_ontology alt_id: CHEBI:15139 alt_id: CHEBI:45548 def: "A sulfur oxoanion that is the conjugate base of hydrogen sulfite (H2SO3)." [] subset: 3_STAR synonym: "[SO3](2-)" RELATED [IUPAC] synonym: "SO3" RELATED [ChEBI] synonym: "SO3(2-)" RELATED [IUPAC] synonym: "sulfite" EXACT IUPAC_NAME [IUPAC] synonym: "sulfite" EXACT [UniProt] synonym: "SULFITE ION" RELATED [PDBeChem] synonym: "sulphite" RELATED [ChEBI] synonym: "trioxidosulfate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "trioxosulfate(2-)" EXACT IUPAC_NAME [IUPAC] synonym: "trioxosulfate(IV)" EXACT IUPAC_NAME [IUPAC] xref: CAS:14265-45-3 {source="ChemIDplus"} xref: Gmelin:1449 {source="Gmelin"} xref: PDBeChem:SO3 is_a: CDNO:0000021 ! dietary sulfur property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LSNNMFCWUKXFEE-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "80.06420" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "79.95791" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]S([O-])=O" xsd:string [Term] id: CHEBI:17401 name: myo-inositol hexakisphosphate namespace: chebi_ontology alt_id: CHEBI:10603 alt_id: CHEBI:11366 alt_id: CHEBI:12829 alt_id: CHEBI:12832 alt_id: CHEBI:19200 def: "A myo-inositol hexakisphosphate in which each hydroxy group of myo-inositol is monophosphorylated." [] subset: 3_STAR synonym: "1D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate" RELATED [KEGG_COMPOUND] synonym: "1D-myo-Inositol hexakisphosphate" RELATED [KEGG_COMPOUND] synonym: "acide fytique" RELATED INN [ChemIDplus] synonym: "acido fitico" RELATED INN [ChemIDplus] synonym: "acidum fyticum" RELATED INN [ChemIDplus] synonym: "D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate" RELATED [KEGG_COMPOUND] synonym: "Inosithexaphosphorsaeure" RELATED [ChemIDplus] synonym: "myo-inositol 1,2,3,4,5,6-hexakisphosphate" RELATED [ChEBI] synonym: "myo-inositol hexakis(dihydrogen phosphate)" EXACT IUPAC_NAME [IUPAC] synonym: "myo-Inositol hexakisphosphate" EXACT [KEGG_COMPOUND] synonym: "Phytate" RELATED [KEGG_COMPOUND] synonym: "phytate" EXACT [] synonym: "Phytic acid" RELATED [KEGG_COMPOUND] synonym: "phytic acid" RELATED [] synonym: "Phytine" RELATED [ChemIDplus] synonym: "Saeure des phytins" RELATED [ChemIDplus] xref: Beilstein:2201952 {source="Beilstein"} xref: CAS:83-86-3 {source="ChemIDplus"} xref: Drug_Central:3465 {source="DrugCentral"} xref: KEGG:C01204 xref: MetaCyc:HEXAKISPHOSPHATE xref: PMID:11217149 {source="Europe PMC"} xref: PMID:11545369 {source="Europe PMC"} xref: PMID:12070948 {source="Europe PMC"} xref: PMID:12162428 {source="Europe PMC"} xref: PMID:12816787 {source="Europe PMC"} xref: PMID:12949395 {source="Europe PMC"} xref: PMID:15325752 {source="Europe PMC"} xref: PMID:15743020 {source="Europe PMC"} xref: PMID:15918884 {source="Europe PMC"} xref: PMID:15952339 {source="Europe PMC"} xref: PMID:15998131 {source="Europe PMC"} xref: PMID:16438310 {source="Europe PMC"} xref: PMID:17162330 {source="Europe PMC"} xref: PMID:18536177 {source="Europe PMC"} xref: PMID:19331859 {source="Europe PMC"} xref: PMID:21292245 {source="Europe PMC"} xref: PMID:22023391 {source="Europe PMC"} xref: PMID:6095072 {source="Europe PMC"} xref: Reaxys:2201952 {source="Reaxys"} xref: Wikipedia:Phytic_acid is_a: CHEBI:190516 ! organic phosphate compound is_a: CHEBI:64709 ! organic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H18O24P6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IMQLKJBTEOYOSI-GPIVLXJGSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "660.03529" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "659.86137" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OP(O)(=O)O[C@@H]1[C@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O" xsd:string [Term] id: CHEBI:17439 name: cyanocob(III)alamin namespace: chebi_ontology alt_id: CHEBI:14041 alt_id: CHEBI:23435 alt_id: CHEBI:3979 alt_id: CHEBI:48820 alt_id: CHEBI:60496 def: "A complex cob(III)alamin in which cobalt is positioned in the centre of a planar corrin tetrapyrrole ring and bound axially to a 5,6-dimethylbenzimidazole moiety and a cyano group. It is one of several forms of the vitamin known as vitamin B12." [] subset: 3_STAR synonym: "CN-Cbl" RELATED [CBN] synonym: "CO-CYANOCOBALAMIN" RELATED [PDBeChem] synonym: "Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-cyanocobamide" EXACT IUPAC_NAME [IUPAC] synonym: "Cyanocob(III)alamin" EXACT [KEGG_COMPOUND] synonym: "cyanocob(III)alamin" EXACT [UniProt] synonym: "cyanocob(III)alamin" EXACT IUPAC_NAME [IUPAC] synonym: "cyanocobalamin" RELATED INN [KEGG_DRUG] synonym: "cyanocobalamin (b12)" RELATED [] synonym: "Dicopac" RELATED [KEGG_COMPOUND] synonym: "vitamin B-12" RELATED [CBN] synonym: "Vitamin B12 complex" RELATED [KEGG_COMPOUND] xref: CAS:68-19-9 {source="ChemIDplus"} xref: CAS:68-19-9 {source="KEGG COMPOUND"} xref: DrugBank:DB00115 xref: Gmelin:249901 {source="Gmelin"} xref: Gmelin:457955 {source="Gmelin"} xref: KEGG:C02823 xref: KEGG:D00166 xref: KNApSAcK:C00001534 xref: PDBeChem:CNC xref: PMID:29286160 {source="Europe PMC"} is_a: CHEBI:176843 ! vitamin B12 property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C63H88CoN14O14P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C62H90N13O14P.CN.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RMRCNWBMXRMIRW-WZHZPDAFSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "1355.36520" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "1354.56740" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]1(C)CNC(=O)CC[C@]2(C)[C@@H](CC(N)=O)[C@@]3([H])N4C2=C(C)C2=[N+]5C(=CC6=[N+]7C(=C(C)C8=[N+]([C@]3(C)[C@@](C)(CC(N)=O)[C@@H]8CCC(N)=O)[Co-3]457(C#N)[n+]3cn([C@H]4O[C@H](CO)[C@@H](OP([O-])(=O)O1)[C@H]4O)c1cc(C)c(C)cc31)[C@@](C)(CC(N)=O)[C@@H]6CCC(N)=O)C(C)(C)[C@@H]2CCC(N)=O" xsd:string [Term] id: CHEBI:17488 name: scopoletin namespace: chebi_ontology alt_id: CHEBI:15067 alt_id: CHEBI:210840 alt_id: CHEBI:26611 alt_id: CHEBI:9057 def: "A hydroxycoumarin that is umbelliferone bearing a methoxy substituent at position 6." [] subset: 3_STAR synonym: "6-Methoxy-7-hydroxycoumarin" RELATED [ChemIDplus] synonym: "6-Methylesculetin" RELATED [ChemIDplus] synonym: "6-O-Methylesculetin" RELATED [ChemIDplus] synonym: "7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one" RELATED [ChemIDplus] synonym: "7-hydroxy-6-methoxy-2H-chromen-2-one" EXACT IUPAC_NAME [IUPAC] synonym: "7-hydroxy-6-methoxycoumarin" RELATED [ChEBI] synonym: "Scopoletin" EXACT [KEGG_COMPOUND] synonym: "scopoletin" EXACT [UniProt] xref: CAS:92-61-5 {source="KEGG COMPOUND"} xref: CAS:92-61-5 {source="ChemIDplus"} xref: KEGG:C01752 xref: KNApSAcK:C00002499 xref: LINCS:LSM-6694 xref: PMID:20686865 {source="Europe PMC"} xref: PMID:21078410 {source="Europe PMC"} xref: PMID:21163341 {source="Europe PMC"} xref: PMID:21383663 {source="Europe PMC"} xref: PMID:21417386 {source="Europe PMC"} xref: PMID:21544717 {source="Europe PMC"} xref: PMID:21598418 {source="Europe PMC"} xref: PMID:21604276 {source="Europe PMC"} xref: PMID:21605187 {source="Europe PMC"} xref: PMID:21657075 {source="Europe PMC"} xref: PMID:21751840 {source="Europe PMC"} xref: Reaxys:156296 {source="Reaxys"} is_a: CHEBI:24689 ! hydroxycinnamic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H8O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RODXRVNMMDRFIK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "192.16810" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "192.04226" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cc2ccc(=O)oc2cc1O" xsd:string [Term] id: CHEBI:17522 name: alditol namespace: chebi_ontology alt_id: CHEBI:13754 alt_id: CHEBI:22298 alt_id: CHEBI:2556 def: "A carbohydrate that is an acyclic polyol having the general formula HOCH2[CH(OH)]nCH2OH (formally derivable from an aldose by reduction of the carbonyl group)." [] subset: 3_STAR synonym: "Alditol" EXACT [KEGG_COMPOUND] synonym: "alditol" EXACT [UniProt] synonym: "alditols" RELATED [ChEBI] synonym: "Glycitol" RELATED [KEGG_COMPOUND] synonym: "Sugar alcohol" RELATED [KEGG_COMPOUND] xref: KEGG:C00717 xref: Wikipedia:Glycerin is_a: CHEBI:26191 ! polyol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "(CH2O)nC2H6O2" xsd:string [Term] id: CHEBI:17535 name: L-arabinopyranose namespace: chebi_ontology alt_id: CHEBI:21232 alt_id: CHEBI:6181 def: "The six-membered ring form of L-arabinose." [] subset: 3_STAR synonym: "L-Arabinopyranose" EXACT [KEGG_COMPOUND] synonym: "L-arabinopyranose" EXACT IUPAC_NAME [IUPAC] synonym: "L-Arabinose" RELATED [KEGG_COMPOUND] synonym: "L-arabinose" RELATED [UniProt] synonym: "WURCS=2.0/1,1,0/[a211h-1x_1-5]/1/" RELATED [GlyTouCan] xref: Beilstein:1680037 {source="Beilstein"} xref: CAS:87-72-9 {source="ChemIDplus"} xref: GlyGen:G88980IR xref: GlyTouCan:G88980IR xref: Gmelin:82843 {source="Gmelin"} xref: KEGG:C00259 xref: PMID:1177062 {source="Europe PMC"} xref: PMID:17336832 {source="Europe PMC"} xref: PMID:19913595 {source="Europe PMC"} xref: PMID:28785254 {source="Europe PMC"} xref: Reaxys:1680037 {source="Reaxys"} is_a: CHEBI:22599 ! arabinose property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5?/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SRBFZHDQGSBBOR-HWQSCIPKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "150.12990" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "150.05282" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[C@H]1COC(O)[C@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:17548 name: alginic acid namespace: chebi_ontology alt_id: CHEBI:11097 alt_id: CHEBI:18823 alt_id: CHEBI:22308 alt_id: CHEBI:271 def: "A linear copolymer macromolecule composed of homopolymeric blocks of 1->4-linked beta-D-mannuronic acid and alpha-L-guluronic acid residues, covalently linked together in different sequences or blocks." [] subset: 3_STAR synonym: "(Alginate)n" RELATED [KEGG_COMPOUND] synonym: "(Alginate)n+1" RELATED [KEGG_COMPOUND] synonym: "Alginate" RELATED [KEGG_COMPOUND] synonym: "Alginic acid" EXACT [KEGG_COMPOUND] synonym: "alginic acid" RELATED INN [ChemIDplus] synonym: "Norgine" RELATED [ChemIDplus] xref: Beilstein:8192143 {source="Beilstein"} xref: CAS:9005-32-7 {source="KEGG COMPOUND"} xref: CAS:9005-32-7 {source="KEGG DRUG"} xref: CAS:9005-32-7 {source="ChemIDplus"} xref: KEGG:C01768 xref: KEGG:D02324 xref: KEGG:G10593 xref: PMID:25449544 {source="Europe PMC"} xref: Wikipedia:Alginic_acid is_a: CHEBI:16966 ! heteroglycan property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "(C12H16O13)n" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "(C6H8O6)n.H2O" xsd:string [Term] id: CHEBI:17579 name: beta-carotene name: β-carotene namespace: chebi_ontology alt_id: CHEBI:10355 alt_id: CHEBI:12392 alt_id: CHEBI:22834 alt_id: CHEBI:40987 def: "A cyclic carotene obtained by dimerisation of all-trans-retinol. A strongly-coloured red-orange pigment abundant in plants and fruit and the most active and important provitamin A carotenoid." [] subset: 3_STAR synonym: "1,1'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl]bis(2,6,6-trimethylcyclohexene)" RELATED [ChEBI] synonym: "all-trans-beta-carotene" RELATED [NIST_Chemistry_WebBook] synonym: "all-trans-beta-carotene" RELATED [UniProt] synonym: "beta,beta-carotene" EXACT IUPAC_NAME [IUPAC] synonym: "BETA-CAROTENE" EXACT [PDBeChem] synonym: "beta-Carotene" EXACT [KEGG_COMPOUND] synonym: "beta-carotene" EXACT [] synonym: "beta-Karotin" RELATED [ChEBI] xref: Beilstein:1917416 {source="Beilstein"} xref: CAS:7235-40-7 {source="ChemIDplus"} xref: CAS:7235-40-7 {source="NIST Chemistry WebBook"} xref: CAS:7235-40-7 {source="KEGG COMPOUND"} xref: COMe:MOL000093 xref: Drug_Central:345 {source="DrugCentral"} xref: HMDB:HMDB0000561 xref: KEGG:C02094 xref: KEGG:D03101 xref: KNApSAcK:C00000919 xref: LIPID_MAPS_instance:LMPR01070000 {source="LIPID MAPS"} xref: LIPID_MAPS_instance:LMPR01070001 {source="LIPID MAPS"} xref: MetaCyc:CPD1F-129 xref: PDBeChem:BCR xref: PMID:11171227 {source="Europe PMC"} xref: PMID:11182771 {source="Europe PMC"} xref: PMID:11332447 {source="Europe PMC"} xref: PMID:11359610 {source="Europe PMC"} xref: PMID:11382814 {source="Europe PMC"} xref: PMID:11567548 {source="Europe PMC"} xref: PMID:11677037 {source="Europe PMC"} xref: PMID:11714348 {source="Europe PMC"} xref: PMID:11962062 {source="Europe PMC"} xref: PMID:12081834 {source="Europe PMC"} xref: PMID:12891827 {source="Europe PMC"} xref: PMID:14658721 {source="Europe PMC"} xref: PMID:14764912 {source="Europe PMC"} xref: PMID:14976384 {source="Europe PMC"} xref: PMID:14997360 {source="Europe PMC"} xref: PMID:15113067 {source="Europe PMC"} xref: PMID:15333155 {source="Europe PMC"} xref: PMID:15695449 {source="Europe PMC"} xref: PMID:15789045 {source="Europe PMC"} xref: PMID:15909543 {source="Europe PMC"} xref: PMID:15949680 {source="Europe PMC"} xref: PMID:15949683 {source="Europe PMC"} xref: PMID:16036331 {source="Europe PMC"} xref: PMID:16087476 {source="Europe PMC"} xref: PMID:16338959 {source="Europe PMC"} xref: PMID:16563447 {source="Europe PMC"} xref: PMID:17004738 {source="Europe PMC"} xref: PMID:17625873 {source="Europe PMC"} xref: PMID:17708644 {source="Europe PMC"} xref: PMID:17851775 {source="Europe PMC"} xref: PMID:18429004 {source="Europe PMC"} xref: PMID:18766464 {source="Europe PMC"} xref: PMID:18767554 {source="Europe PMC"} xref: PMID:18794175 {source="Europe PMC"} xref: PMID:19480350 {source="Europe PMC"} xref: PMID:19574250 {source="Europe PMC"} xref: PMID:19669835 {source="Europe PMC"} xref: PMID:19703237 {source="Europe PMC"} xref: PMID:19852884 {source="Europe PMC"} xref: PMID:19888275 {source="Europe PMC"} xref: PMID:19896667 {source="Europe PMC"} xref: PMID:19937581 {source="Europe PMC"} xref: PMID:20074992 {source="Europe PMC"} xref: PMID:20515074 {source="Europe PMC"} xref: PMID:22079732 {source="Europe PMC"} xref: PMID:22309480 {source="Europe PMC"} xref: PMID:22428124 {source="Europe PMC"} xref: PMID:22489215 {source="Europe PMC"} xref: PMID:22534340 {source="Europe PMC"} xref: PMID:22575730 {source="Europe PMC"} xref: Reaxys:1917416 {source="Reaxys"} xref: Wikipedia:Beta_Carotene is_a: CHEBI:23044 ! carotenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C40H56" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OENHQHLEOONYIE-JLTXGRSLSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "536.87264" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "536.43820" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(\\C=C\\C=C(C)\\C=C\\C1=C(C)CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C" xsd:string [Term] id: CHEBI:17620 name: ferulic acid namespace: chebi_ontology alt_id: CHEBI:14260 alt_id: CHEBI:24030 alt_id: CHEBI:42445 alt_id: CHEBI:5046 def: "A ferulic acid consisting of trans-cinnamic acid bearing methoxy and hydroxy substituents at positions 3 and 4 respectively on the phenyl ring." [] subset: 3_STAR synonym: "(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(E)-4'-hydroxy-3'-methoxycinnamic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(E)-4-Hydroxy-3-methoxycinnamic acid" RELATED [HMDB] synonym: "(E)-Ferulic acid" RELATED [ChemIDplus] synonym: "3-(4-Hydroxy-3-methoxyphenyl)propenoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "3-methoxy-4-hydroxy-trans-cinnamic acid" RELATED [ChEBI] synonym: "4-Hydroxy-3-methoxycinnamic acid" RELATED [KEGG_COMPOUND] synonym: "4-hydroxy-3-methoxycinnamic acid" RELATED [ChEBI] synonym: "Ferulic acid" EXACT [KEGG_COMPOUND] synonym: "trans-4-Hydroxy-3-methoxycinnamic acid" RELATED [ChemIDplus] synonym: "trans-Ferulic acid" RELATED [ChemIDplus] xref: CAS:1135-24-6 {source="ChemIDplus"} xref: CAS:1135-24-6 {source="KEGG COMPOUND"} xref: CAS:537-98-4 {source="NIST Chemistry WebBook"} xref: CAS:537-98-4 {source="ChemIDplus"} xref: CAS:537-98-4 {source="KEGG COMPOUND"} xref: HMDB:HMDB0000954 xref: KEGG:C01494 xref: KNApSAcK:C00002743 xref: MetaCyc:FERULIC-ACID xref: PDBeChem:FER xref: PMID:11041377 {source="Europe PMC"} xref: PMID:11982438 {source="Europe PMC"} xref: PMID:12529986 {source="Europe PMC"} xref: PMID:15162367 {source="Europe PMC"} xref: PMID:15309442 {source="Europe PMC"} xref: PMID:16011737 {source="Europe PMC"} xref: PMID:16185284 {source="Europe PMC"} xref: PMID:18582080 {source="Europe PMC"} xref: PMID:18651237 {source="Europe PMC"} xref: PMID:18707110 {source="Europe PMC"} xref: PMID:18795822 {source="Europe PMC"} xref: PMID:19594750 {source="Europe PMC"} xref: PMID:8821508 {source="Europe PMC"} xref: Reaxys:1570363 {source="Reaxys"} xref: Wikipedia:Ferulic_Acid is_a: CHEBI:24689 ! hydroxycinnamic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H10O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KSEBMYQBYZTDHS-HWKANZROSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "194.18400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "194.05791" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cc(\\C=C\\C(O)=O)ccc1O" xsd:string [Term] id: CHEBI:176783 name: vitamin C namespace: chebi_ontology alt_id: CHEBI:21241 def: "Any member of a group of vitamers that belong to the chemical structural class called butenolides that exhibit biological activity against vitamin C deficiency in animals. The vitamers include L-ascorbic acid and its salt, ionized and oxidized forms." [] subset: 3_STAR synonym: "Vitamin C" EXACT [ChEBI] synonym: "vitamin C vitamer" RELATED [ChEBI] synonym: "vitamin C vitamers" RELATED [ChEBI] synonym: "vitamina C" RELATED [ChEBI] synonym: "vitamine C" RELATED [ChEBI] synonym: "vitaminum C" RELATED [ChEBI] xref: PMCID:PMC8088531 {source="Europe PMC"} xref: PMID:21885436 {source="Europe PMC"} xref: PMID:33916257 {source="Europe PMC"} xref: PMID:34064549 {source="Europe PMC"} xref: Wikipedia:Vitamin_C is_a: CDNO:0000014 ! vitamin (molecular entity) [Term] id: CHEBI:176838 name: vitamin B2 namespace: chebi_ontology def: "Any member of a group of vitamers that belong to the chemical structural class called flavins that exhibit biological activity against vitamin B2 deficiency. Symptoms associated with vitamin B2 deficiency include glossitis, seborrhea, angular stomaitis, cheilosis and photophobia. The vitamers include riboflavin and its phosphate derivatives (and includes their salt, ionised and hydrate forms)." [] subset: 3_STAR synonym: "vitamin B-2" RELATED [ChEBI] synonym: "vitamin B2" EXACT [ChEBI] synonym: "vitamins B2" RELATED [ChEBI] synonym: "vitamins B2 vitamer" RELATED [ChEBI] synonym: "vitamins B2 vitamers" RELATED [ChEBI] is_a: CHEBI:75769 ! B vitamin [Term] id: CHEBI:176839 name: vitamin B3 namespace: chebi_ontology def: "Any member of a group of vitamers that belong to the chemical structural class called pyridines that exhibit biological activity against vitamin B3 deficiency. Vitamin B3 deficiency causes a condition known as pellagra whose symptoms include depression, dermatitis and diarrhea. The vitamers include nicotinic acid and nicotinamide (and their ionized and salt forms)." [] subset: 3_STAR synonym: "vitamin B-3" RELATED [ChEBI] synonym: "vitamin B3" EXACT [ChEBI] synonym: "vitamin B3 vitamer" RELATED [ChEBI] synonym: "vitamin B3 vitamers" RELATED [ChEBI] synonym: "vitamins B3" RELATED [ChEBI] is_a: CHEBI:75769 ! B vitamin [Term] id: CHEBI:176840 name: vitamin B5 namespace: chebi_ontology def: "Any member of a group of vitamers that belong to the chemical structural class called pantothenic acids that exhibit biological activity against vitamin B5 deficiency. Deficiency of vitamin B5 is rare due to its widespread distribution in whole grain cereals, legumes and meat. Symptoms associated with vitamin B5 deficiency are difficult to asses since they are subtle and resemble those of other B vitamin deficiencies. The vitamers include (R)-pantothenic acid and its ionized and salt forms." [] subset: 3_STAR synonym: "vitamin B-5" RELATED [ChEBI] synonym: "vitamin B5" EXACT [ChEBI] synonym: "vitamin B5 vitamer" RELATED [ChEBI] synonym: "vitamin B5 vitamers" RELATED [ChEBI] synonym: "vitamins B5" RELATED [ChEBI] is_a: CHEBI:75769 ! B vitamin [Term] id: CHEBI:176841 name: vitamin B7 namespace: chebi_ontology def: "Any member of a group of vitamers that belong to the chemical structural class called biotins that exhibit biological activity against vitamin B7 deficiency. Vitamin B7 deficiency is very rare in individuals who take a normal balanced diet. Foods rich in biotin are egg yolk, liver, cereals, vegetables (spinach, mushrooms) and rice. Symptoms associated with vitamin B7 deficiency include thinning hair, scaly skin rashes around eyes, nose and mouth, and brittle nails. The vitamers include biotin and its ionized and salt forms." [] subset: 3_STAR synonym: "vitamin B-7" RELATED [ChEBI] synonym: "vitamin B7" EXACT [ChEBI] synonym: "vitamin B7 vitamer" RELATED [ChEBI] synonym: "vitamin B7 vitamers" RELATED [ChEBI] synonym: "vitamins B7" RELATED [ChEBI] is_a: CHEBI:75769 ! B vitamin [Term] id: CHEBI:176842 name: vitamin B9 namespace: chebi_ontology def: "Any B-vitamin that exhibits biological activity against vitamin B9 deficiency. Vitamin B9 refers to the many forms of folic acid and its derivatives, including tetrahydrofolic acid (the active form), methyltetrahydrofolate (the primary form found in blood), methenyltetrahydrofolate, folinic acid amongst others. They are present in abundance in green leafy vegetables, citrus fruits, and animal products. Lack of vitamin B9 leads to anemia, a condition in which the body cannot produce sufficient number of red blood cells. Symptoms of vitamin B9 deficiency include fatigue, muscle weakness, and pale skin." [] subset: 3_STAR synonym: "folate vitamer" RELATED [ChEBI] synonym: "folate vitamers" RELATED [ChEBI] synonym: "vitamin B-9" RELATED [ChEBI] synonym: "vitamin B9" EXACT [ChEBI] synonym: "vitamin B9 vitamer" RELATED [ChEBI] synonym: "vitamin B9 vitamers" RELATED [ChEBI] synonym: "vitamins B9" RELATED [ChEBI] is_a: CHEBI:75769 ! B vitamin [Term] id: CHEBI:176843 name: vitamin B12 namespace: chebi_ontology def: "Any member of a group of cobalamin vitamers that exhibit biological activity against vitamin B12 deficiency. Vitamin B12 deficiency is associated with low red blood cell count and anemia. The vitamers are found in foods such as cereals, meat, fish, and poultry. The vitamers include adenosylcobalamin, hydroxocobalamin, cyanocobalamin, aquacobalamin, nitritocobalamin and methylcobabalamin (also includes their ionized, salt and phosphate derivatives)." [] subset: 3_STAR synonym: "vitamin B-12" RELATED [ChEBI] synonym: "vitamin B12" EXACT [ChEBI] synonym: "vitamin B12 vitamer" RELATED [ChEBI] synonym: "vitamin B12 vitamers" RELATED [ChEBI] synonym: "vitamins B12" RELATED [ChEBI] is_a: CHEBI:75769 ! B vitamin [Term] id: CHEBI:17716 name: lactose namespace: chebi_ontology alt_id: CHEBI:10296 alt_id: CHEBI:10380 alt_id: CHEBI:14497 alt_id: CHEBI:22460 alt_id: CHEBI:22760 alt_id: CHEBI:25005 alt_id: CHEBI:27755 alt_id: CHEBI:613009 def: "A glycosylglucose disaccharide, found most notably in milk, that consists of D-galactose and D-glucose fragments bonded through a beta-1->4 glycosidic linkage. The glucose fragment can be in either the alpha- or beta-pyranose form, whereas the galactose fragment can only have the beta-pyranose form." [] subset: 3_STAR synonym: "(+)-lactose" RELATED [NIST_Chemistry_WebBook] synonym: "(Gal)1 (Glc)1" RELATED [KEGG_GLYCAN] synonym: "1-beta-D-Galactopyranosyl-4-D-glucopyranose" RELATED [KEGG_COMPOUND] synonym: "4-(beta-D-galactosido)-D-glucose" RELATED [NIST_Chemistry_WebBook] synonym: "4-O-beta-D-galactopyranosyl-D-glucose" RELATED [IUPAC] synonym: "beta-D-Gal-(1->4)-D-Glc" RELATED [KEGG_COMPOUND] synonym: "beta-D-galactopyranosyl-(1->4)-D-glucopyranose" EXACT IUPAC_NAME [IUPAC] synonym: "beta-D-Galp-(1->4)-D-Glcp" RELATED [IUPAC] synonym: "beta-Gal1,4-Glc" RELATED [ChEBI] synonym: "D-lactose" RELATED [ChemIDplus] synonym: "Galbeta1-4Glc" RELATED [ChEBI] synonym: "Lac" RELATED [JCBN] synonym: "lactobiose" RELATED [NIST_Chemistry_WebBook] synonym: "lactose" EXACT [UniProt] synonym: "Laktobiose" RELATED [ChEBI] synonym: "Laktose" RELATED [ChEBI] synonym: "Milchzucker" RELATED [ChEBI] synonym: "Milk sugar" RELATED [KEGG_COMPOUND] synonym: "milk sugar" RELATED [NIST_Chemistry_WebBook] synonym: "WURCS=2.0/2,2,1/[a2122h-1x_1-5][a2112h-1b_1-5]/1-2/a4-b1" RELATED [GlyTouCan] xref: Beilstein:1292745 {source="Beilstein"} xref: CAS:63-42-3 {source="NIST Chemistry WebBook"} xref: CAS:63-42-3 {source="ChemIDplus"} xref: CAS:63-42-3 {source="KEGG COMPOUND"} xref: GlyGen:G74621DY xref: GlyTouCan:G74621DY xref: Gmelin:882872 {source="Gmelin"} xref: KEGG:C00243 xref: KEGG:D00046 xref: KEGG:G10504 xref: KNApSAcK:C00001136 xref: PMID:1292745 {source="Europe PMC"} xref: PMID:17329833 {source="Europe PMC"} xref: PMID:18300214 {source="Europe PMC"} xref: PMID:19053747 {source="ChEMBL"} xref: PMID:19846069 {source="Europe PMC"} xref: PMID:19913595 {source="Europe PMC"} xref: PMID:20094999 {source="Europe PMC"} xref: PMID:20503067 {source="Europe PMC"} xref: PMID:20699559 {source="Europe PMC"} xref: PMID:20873837 {source="Europe PMC"} xref: PMID:20961532 {source="Europe PMC"} xref: PMID:21403918 {source="Europe PMC"} xref: PMID:2432147 {source="Europe PMC"} xref: PMID:2456994 {source="Europe PMC"} xref: PMID:28690131 {source="Europe PMC"} xref: PMID:28807538 {source="Europe PMC"} xref: PMID:6194884 {source="Europe PMC"} xref: PMID:7574700 {source="Europe PMC"} xref: Reaxys:1292745 {source="Reaxys"} is_a: CDNO:0000004 ! free sugar is_a: CHEBI:36233 ! disaccharide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H22O11" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11?,12+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GUBGYTABKSRVRQ-QKKXKWKRSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "342.297" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "342.11621" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:17750 name: glycine betaine namespace: chebi_ontology alt_id: CHEBI:13895 alt_id: CHEBI:15264 alt_id: CHEBI:22858 alt_id: CHEBI:24370 alt_id: CHEBI:27128 alt_id: CHEBI:3073 def: "The amino acid betaine derived from glycine." [] subset: 3_STAR synonym: "(trimethylammonio)acetate" EXACT IUPAC_NAME [IUPAC] synonym: "(trimethylammoniumyl)acetate" RELATED [IUPAC] synonym: "1-carboxy-N,N,N-trimethylmethanaminium inner salt" RELATED [NIST_Chemistry_WebBook] synonym: "2-N,N,N-trimethylammonio acetate" RELATED [ChEBI] synonym: "abromine" RELATED [ChemIDplus] synonym: "acidol" RELATED [ChEBI] synonym: "Bet" RELATED [ChEBI] synonym: "Betaine" RELATED [KEGG_COMPOUND] synonym: "Glycine betaine" EXACT [KEGG_COMPOUND] synonym: "glycine betaine" EXACT [UniProt] synonym: "N,N,N-trimethylammonioacetate" RELATED [IUPAC] synonym: "N,N,N-Trimethylglycine" RELATED [KEGG_COMPOUND] synonym: "Trimethylaminoacetate" RELATED [KEGG_COMPOUND] synonym: "Trimethylammonioacetate" RELATED [KEGG_COMPOUND] synonym: "trimethylglycine" RELATED [ChEBI] synonym: "trimethylglycocoll" RELATED [ChemIDplus] xref: Beilstein:3537113 {source="Beilstein"} xref: CAS:107-43-7 {source="KEGG COMPOUND"} xref: CAS:107-43-7 {source="ChemIDplus"} xref: CAS:107-43-7 {source="NIST Chemistry WebBook"} xref: Drug_Central:347 {source="DrugCentral"} xref: Gmelin:26434 {source="Gmelin"} xref: HMDB:HMDB0000043 xref: KEGG:C00719 xref: KEGG:D07523 xref: KNApSAcK:C00007291 xref: MetaCyc:BETAINE xref: PDBeChem:BET xref: PMID:16197300 {source="Europe PMC"} xref: PMID:18326594 {source="Europe PMC"} xref: PMID:20346934 {source="Europe PMC"} xref: PMID:20446114 {source="Europe PMC"} xref: PMID:20642826 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: Reaxys:3537113 {source="Reaxys"} xref: Wikipedia:Trimethylglycine xref: YMDB:YMDB01516 is_a: CDNO:0000013 ! plant secondary metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H11NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KWIUHFFTVRNATP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "117.14638" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "117.07898" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[N+](C)(C)CC([O-])=O" xsd:string [Term] id: CHEBI:17754 name: glycerol namespace: chebi_ontology alt_id: CHEBI:131422 alt_id: CHEBI:14334 alt_id: CHEBI:24351 alt_id: CHEBI:42998 alt_id: CHEBI:5448 def: "A triol with a structure of propane substituted at positions 1, 2 and 3 by hydroxy groups." [] subset: 3_STAR synonym: "1,2,3-Propanetriol" RELATED [KEGG_COMPOUND] synonym: "1,2,3-Trihydroxypropane" RELATED [KEGG_COMPOUND] synonym: "Glycerin" RELATED [KEGG_COMPOUND] synonym: "glycerine" RELATED [ChEBI] synonym: "Glyceritol" RELATED [HMDB] synonym: "GLYCEROL" EXACT [PDBeChem] synonym: "Glycerol" EXACT [KEGG_COMPOUND] synonym: "glycerol" EXACT [UniProt] synonym: "glycerol" EXACT [ChEBI] synonym: "glycerol" RELATED INN [ChemIDplus] synonym: "glycerolum" RELATED INN [ChemIDplus] synonym: "glycyl alcohol" RELATED [NIST_Chemistry_WebBook] synonym: "Glyzerin" RELATED [ChEBI] synonym: "Gro" RELATED [JCBN] synonym: "Oelsuess" RELATED [ChEBI] synonym: "propane-1,2,3-triol" EXACT IUPAC_NAME [IUPAC] synonym: "Propanetriol" RELATED [HMDB] synonym: "Trihydroxypropane" RELATED [HMDB] xref: Beilstein:635685 {source="Beilstein"} xref: CAS:56-81-5 {source="KEGG COMPOUND"} xref: CAS:56-81-5 {source="NIST Chemistry WebBook"} xref: CAS:56-81-5 {source="ChemIDplus"} xref: Chemspider:733 xref: Drug_Central:1316 {source="DrugCentral"} xref: DrugBank:DB04077 xref: ECMDB:ECMDB00131 xref: FooDB:FDB000756 xref: Gmelin:26279 {source="Gmelin"} xref: HMDB:HMDB0000131 xref: KEGG:C00116 xref: KEGG:D00028 xref: KNApSAcK:C00001163 xref: LINCS:LSM-37180 xref: MetaCyc:GLYCEROL xref: PDB:2AJS xref: PDB:2D03 xref: PDBeChem:GOL xref: PMID:11302662 {source="Europe PMC"} xref: PMID:11958517 {source="Europe PMC"} xref: PMID:11994365 {source="Europe PMC"} xref: PMID:12672239 {source="ChEMBL"} xref: PMID:12687625 {source="Europe PMC"} xref: PMID:12689633 {source="Europe PMC"} xref: PMID:12713573 {source="Europe PMC"} xref: PMID:14559393 {source="Europe PMC"} xref: PMID:14563847 {source="Europe PMC"} xref: PMID:15026783 {source="Europe PMC"} xref: PMID:15342117 {source="Europe PMC"} xref: PMID:15786693 {source="Europe PMC"} xref: PMID:15983192 {source="Europe PMC"} xref: PMID:16244855 {source="Europe PMC"} xref: PMID:16258193 {source="Europe PMC"} xref: PMID:16319039 {source="Europe PMC"} xref: PMID:16349488 {source="Europe PMC"} xref: PMID:16475911 {source="Europe PMC"} xref: PMID:16651733 {source="Europe PMC"} xref: PMID:16664750 {source="Europe PMC"} xref: PMID:16901854 {source="Europe PMC"} xref: PMID:17336832 {source="Europe PMC"} xref: PMID:17439666 {source="Europe PMC"} xref: PMID:17979222 {source="Europe PMC"} xref: PMID:19184438 {source="Europe PMC"} xref: PMID:19231894 {source="Europe PMC"} xref: PMID:19460032 {source="Europe PMC"} xref: PMID:19548674 {source="Europe PMC"} xref: PMID:19795216 {source="Europe PMC"} xref: PMID:19956799 {source="Europe PMC"} xref: PMID:22705534 {source="Europe PMC"} xref: PMID:23562176 {source="Europe PMC"} xref: PMID:23747440 {source="Europe PMC"} xref: PMID:24643482 {source="Europe PMC"} xref: PMID:24835191 {source="Europe PMC"} xref: PMID:25108762 {source="Europe PMC"} xref: PMID:558160 {source="Europe PMC"} xref: PMID:6299616 {source="Europe PMC"} xref: PMID:7031247 {source="ChEMBL"} xref: PMID:7392035 {source="ChEMBL"} xref: PPDB:1317 xref: Reaxys:635685 {source="Reaxys"} xref: UM-BBD_compID:c0066 {source="UM-BBD"} xref: Wikipedia:Glycerol xref: YMDB:YMDB00283 is_a: CHEBI:26191 ! polyol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H8O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PEDCQBHIVMGVHV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "92.09382" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "92.04734" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OCC(O)CO" xsd:string [Term] id: CHEBI:17822 name: serine namespace: chebi_ontology alt_id: CHEBI:15081 alt_id: CHEBI:26648 alt_id: CHEBI:9116 def: "An alpha-amino acid that is alanine substituted at position 3 by a hydroxy group." [] subset: 3_STAR synonym: "2-amino-3-hydroxypropanoic acid" RELATED [IUPAC] synonym: "2-Amino-3-hydroxypropionic acid" RELATED [KEGG_COMPOUND] synonym: "3-Hydroxyalanine" RELATED [KEGG_COMPOUND] synonym: "Serin" RELATED [ChEBI] synonym: "Serine" EXACT [KEGG_COMPOUND] synonym: "serine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1721402 {source="Beilstein"} xref: CAS:302-84-1 {source="NIST Chemistry WebBook"} xref: CAS:302-84-1 {source="ChemIDplus"} xref: CAS:302-84-1 {source="KEGG COMPOUND"} xref: Gmelin:26429 {source="Gmelin"} xref: KEGG:C00716 xref: KNApSAcK:C00001393 xref: Reaxys:1721402 {source="Reaxys"} xref: Wikipedia:Serine is_a: CHEBI:33709 ! amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MTCFGRXMJLQNBG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "105.09262" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "105.04259" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(CO)C(O)=O" xsd:string [Term] id: CHEBI:17855 name: triglyceride namespace: chebi_ontology alt_id: CHEBI:15255 alt_id: CHEBI:27085 alt_id: CHEBI:9664 def: "Any glyceride resulting from the condensation of all three hydroxy groups of glycerol (propane-1,2,3-triol) with fatty acids." [] subset: 3_STAR synonym: "a triacylglycerol" RELATED [UniProt] synonym: "Triacylglycerol" RELATED [KEGG_COMPOUND] synonym: "triacylglycerols" RELATED [LIPID_MAPS] synonym: "Triglycerid" RELATED [ChEBI] synonym: "Triglyceride" EXACT [KEGG_COMPOUND] synonym: "triglycerides" EXACT IUPAC_NAME [IUPAC] synonym: "triglycerides" RELATED [ChEBI] synonym: "Triglyzerid" RELATED [ChEBI] xref: KEGG:C00422 xref: LIPID_MAPS_class:LMGL0301 {source="LIPID MAPS"} xref: PMID:2474544 {source="Europe PMC"} is_a: CHEBI:18059 ! lipid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H5O6R3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "173.10030" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "173.00861" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]C(=O)OCC(COC([*])=O)OC([*])=O" xsd:string [Term] id: CHEBI:17883 name: hydrogen chloride namespace: chebi_ontology alt_id: CHEBI:13364 alt_id: CHEBI:24635 alt_id: CHEBI:5590 def: "A mononuclear parent hydride consisting of covalently bonded hydrogen and chlorine atoms." [] subset: 3_STAR synonym: "[HCl]" RELATED [IUPAC] synonym: "chlorane" EXACT IUPAC_NAME [IUPAC] synonym: "chloridohydrogen" EXACT IUPAC_NAME [IUPAC] synonym: "chlorure d'hydrogene" RELATED [ChEBI] synonym: "Chlorwasserstoff" RELATED [ChEBI] synonym: "cloruro de hidrogeno" RELATED [ChEBI] synonym: "HCl" RELATED [KEGG_COMPOUND] synonym: "hydrochloric acid" RELATED [ChemIDplus] synonym: "Hydrochloride" RELATED [KEGG_COMPOUND] synonym: "Hydrogen chloride" EXACT [KEGG_COMPOUND] synonym: "hydrogen chloride" EXACT IUPAC_NAME [IUPAC] synonym: "Hydrogenchlorid" RELATED [ChEBI] synonym: "Wasserstoffchlorid" RELATED [ChEBI] xref: CAS:7647-01-0 {source="ChemIDplus"} xref: CAS:7647-01-0 {source="NIST Chemistry WebBook"} xref: CAS:7647-01-0 {source="KEGG COMPOUND"} xref: Drug_Central:4568 {source="DrugCentral"} xref: Gmelin:322 {source="Gmelin"} xref: HMDB:HMDB0002306 xref: KEGG:C01327 xref: KEGG:D02057 xref: MetaCyc:HCL xref: PMID:15823700 {source="Europe PMC"} xref: PMID:17492841 {source="Europe PMC"} xref: PMID:22804993 {source="Europe PMC"} xref: Reaxys:1098214 {source="Reaxys"} xref: Wikipedia:HCl xref: Wikipedia:Hydrochloric_acid is_a: CHEBI:17996 ! chloride property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "ClH" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HCl" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClH/h1H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VEXZGXHMUGYJMC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "36.46064" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "35.97668" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cl[H]" xsd:string [Term] id: CHEBI:17933 name: calcidiol namespace: chebi_ontology alt_id: CHEBI:13931 alt_id: CHEBI:19815 alt_id: CHEBI:3304 alt_id: CHEBI:46387 def: "A hydroxycalciol that is calciol in which the hydrogen at position 25 has been replaced by a hydroxy group. A prehormone resulting from the oxidation of calciol in the liver, it is further hydroxylated in the kidney to give calcitriol, the active form of vitamin D3." [] subset: 3_STAR synonym: "(3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol" RELATED [ChemIDplus] synonym: "(3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol" EXACT IUPAC_NAME [IUPAC] synonym: "(3S,5Z,7E)-9,10-secocholesta-5,7,10-triene-3,25-diol" RELATED [PDBeChem] synonym: "(5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol" RELATED [JCBN] synonym: "25(OH)D3" RELATED [ChEBI] synonym: "25-hydroxycholecalciferol" RELATED [JCBN] synonym: "25-Hydroxyvitamin D3" RELATED [KEGG_COMPOUND] synonym: "25-hydroxyvitamin D3" RELATED [ChEBI] synonym: "3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL" RELATED [PDBeChem] synonym: "Calcidiol" EXACT [KEGG_COMPOUND] synonym: "calcidiol" EXACT [UniProt] synonym: "Calcifediol" RELATED [KEGG_COMPOUND] synonym: "calcifediol" RELATED INN [ChEBI] synonym: "calcifediol" RELATED INN [WHO_MedNet] synonym: "Calcifediol anhydrous" RELATED [KEGG_COMPOUND] synonym: "calcifediolum" RELATED INN [ChEBI] synonym: "Rayaldee" RELATED BRAND_NAME [ChEBI] xref: Beilstein:4270041 {source="Beilstein"} xref: CAS:19356-17-3 {source="ChemIDplus"} xref: CAS:19356-17-3 {source="KEGG COMPOUND"} xref: Drug_Central:464 {source="DrugCentral"} xref: DrugBank:DB00146 xref: KEGG:C01561 xref: LIPID_MAPS_instance:LMST03020246 {source="LIPID MAPS"} xref: PDBeChem:VDY xref: PMID:16549446 {source="Europe PMC"} xref: PMID:18689406 {source="Europe PMC"} xref: PMID:22487892 {source="Europe PMC"} xref: PMID:22536761 {source="Europe PMC"} xref: PMID:23090338 {source="Europe PMC"} xref: PMID:23566108 {source="Europe PMC"} xref: PMID:9080330 {source="Europe PMC"} xref: Reaxys:4270041 {source="Reaxys"} xref: Wikipedia:Calcifediol is_a: CHEBI:73558 ! D3 vitamins property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H44O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JWUBBDSIWDLEOM-DTOXIADCSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "400.63706" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "400.33413" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CCCC(C)(C)O" xsd:string [Term] id: CHEBI:17992 name: sucrose namespace: chebi_ontology alt_id: CHEBI:15128 alt_id: CHEBI:26812 alt_id: CHEBI:45795 alt_id: CHEBI:9314 def: "A glycosyl glycoside formed by glucose and fructose units joined by an acetal oxygen bridge from hemiacetal of glucose to the hemiketal of the fructose." [] subset: 3_STAR synonym: "1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside" RELATED [KEGG_COMPOUND] synonym: "beta-D-fructofuranosyl alpha-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "beta-D-Fruf-(2<->1)-alpha-D-Glcp" RELATED [JCBN] synonym: "Cane sugar" RELATED [KEGG_COMPOUND] synonym: "sacarosa" RELATED [ChEBI] synonym: "Saccharose" RELATED [KEGG_COMPOUND] synonym: "Sacharose" RELATED [ChEBI] synonym: "SUCROSE" EXACT [PDBeChem] synonym: "Sucrose" EXACT [KEGG_COMPOUND] synonym: "sucrose" EXACT [UniProt] synonym: "table sugar" RELATED [ChemIDplus] synonym: "White sugar" RELATED [HMDB] xref: Beilstein:90825 {source="Beilstein"} xref: CAS:57-50-1 {source="KEGG COMPOUND"} xref: CAS:57-50-1 {source="ChemIDplus"} xref: CAS:57-50-1 {source="NIST Chemistry WebBook"} xref: Drug_Central:4610 {source="DrugCentral"} xref: DrugBank:DB02772 xref: Gmelin:97695 {source="Gmelin"} xref: HMDB:HMDB0000258 xref: KEGG:C00089 xref: KEGG:D00025 xref: KEGG:D06533 xref: KEGG:G00370 xref: KNApSAcK:C00001151 xref: MetaCyc:SUCROSE xref: PDBeChem:SUC xref: PMID:11021636 {source="Europe PMC"} xref: PMID:11093712 {source="Europe PMC"} xref: PMID:11111003 {source="Europe PMC"} xref: PMID:12065720 {source="Europe PMC"} xref: PMID:12706980 {source="Europe PMC"} xref: PMID:13508893 {source="Europe PMC"} xref: PMID:15291457 {source="Europe PMC"} xref: PMID:15660210 {source="Europe PMC"} xref: PMID:15792978 {source="Europe PMC"} xref: PMID:15845855 {source="Europe PMC"} xref: PMID:16228482 {source="Europe PMC"} xref: PMID:16304615 {source="Europe PMC"} xref: PMID:16313996 {source="Europe PMC"} xref: PMID:16525719 {source="Europe PMC"} xref: PMID:16660545 {source="Europe PMC"} xref: PMID:16663947 {source="Europe PMC"} xref: PMID:16665852 {source="Europe PMC"} xref: PMID:17233733 {source="Europe PMC"} xref: PMID:17439666 {source="Europe PMC"} xref: PMID:17597061 {source="Europe PMC"} xref: PMID:18625236 {source="Europe PMC"} xref: PMID:19199566 {source="Europe PMC"} xref: PMID:19726178 {source="Europe PMC"} xref: PMID:21703290 {source="Europe PMC"} xref: PMID:21972845 {source="Europe PMC"} xref: PMID:22085755 {source="Europe PMC"} xref: PMID:22311778 {source="Europe PMC"} xref: PMID:22404833 {source="Europe PMC"} xref: PMID:22751876 {source="Europe PMC"} xref: Reaxys:1435311 {source="Reaxys"} xref: Reaxys:90825 {source="Reaxys"} xref: Wikipedia:Sucrose is_a: CDNO:0000004 ! free sugar is_a: CHEBI:36233 ! disaccharide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H22O11" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CZMRCDWAGMRECN-UGDNZRGBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "342.29650" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "342.11621" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O" xsd:string [Term] id: CHEBI:17996 name: chloride namespace: chebi_ontology alt_id: CHEBI:13291 alt_id: CHEBI:13970 alt_id: CHEBI:3616 alt_id: CHEBI:3731 alt_id: CHEBI:48804 def: "A halide anion formed when chlorine picks up an electron to form an an anion." [] subset: 3_STAR synonym: "Chloride" EXACT [KEGG_COMPOUND] synonym: "chloride" EXACT [UniProt] synonym: "chloride" EXACT IUPAC_NAME [IUPAC] synonym: "CHLORIDE ION" RELATED [PDBeChem] synonym: "Chloride ion" RELATED [KEGG_COMPOUND] synonym: "Chloride(1-)" RELATED [ChemIDplus] synonym: "chloride(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "Chlorine anion" RELATED [NIST_Chemistry_WebBook] synonym: "Cl(-)" RELATED [IUPAC] synonym: "Cl-" RELATED [KEGG_COMPOUND] xref: Beilstein:3587171 {source="Beilstein"} xref: CAS:16887-00-6 {source="ChemIDplus"} xref: CAS:16887-00-6 {source="NIST Chemistry WebBook"} xref: CAS:16887-00-6 {source="KEGG COMPOUND"} xref: Gmelin:14910 {source="Gmelin"} xref: KEGG:C00115 xref: KEGG:C00698 xref: PDBeChem:CL xref: UM-BBD_compID:c0884 {source="UM-BBD"} is_a: CDNO:0000016 ! dietary chlorine property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClH/h1H/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VEXZGXHMUGYJMC-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "35.45270" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "34.96940" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cl-]" xsd:string [Term] id: CHEBI:18024 name: D-galacturonic acid namespace: chebi_ontology alt_id: CHEBI:20976 alt_id: CHEBI:20978 def: "The D-enantiomer of galacturonic acid. It is the main component of pectin." [] subset: 3_STAR synonym: "D-galacturonate" RELATED [ChEBI] synonym: "D-galacturonic acid" EXACT IUPAC_NAME [IUPAC] synonym: "D-galacturonic acids" RELATED [ChEBI] xref: PMID:21683149 {source="Europe PMC"} xref: PMID:24502254 {source="Europe PMC"} is_a: CHEBI:33830 ! galacturonic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H10O7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "194.140" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "194.04265" xsd:string [Term] id: CHEBI:18035 name: diglyceride namespace: chebi_ontology alt_id: CHEBI:14135 alt_id: CHEBI:23653 alt_id: CHEBI:4481 def: "A glyceride that is glycerol in which any two of the hydroxy groups have been acylated. In the structure shown, two of the R groups (positions not specified) are acyl groups while the remaining R group can be either H or an alkyl group." [] subset: 3_STAR synonym: "a diacylglycerol" RELATED [UniProt] synonym: "di-O-acylglycerols" RELATED [ChEBI] synonym: "Diacylglycerol" RELATED [KEGG_COMPOUND] synonym: "diacylglycerols" RELATED [LIPID_MAPS] synonym: "Diglyceride" EXACT [KEGG_COMPOUND] synonym: "diglycerides" EXACT IUPAC_NAME [IUPAC] synonym: "diglycerides" RELATED [ChEBI] xref: KEGG:C00165 xref: LIPID_MAPS_class:LMGL0201 {source="LIPID MAPS"} is_a: CHEBI:18059 ! lipid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H6O5R2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "89.07000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "89.02387" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]OCC(CO[*])O[*]" xsd:string [Term] id: CHEBI:18059 name: lipid namespace: chebi_ontology alt_id: CHEBI:14517 alt_id: CHEBI:25054 alt_id: CHEBI:6486 def: "'Lipids' is a loosely defined term for substances of biological origin that are soluble in nonpolar solvents. They consist of saponifiable lipids, such as glycerides (fats and oils) and phospholipids, as well as nonsaponifiable lipids, principally steroids." [] subset: 3_STAR synonym: "Lipid" EXACT [KEGG_COMPOUND] synonym: "lipids" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C01356 is_a: CDNO:0000001 ! dietary chemical component [Term] id: CHEBI:18067 name: phylloquinone namespace: chebi_ontology alt_id: CHEBI:11611 alt_id: CHEBI:14833 alt_id: CHEBI:26105 alt_id: CHEBI:45148 alt_id: CHEBI:8181 def: "A member of the class of phylloquinones that consists of 1,4-naphthoquinone having methyl and phytyl groups at positions 2 and 3 respectively. The parent of the class of phylloquinones." [] subset: 3_STAR synonym: "2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenedione" RELATED [ChemIDplus] synonym: "2-Methyl-3-[(2E)-3,7,11,15-tetramethyl-2-hexadecenyl]naphthoquinone" RELATED [NIST_Chemistry_WebBook] synonym: "2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-dione" EXACT IUPAC_NAME [IUPAC] synonym: "2-Methyl-3-phytyl-1,4-naphthochinon" RELATED [ChemIDplus] synonym: "2-methyl-3-phytyl-1,4-naphthoquinone" RELATED [KEGG_COMPOUND] synonym: "3-phytylmenadione" RELATED [ChemIDplus] synonym: "alpha-phylloquinone" RELATED [NIST_Chemistry_WebBook] synonym: "fitomenadiona" RELATED INN [WHO_MedNet] synonym: "fitomenadione" RELATED [ChemIDplus] synonym: "Mephyton" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Phyllochinon" RELATED [ChemIDplus] synonym: "Phyllochinonum" RELATED [ChemIDplus] synonym: "PHYLLOQUINONE" EXACT [PDBeChem] synonym: "Phylloquinone" EXACT [KEGG_COMPOUND] synonym: "phylloquinone" EXACT [UniProt] synonym: "phytomenadione" RELATED INN [WHO_MedNet] synonym: "phytomenadionum" RELATED INN [WHO_MedNet] synonym: "phytonadione" RELATED [KEGG_COMPOUND] synonym: "Phytonadionum" RELATED [ChemIDplus] synonym: "Phytylmenadione" RELATED [ChemIDplus] synonym: "trans-Phylloquinone" RELATED [NIST_Chemistry_WebBook] synonym: "Vitamin K1" RELATED [KEGG_COMPOUND] synonym: "vitamin K1" RELATED [ChEBI] synonym: "vitamin K1(20)" RELATED [ChemIDplus] xref: CAS:84-80-0 {source="KEGG COMPOUND"} xref: CAS:84-80-0 {source="ChemIDplus"} xref: CAS:84-80-0 {source="NIST Chemistry WebBook"} xref: Chemspider:4447652 xref: Drug_Central:2843 {source="DrugCentral"} xref: DrugBank:DB01022 xref: HMDB:HMDB0003555 xref: KEGG:C02059 xref: KEGG:D00148 xref: KNApSAcK:C00002868 xref: LIPID_MAPS_instance:LMPR02030028 {source="LIPID MAPS"} xref: MetaCyc:2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE xref: PDBeChem:PQN xref: PMCID:PMC6577341 {source="Europe PMC"} xref: PMCID:PMC8180628 {source="Europe PMC"} xref: PMID:1009028 {source="Europe PMC"} xref: PMID:10701947 {source="Europe PMC"} xref: PMID:10893417 {source="Europe PMC"} xref: PMID:11003724 {source="Europe PMC"} xref: PMID:15686525 {source="Europe PMC"} xref: PMID:15773196 {source="Europe PMC"} xref: PMID:19588895 {source="Europe PMC"} xref: PMID:19996170 {source="Europe PMC"} xref: PMID:21169510 {source="Europe PMC"} xref: PMID:21645693 {source="Europe PMC"} xref: PMID:21844348 {source="Europe PMC"} xref: PMID:21914559 {source="Europe PMC"} xref: PMID:27337968 {source="Europe PMC"} xref: PMID:2851012 {source="Europe PMC"} xref: PMID:30609653 {source="Europe PMC"} xref: PMID:32090699 {source="Europe PMC"} xref: PMID:32109957 {source="Europe PMC"} xref: PMID:32221088 {source="Europe PMC"} xref: PMID:32222983 {source="Europe PMC"} xref: PMID:32445363 {source="Europe PMC"} xref: PMID:33793953 {source="Europe PMC"} xref: PMID:33968245 {source="Europe PMC"} xref: PMID:34134516 {source="Europe PMC"} xref: PMID:5511811 {source="Europe PMC"} xref: PMID:7657478 {source="Europe PMC"} xref: Reaxys:2568816 {source="Reaxys"} xref: Wikipedia:Phytomenadione is_a: CHEBI:28384 ! vitamin K property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C31H46O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MBWXNTAXLNYFJB-NKFFZRIASA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "450.707" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "450.34978" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\\C(C)=C\\CC1=C(C)C(=O)C2=C(C=CC=C2)C1=O" xsd:string [Term] id: CHEBI:18135 name: catechol namespace: chebi_ontology alt_id: CHEBI:135158 alt_id: CHEBI:13950 alt_id: CHEBI:23054 alt_id: CHEBI:3467 alt_id: CHEBI:41441 def: "A benzenediol comprising of a benzene core carrying two hydroxy substituents ortho to each other." [] subset: 3_STAR synonym: "1,2-Benzenediol" RELATED [KEGG_COMPOUND] synonym: "1,2-Dihydroxybenzene" RELATED [KEGG_COMPOUND] synonym: "2-hydroxyphenol" RELATED [ChEBI] synonym: "alpha-hydroxyphenol" RELATED [ChEBI] synonym: "benzene-1,2-diol" EXACT IUPAC_NAME [IUPAC] synonym: "Brenzcatechin" RELATED [KEGG_COMPOUND] synonym: "Catechol" EXACT [KEGG_COMPOUND] synonym: "catechol" EXACT [UniProt] synonym: "o-Benzenediol" RELATED [KEGG_COMPOUND] synonym: "o-hydroxyphenol" RELATED [NIST_Chemistry_WebBook] synonym: "pyrocatechin" RELATED [ChEBI] synonym: "Pyrocatechol" RELATED [KEGG_COMPOUND] xref: Beilstein:471401 {source="Beilstein"} xref: CAS:120-80-9 {source="ChemIDplus"} xref: CAS:120-80-9 {source="NIST Chemistry WebBook"} xref: CAS:120-80-9 {source="KEGG COMPOUND"} xref: CAS:12385-08-9 {source="KEGG COMPOUND"} xref: DrugBank:DB02232 xref: Gmelin:2936 {source="Gmelin"} xref: HMDB:HMDB0000957 xref: KEGG:C00090 xref: KEGG:C01785 xref: KEGG:C15571 xref: KNApSAcK:C00002644 xref: MetaCyc:CATECHOL xref: PDBeChem:CAQ xref: PMID:10651166 {source="Europe PMC"} xref: PMID:11470755 {source="Europe PMC"} xref: PMID:15951152 {source="Europe PMC"} xref: PMID:16610220 {source="Europe PMC"} xref: Reaxys:471401 {source="Reaxys"} xref: UM-BBD_compID:c0097 {source="UM-BBD"} xref: Wikipedia:Catechol is_a: CHEBI:26848 ! tannin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H6O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YCIMNLLNPGFGHC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "110.11064" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "110.03678" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccccc1O" xsd:string [Term] id: CHEBI:18154 name: polysaccharide namespace: chebi_ontology alt_id: CHEBI:14864 alt_id: CHEBI:26205 alt_id: CHEBI:8322 def: "A biomacromolecule consisting of large numbers of monosaccharide residues linked glycosidically. This term is commonly used only for those containing more than ten monosaccharide residues." [] subset: 3_STAR synonym: "Glycan" RELATED [KEGG_COMPOUND] synonym: "Glycane" RELATED [ChEBI] synonym: "glycans" RELATED [IUPAC] synonym: "Glykan" RELATED [ChEBI] synonym: "Glykane" RELATED [ChEBI] synonym: "polisacarido" RELATED [ChEBI] synonym: "polisacaridos" RELATED [IUPAC] synonym: "Polysaccharide" EXACT [KEGG_COMPOUND] synonym: "polysaccharides" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C00420 is_a: CHEBI:16646 ! carbohydrate [Term] id: CHEBI:18176 name: 2-coumaric acid namespace: chebi_ontology alt_id: CHEBI:1151 alt_id: CHEBI:19517 alt_id: CHEBI:19633 def: "A monohydroxycinnamic acid in which the hydroxy substituent is located at C-2 of the phenyl ring." [] subset: 3_STAR synonym: "2-Hydroxycinnamate" RELATED [KEGG_COMPOUND] synonym: "2-hydroxycinnamic acid" RELATED [ChemIDplus] synonym: "3-(2-hydroxyphenyl)acrylic acid" RELATED [ChEBI] synonym: "3-(2-hydroxyphenyl)prop-2-enoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "o-coumaric acid" RELATED [] xref: AGR:IND43878326 {source="Europe PMC"} xref: AGR:IND44077244 {source="Europe PMC"} xref: Beilstein:2207352 {source="Beilstein"} xref: CAS:583-17-5 {source="ChemIDplus"} xref: KEGG:C03549 xref: PMID:24248866 {source="Europe PMC"} xref: PMID:24868863 {source="Europe PMC"} xref: Reaxys:2207352 {source="Reaxys"} is_a: CHEBI:23401 ! coumaric acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H8O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PMOWTIHVNWZYFI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "164.15802" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "164.04734" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=Cc1ccccc1O)C(O)=O" xsd:string [Term] id: CHEBI:18185 name: gamma-tocopherol name: γ-tocopherol namespace: chebi_ontology alt_id: CHEBI:10579 alt_id: CHEBI:12406 alt_id: CHEBI:24199 def: "A tocopherol in which the chroman-6-ol core is substituted by methyl groups at positions 7 and 8. It is found particularly in maize (corn) oil and soya bean (soybean) oils." [] subset: 3_STAR synonym: "(+)-gamma-tocopherol" RELATED [HMDB] synonym: "(2R)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol" RELATED [IUPAC] synonym: "(2R)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol" EXACT IUPAC_NAME [IUPAC] synonym: "(2R)-3,4-dihydro-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol" RELATED [ChemIDplus] synonym: "(2R,4'R,8'R)-gamma-tocopherol" RELATED [HMDB] synonym: "(R,R,R)-gamma-tocopherol" RELATED [HMDB] synonym: "7,8-dimethyltocol" RELATED [ChEBI] synonym: "D-gamma-tocopherol" RELATED [ChemIDplus] synonym: "E308" RELATED [ChEBI] synonym: "gamma-Tocopherol" EXACT [KEGG_COMPOUND] synonym: "gamma-tocopherol" EXACT [] synonym: "gamma-tocopherol" EXACT [UniProt] synonym: "RRR-gamma-tocopherol" RELATED [ChEBI] xref: AGR:IND605428769 {source="Europe PMC"} xref: AGR:IND607289207 {source="Europe PMC"} xref: Beilstein:93072 {source="Beilstein"} xref: CAS:54-28-4 {source="ChemIDplus"} xref: CAS:54-28-4 {source="KEGG COMPOUND"} xref: Chemspider:83708 xref: DrugBank:DB15394 xref: FooDB:FDB002431 xref: HMDB:HMDB0001492 xref: KEGG:C02483 xref: KNApSAcK:C00007365 xref: LIPID_MAPS_instance:LMPR02020065 {source="LIPID MAPS"} xref: MetaCyc:GAMA-TOCOPHEROL xref: PMID:10875465 {source="Europe PMC"} xref: PMID:1146729 {source="Europe PMC"} xref: PMID:11811542 {source="Europe PMC"} xref: PMID:14871472 {source="Europe PMC"} xref: PMID:14988604 {source="Europe PMC"} xref: PMID:15189696 {source="Europe PMC"} xref: PMID:15190048 {source="Europe PMC"} xref: PMID:15213374 {source="Europe PMC"} xref: PMID:15256801 {source="Europe PMC"} xref: PMID:15493460 {source="Europe PMC"} xref: PMID:15753151 {source="Europe PMC"} xref: PMID:15932790 {source="Europe PMC"} xref: PMID:16115338 {source="Europe PMC"} xref: PMID:16336861 {source="Europe PMC"} xref: PMID:16384840 {source="Europe PMC"} xref: PMID:16400056 {source="Europe PMC"} xref: PMID:16481153 {source="Europe PMC"} xref: PMID:16875031 {source="Europe PMC"} xref: PMID:17823432 {source="Europe PMC"} xref: PMID:18582912 {source="Europe PMC"} xref: PMID:19838939 {source="Europe PMC"} xref: PMID:22411374 {source="Europe PMC"} xref: PMID:22513202 {source="Europe PMC"} xref: PMID:22607470 {source="Europe PMC"} xref: PMID:22888664 {source="Europe PMC"} xref: PMID:23429409 {source="Europe PMC"} xref: PMID:2388136 {source="Europe PMC"} xref: PMID:23993952 {source="Europe PMC"} xref: PMID:25501796 {source="Europe PMC"} xref: PMID:25916693 {source="Europe PMC"} xref: PMID:28211759 {source="Europe PMC"} xref: PMID:28506847 {source="Europe PMC"} xref: PMID:28629117 {source="Europe PMC"} xref: PMID:30361021 {source="Europe PMC"} xref: PMID:31136626 {source="Europe PMC"} xref: PMID:31583056 {source="Europe PMC"} xref: PMID:31957471 {source="Europe PMC"} xref: PMID:32065446 {source="Europe PMC"} xref: PMID:32197490 {source="Europe PMC"} xref: PMID:32488024 {source="Europe PMC"} xref: PMID:33352218 {source="Europe PMC"} xref: PMID:33549947 {source="Europe PMC"} xref: PMID:6618108 {source="Europe PMC"} xref: PMID:6875389 {source="Europe PMC"} xref: PMID:6959572 {source="Europe PMC"} xref: PMID:8514270 {source="Europe PMC"} xref: PMID:9537614 {source="Europe PMC"} xref: PMID:9808643 {source="Europe PMC"} xref: Reaxys:93072 {source="Reaxys"} xref: Wikipedia:Gamma-Tocopherol is_a: CHEBI:27013 ! tocopherol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C28H48O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QUEDXNHFTDJVIY-DQCZWYHMSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "416.67952" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "416.36543" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1" xsd:string [Term] id: CHEBI:18186 name: tyrosine namespace: chebi_ontology alt_id: CHEBI:15277 alt_id: CHEBI:27176 alt_id: CHEBI:9800 def: "An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring." [] subset: 3_STAR synonym: "2-amino-3-(4-hydroxyphenyl)propanoic acid" RELATED [IUPAC] synonym: "2-Amino-3-(p-hydroxyphenyl)propionic acid" RELATED [KEGG_COMPOUND] synonym: "3-(p-Hydroxyphenyl)alanine" RELATED [KEGG_COMPOUND] synonym: "tirosina" RELATED [ChEBI] synonym: "Tyr" RELATED [ChEBI] synonym: "Tyrosin" RELATED [ChEBI] synonym: "Tyrosine" EXACT [KEGG_COMPOUND] synonym: "tyrosine" EXACT IUPAC_NAME [IUPAC] synonym: "Y" RELATED [ChEBI] xref: Beilstein:515881 {source="Beilstein"} xref: CAS:55520-40-6 {source="ChemIDplus"} xref: CAS:556-03-6 {source="KEGG COMPOUND"} xref: Gmelin:27744 {source="Gmelin"} xref: KEGG:C01536 xref: KNApSAcK:C00001397 xref: PMID:17190852 {source="Europe PMC"} xref: Reaxys:515881 {source="Reaxys"} is_a: CHEBI:33709 ! amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H11NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OUYCCCASQSFEME-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "181.18858" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "181.07389" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(Cc1ccc(O)cc1)C(O)=O" xsd:string [Term] id: CHEBI:181906 name: Polydextrose namespace: chebi_ontology subset: 2_STAR synonym: "6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol" EXACT IUPAC_NAME [SUBMITTER] xref: Chemspider:30782594 xref: HMDB:HMDB0133305 is_a: CHEBI:16646 ! carbohydrate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H22O11" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DLRVVLDZNNYCBX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "342.297" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "342.11621" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O1C(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C(O)C1CO" xsd:string [Term] id: CHEBI:18222 name: xylose namespace: chebi_ontology alt_id: CHEBI:10085 alt_id: CHEBI:15332 alt_id: CHEBI:27348 alt_id: CHEBI:33944 alt_id: CHEBI:46500 def: "An aldopentose, found in the embryos of most edible plants and used in medicine to test for malabsorption by administration in water to the patient." [] subset: 3_STAR synonym: "DL-xylose" RELATED [ChEBI] synonym: "Xyl" RELATED [JCBN] synonym: "xylo-pentose" EXACT IUPAC_NAME [IUPAC] synonym: "Xylose" EXACT [KEGG_COMPOUND] synonym: "xylose" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C01394 xref: Wikipedia:Xylose is_a: CHEBI:35381 ! monosaccharide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "150.130" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "150.05282" xsd:string [Term] id: CHEBI:18233 name: xyloglucan namespace: chebi_ontology alt_id: CHEBI:10081 alt_id: CHEBI:15330 alt_id: CHEBI:27344 def: "A glucan that consists of a backbone of alpha-(1->4)-linked glucose residues, most of which are substituted with (1->6)-linked xylose side-chains." [] subset: 3_STAR synonym: "Xyloglucan" EXACT [KEGG_COMPOUND] synonym: "xyloglucan" EXACT [UniProt] xref: KEGG:C00807 xref: Wikipedia:Xyloglucan is_a: CHEBI:61266 ! hemicellulose [Term] id: CHEBI:18237 name: glutamic acid namespace: chebi_ontology alt_id: CHEBI:24314 alt_id: CHEBI:5431 def: "An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2." [] subset: 3_STAR synonym: "2-Aminoglutaric acid" RELATED [KEGG_COMPOUND] synonym: "2-aminopentanedioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "DL-Glutamic acid" RELATED [KEGG_DRUG] synonym: "DL-Glutaminic acid" RELATED [KEGG_COMPOUND] synonym: "E" RELATED [ChEBI] synonym: "Glu" RELATED [ChEBI] synonym: "Glutamate" RELATED [KEGG_COMPOUND] synonym: "Glutamic acid" EXACT [KEGG_COMPOUND] synonym: "glutamic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Glutaminic acid" RELATED [KEGG_COMPOUND] synonym: "Glutaminsaeure" RELATED [ChEBI] xref: Beilstein:1723799 {source="Beilstein"} xref: CAS:617-65-2 {source="ChemIDplus"} xref: CAS:617-65-2 {source="NIST Chemistry WebBook"} xref: CAS:617-65-2 {source="KEGG COMPOUND"} xref: Gmelin:101971 {source="Gmelin"} xref: KEGG:C00302 xref: KEGG:D04341 xref: KNApSAcK:C00001358 xref: KNApSAcK:C00019577 xref: PMID:15739367 {source="Europe PMC"} xref: PMID:17190852 {source="Europe PMC"} xref: PMID:24616376 {source="Europe PMC"} xref: PMID:24984001 {source="Europe PMC"} xref: Reaxys:1723799 {source="Reaxys"} xref: Wikipedia:Glutamic_acid is_a: CHEBI:33709 ! amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WHUUTDBJXJRKMK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "147.12930" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "147.05316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(CCC(O)=O)C(O)=O" xsd:string [Term] id: CHEBI:18287 name: L-fucose namespace: chebi_ontology alt_id: CHEBI:13102 alt_id: CHEBI:21293 def: "Any form of fucose having L configuration." [] subset: 3_STAR synonym: "(-)-fucose" RELATED [ChemIDplus] synonym: "(-)-L-fucose" RELATED [ChemIDplus] synonym: "6-deoxy-L-galactose" EXACT IUPAC_NAME [IUPAC] synonym: "L-(-)-fucose" RELATED [ChemIDplus] synonym: "L-Fuc" RELATED [JCBN] synonym: "L-fucose" EXACT IUPAC_NAME [IUPAC] synonym: "L-galactomethylose" RELATED [ChemIDplus] xref: CAS:2438-80-4 {source="ChemIDplus"} xref: PMID:20877283 {source="Europe PMC"} is_a: CHEBI:33984 ! fucose property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "164.15648" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "164.06847" xsd:string [Term] id: CHEBI:18291 name: manganese atom name: manganese(2+) namespace: chebi_ontology alt_id: CHEBI:13382 alt_id: CHEBI:25153 alt_id: CHEBI:6681 subset: 3_STAR synonym: "25Mn" RELATED [IUPAC] synonym: "Mangan" RELATED [NIST_Chemistry_WebBook] synonym: "Manganese" RELATED [KEGG_COMPOUND] synonym: "manganese" EXACT IUPAC_NAME [IUPAC] synonym: "manganese" RELATED [ChEBI] synonym: "manganeso" RELATED [ChEBI] synonym: "manganum" RELATED [ChEBI] synonym: "Mn" RELATED [IUPAC] synonym: "Mn" RELATED [UniProt] xref: CAS:7439-96-5 {source="KEGG COMPOUND"} xref: CAS:7439-96-5 {source="ChemIDplus"} xref: KEGG:C00034 xref: WebElements:Mn is_a: CDNO:0000027 ! dietary manganese property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Mn" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Mn" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PWHULOQIROXLJO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "54.93805" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "54.93804" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Mn]" xsd:string [Term] id: CHEBI:18303 name: phosphatidyl-L-serine namespace: chebi_ontology alt_id: CHEBI:14801 alt_id: CHEBI:26041 alt_id: CHEBI:8137 def: "A class of aminophospholipids in which a phosphatidyl group is esterified to the hydroxy group of serine." [] subset: 3_STAR synonym: "phosphatidyl-L-serines" RELATED [ChEBI] synonym: "Phosphatidylserine" RELATED [KEGG_COMPOUND] synonym: "PS" RELATED [ChEBI] synonym: "Ptd-L-Ser" RELATED [ChEBI] xref: DrugBank:DB00144 xref: HMDB:HMDB0014291 xref: KEGG:C02737 xref: MetaCyc:L-1-PHOSPHATIDYL-SERINE xref: Patent:EP2322184 xref: Patent:HK1046237 xref: Patent:US2011098249 xref: PMID:10540156 {source="Europe PMC"} xref: PMID:15533308 {source="Europe PMC"} xref: PMID:19687511 {source="Europe PMC"} xref: PMID:23543734 {source="Europe PMC"} xref: PMID:3106116 {source="Europe PMC"} xref: PMID:3196084 {source="Europe PMC"} xref: PMID:4153523 {source="Europe PMC"} xref: PMID:8204602 {source="Europe PMC"} xref: PMID:8626656 {source="Europe PMC"} xref: PMID:9677350 {source="Europe PMC"} xref: Wikipedia:Phosphatidylserine is_a: CHEBI:16247 ! phospholipid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H12NO10P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "313.156" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "313.01988" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(C(COP(=O)(OC[C@@H](C(=O)O)N)O)OC(=O)*)OC(=O)*" xsd:string [Term] id: CHEBI:18305 name: hydroquinone O-beta-D-glucopyranoside name: hydroquinone O-β-D-glucopyranoside namespace: chebi_ontology alt_id: CHEBI:14417 alt_id: CHEBI:2806 def: "A monosaccharide derivative that is hydroquinone attached to a beta-D-glucopyranosyl residue at position 4 via a glycosidic linkage." [] subset: 3_STAR synonym: "4-hydroxyphenyl beta-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "Arbutin" RELATED [KEGG_COMPOUND] synonym: "arbutin" RELATED [] synonym: "hydroquinone O-beta-D-glucopyranoside" EXACT [UniProt] synonym: "Hydroquinone-O-beta-D-glucopyranoside" RELATED [KEGG_COMPOUND] synonym: "p-hydroxyphenyl beta-D-glucopyranoside" RELATED [ChemIDplus] synonym: "p-hydroxyphenyl beta-D-glucoside" RELATED [ChemIDplus] synonym: "Ursin" RELATED [KEGG_COMPOUND] synonym: "Uvasol" RELATED [KEGG_COMPOUND] xref: Beilstein:89673 {source="Beilstein"} xref: CAS:497-76-7 {source="ChemIDplus"} xref: CAS:497-76-7 {source="KEGG COMPOUND"} xref: Drug_Central:4267 {source="DrugCentral"} xref: HMDB:HMDB0029943 xref: KEGG:C06186 xref: KNApSAcK:C00002638 xref: LINCS:LSM-5255 xref: MetaCyc:HYDROQUINONE-O-BETA-D-GLUCOPYRANOSIDE xref: PMID:15287073 {source="Europe PMC"} xref: PMID:9518563 {source="Europe PMC"} xref: Reaxys:89673 {source="Reaxys"} xref: Wikipedia:Arbutin is_a: CHEBI:166890 ! phenolic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H16O7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BJRNKVDFDLYUGJ-RMPHRYRLSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "272.25120" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "272.08960" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O" xsd:string [Term] id: CHEBI:18330 name: isovitexin namespace: chebi_ontology alt_id: CHEBI:14482 alt_id: CHEBI:22806 alt_id: CHEBI:2771 def: "A C-glycosyl compound that consists of apigenin substituted by a 1,5-anhydro-D-glucitol moiety at position 6." [] subset: 3_STAR synonym: "(1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol" EXACT IUPAC_NAME [IUPAC] synonym: "6-C-Glucosylapigenin" RELATED [KEGG_COMPOUND] synonym: "6-Glucosylapigenin" RELATED [ChemIDplus] synonym: "Apigenin 6-C-glucoside" RELATED [KEGG_COMPOUND] synonym: "Apigenin-6-C-glucoside" RELATED [KEGG_COMPOUND] synonym: "beta-D-isovitexin" RELATED [ChEBI] synonym: "Isovitexin" EXACT [KEGG_COMPOUND] synonym: "Saponaretin" RELATED [KEGG_COMPOUND] xref: Beilstein:66651 {source="Beilstein"} xref: CAS:29702-25-8 {source="KEGG COMPOUND"} xref: CAS:38953-85-4 {source="KEGG COMPOUND"} xref: KEGG:C01714 xref: KNApSAcK:C00001059 xref: LIPID_MAPS_instance:LMPK12110338 {source="LIPID MAPS"} xref: MetaCyc:ISOVITEXIN xref: PMID:16142640 {source="Europe PMC"} xref: PMID:22475010 {source="Europe PMC"} xref: PMID:22683902 {source="Europe PMC"} xref: PMID:23057589 {source="Europe PMC"} xref: Reaxys:66651 {source="Reaxys"} xref: Wikipedia:Isovitexin is_a: CHEBI:42491 ! flavone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H20O10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MYXNWGACZJSMBT-VJXVFPJBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "432.37750" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "432.10565" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1" xsd:string [Term] id: CHEBI:18388 name: apigenin namespace: chebi_ontology alt_id: CHEBI:12084 alt_id: CHEBI:22588 alt_id: CHEBI:2768 def: "A trihydroxyflavone that is flavone substituted by hydroxy groups at positions 4', 5 and 7. It induces autophagy in leukaemia cells." [] subset: 3_STAR synonym: "2-(p-hydroxyphenyl)-5,7-dihydroxychromone" RELATED [ChemIDplus] synonym: "4',5,7-Trihydroxyflavone" RELATED [KEGG_COMPOUND] synonym: "5,7,4'-Trihydroxyflavone" RELATED [KEGG_COMPOUND] synonym: "5,7-dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone" RELATED [ChemIDplus] synonym: "5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one" RELATED [ChemIDplus] synonym: "5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "Apigenin" EXACT [KEGG_COMPOUND] synonym: "C.I. Natural Yellow 1" RELATED [ChemIDplus] synonym: "chamomile" RELATED [ChEBI] synonym: "spigenin" RELATED [ChEBI] synonym: "versulin" RELATED [ChEBI] xref: Beilstein:262620 {source="Beilstein"} xref: CAS:520-36-5 {source="ChemIDplus"} xref: CAS:520-36-5 {source="KEGG COMPOUND"} xref: HMDB:HMDB0002124 xref: KEGG:C01477 xref: KNApSAcK:C00003817 xref: LINCS:LSM-5206 xref: LIPID_MAPS_instance:LMPK12110005 {source="LIPID MAPS"} xref: MetaCyc:CPD-431 xref: PDBeChem:AGI xref: PMID:23304222 {source="Europe PMC"} xref: PMID:23344191 {source="Europe PMC"} xref: PMID:23354402 {source="Europe PMC"} xref: PMID:23359392 {source="Europe PMC"} xref: PMID:28166217 {source="Europe PMC"} xref: Reaxys:262620 {source="Reaxys"} xref: Wikipedia:Apigenin is_a: CHEBI:42491 ! flavone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H10O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KZNIFHPLKGYRTM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "270.23690" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "270.05282" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1" xsd:string [Term] id: CHEBI:18394 name: 6-O-alpha-D-glucopyranosyl-D-fructofuranose name: 6-O-α-D-glucopyranosyl-D-fructofuranose namespace: chebi_ontology alt_id: CHEBI:12197 alt_id: CHEBI:20686 alt_id: CHEBI:7893 def: "A glycosylfructose that is D-fructofuranose attached to a alpha-D-glucopyranosyl unit at position 6 via a glycosidic linkage. It is found in honey and sugarcane." [] subset: 3_STAR synonym: "6-O-alpha-D-Glucopyranosyl-D-fructofuranose" EXACT [KEGG_COMPOUND] synonym: "6-O-alpha-D-glucopyranosyl-D-fructofuranose" EXACT IUPAC_NAME [IUPAC] synonym: "6-O-alpha-D-glucopyranosyl-D-fructose" RELATED [UniProt] synonym: "isomaltulose" RELATED [ChEBI] synonym: "isomaltulose" RELATED [] synonym: "Palatinose" RELATED [KEGG_COMPOUND] xref: Beilstein:1435314 {source="Beilstein"} xref: CAS:13718-94-0 {source="KEGG COMPOUND"} xref: CAS:15132-06-6 {source="KEGG COMPOUND"} xref: KEGG:C01742 xref: KEGG:G01241 xref: MetaCyc:CPD-230 xref: Patent:EP1328647 xref: Patent:WO0218603 xref: PMID:17548953 {source="Europe PMC"} xref: PMID:21895946 {source="Europe PMC"} xref: PMID:22133441 {source="Europe PMC"} xref: PMID:22264450 {source="Europe PMC"} xref: PMID:24866943 {source="Europe PMC"} xref: Reaxys:1435314 {source="Reaxys"} is_a: CHEBI:36233 ! disaccharide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H22O11" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11+,12?/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PVXPPJIGRGXGCY-TZLCEDOOSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "342.29648" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "342.11621" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@H](OC[C@H]2OC(O)(CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O" xsd:string [Term] id: CHEBI:18420 name: magnesium(2+) namespace: chebi_ontology alt_id: CHEBI:13379 alt_id: CHEBI:25112 alt_id: CHEBI:49736 alt_id: CHEBI:6635 subset: 3_STAR synonym: "magnesium cation" EXACT IUPAC_NAME [IUPAC] synonym: "MAGNESIUM ION" RELATED [PDBeChem] synonym: "magnesium(2+)" EXACT IUPAC_NAME [IUPAC] synonym: "magnesium(2+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "magnesium(II) cation" EXACT IUPAC_NAME [IUPAC] synonym: "magnesium, doubly charged positive ion" RELATED [NIST_Chemistry_WebBook] synonym: "magnesium, ion (Mg(2+))" RELATED [ChemIDplus] synonym: "Mg(2+)" RELATED [IUPAC] synonym: "Mg(2+)" RELATED [UniProt] synonym: "Mg2+" RELATED [KEGG_COMPOUND] xref: CAS:22537-22-0 {source="ChemIDplus"} xref: CAS:22537-22-0 {source="NIST Chemistry WebBook"} xref: Gmelin:6857 {source="Gmelin"} xref: KEGG:C00305 xref: PDBeChem:MG xref: PMID:24259558 {source="Europe PMC"} is_a: CDNO:0000017 ! dietary magnesium property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Mg" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Mg/q+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JLVVSXFLKOJNIY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "24.30500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "23.98394" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Mg++]" xsd:string [Term] id: CHEBI:18422 name: sulfur dioxide namespace: chebi_ontology alt_id: CHEBI:45789 alt_id: CHEBI:8992 alt_id: CHEBI:9351 subset: 3_STAR synonym: "[SO2]" RELATED [IUPAC] synonym: "dioxidosulfur" EXACT IUPAC_NAME [IUPAC] synonym: "R-764" RELATED [ChEBI] synonym: "Schwefel(IV)-oxid" RELATED [ChEBI] synonym: "Schwefeldioxid" RELATED [ChemIDplus] synonym: "SO2" RELATED [IUPAC] synonym: "SO2" RELATED [KEGG_COMPOUND] synonym: "SULFUR DIOXIDE" EXACT [PDBeChem] synonym: "Sulfur dioxide" EXACT [KEGG_COMPOUND] synonym: "sulfur dioxide" EXACT IUPAC_NAME [IUPAC] synonym: "sulfurous anhydride" RELATED [NIST_Chemistry_WebBook] synonym: "sulfurous oxide" RELATED [NIST_Chemistry_WebBook] synonym: "sulphur dioxide" RELATED [NIST_Chemistry_WebBook] xref: CAS:7446-09-5 {source="ChemIDplus"} xref: CAS:7446-09-5 {source="NIST Chemistry WebBook"} xref: CAS:7446-09-5 {source="KEGG COMPOUND"} xref: Gmelin:1443 {source="Gmelin"} xref: KEGG:C05532 xref: KEGG:C09306 xref: KEGG:D05961 xref: PDBeChem:SO2 is_a: CHEBI:33261 ! organosulfur compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O2S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/O2S/c1-3-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RAHZWNYVWXNFOC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "64.06480" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "63.96190" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=S=O" xsd:string [Term] id: CHEBI:189560 name: xanthan namespace: chebi_ontology def: "Xanthan gum is a polysaccharide produced by the bacteria Xanthomonas campestris. It is composed of pentasaccharide repeat units, comprising two glucose units, two mannose units, and one glucuronic acid unit. Its main chain consists of beta-D-glucose units linked at the 1 and 4 positions. Trisaccharide side chains contain a D-glucuronic acid unit between two D-mannose units linked at the O-3 position of every other glucose residue in the main chain. Approximately one-half of the terminal D-mannose contains a pyruvic acid residue linked via keto group to the 4 and 6 positions, with an unknown distribution. D-Mannose unit linked to the main chain contains an acetyl group at position O-6." [] subset: 2_STAR synonym: "xanthan" EXACT [UniProt] xref: PMID:14538095 {source="SUBMITTER"} is_a: CDNO:0000031 ! gum [Term] id: CHEBI:190294 name: calcium silicate namespace: chebi_ontology def: "Calcium silicate is the chemical compound Ca2SiO4, also known as calcium orthosilicate." [] subset: 2_STAR synonym: "Calcium orthosilicate" RELATED [SUBMITTER] xref: CAS:1344-95-2 {source="SUBMITTER"} xref: Wikipedia:https\://en.wikipedia.org/wiki/Calcium_silicate {source="SUBMITTER"} is_a: CHEBI:190295 ! inorganic calcium salt property_value: http://purl.obolibrary.org/obo/chebi/charge "-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O4Si.Ca" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ca.O4Si/c;1-5(2,3)4/q+2;-4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WNTUHHDFEFNVBW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "132.160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "131.92027" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ca+2].[Si]([O-])([O-])([O-])[O-]" xsd:string [Term] id: CHEBI:190295 name: inorganic calcium salt namespace: chebi_ontology def: "A calcium salt that lacks C-H bonds" [] subset: 2_STAR xref: PMID:28457049 {source="SUBMITTER"} is_a: CDNO:0000015 ! dietary calcium [Term] id: CHEBI:190296 name: calcium stearate namespace: chebi_ontology def: "a carboxylate salt of calcium, classified as a calcium soap. The salt is a component of some lubricants, surfactant. C36H70CaO4" [] subset: 2_STAR synonym: "Calcium octadecanoate, Calcium distearate" RELATED [SUBMITTER] xref: CAS:1592-23-0 {source="SUBMITTER"} xref: Wikipedia:https\://en.wikipedia.org/wiki/Calcium_stearate {source="SUBMITTER"} is_a: CHEBI:51031 ! organic calcium salt property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H35O2.C18H35O2.Ca" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2C18H36O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CJZGTCYPCWQAJB-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "607.030" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "606.49000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ca+2].[O-]C(=O)C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C([H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H].[O-]C(=O)C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C([H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H]" xsd:string [Term] id: CHEBI:190297 name: inorganic magnesium salt namespace: chebi_ontology def: "A magnesium salt that lacks C-H bonds" [] subset: 2_STAR xref: PMID:16548135 {source="SUBMITTER"} is_a: CDNO:0000017 ! dietary magnesium [Term] id: CHEBI:190298 name: magnesium phosphate namespace: chebi_ontology def: "A magnesium salt with C-H bonds" [] subset: 2_STAR synonym: "TRIMAGNESIUM PHOSPHATE" RELATED [SUBMITTER] xref: CAS:7757-87-1 {source="SUBMITTER"} xref: PDBeChem:https\://pubchem.ncbi.nlm.nih.gov/compound/Magnesium-phosphate {source="SUBMITTER"} is_a: CHEBI:190297 ! inorganic magnesium salt is_a: CHEBI:190300 ! inorganic phosphate salt property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O4P.O4P.Mg.Mg.Mg" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/3Mg.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GVALZJMUIHGIMD-UHFFFAOYSA-H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "262.855" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "261.86197" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "P([O-])([O-])([O-])=O.P([O-])([O-])([O-])=O.[Mg+2].[Mg+2].[Mg+2]" xsd:string [Term] id: CHEBI:190299 name: organic magnesium salt namespace: chebi_ontology def: "A magnesium salt with C-H bonds" [] subset: 2_STAR is_a: CDNO:0000017 ! dietary magnesium [Term] id: CHEBI:190300 name: inorganic phosphate salt namespace: chebi_ontology def: "A phosphate salt that lacks C-H bonds" [] subset: 2_STAR xref: PMID:11434984 {source="SUBMITTER"} is_a: CDNO:0000018 ! dietary phosphorus [Term] id: CHEBI:190301 name: potassium phosphate namespace: chebi_ontology subset: 2_STAR xref: CAS:7778-53-2 {source="SUBMITTER"} is_a: CHEBI:190300 ! inorganic phosphate salt is_a: CHEBI:190303 ! inorganic potassium salt property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O4P.K.K.K" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/3K.H3O4P/c;;;1-5(2,3)4/h;;;(H3,1,2,3,4)/q3*+1;/p-3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LWIHDJKSTIGBAC-UHFFFAOYSA-K" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "212.265" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "211.84454" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[K+].[K+].[K+].P([O-])([O-])([O-])=O" xsd:string [Term] id: CHEBI:190302 name: organic phosphate salt namespace: chebi_ontology def: "A phosphate salt with C-H bonds" [] subset: 2_STAR is_a: CDNO:0000018 ! dietary phosphorus [Term] id: CHEBI:190303 name: inorganic potassium salt namespace: chebi_ontology def: "A potassium salt that lacks C-H bonds" [] subset: 2_STAR is_a: CDNO:0000019 ! dietary potassium [Term] id: CHEBI:190412 name: inorganic chromium salt is_a: CDNO:0000022 ! dietary chromium [Term] id: CHEBI:190413 name: organic chromium salt is_a: CDNO:0000022 ! dietary chromium [Term] id: CHEBI:190414 name: inorganic copper salt is_a: CDNO:0000023 ! dietary copper [Term] id: CHEBI:190415 name: organic copper salt is_a: CDNO:0000023 ! dietary copper [Term] id: CHEBI:190416 name: inorganic fluoride salt is_a: CDNO:0000024 ! dietary fluorine [Term] id: CHEBI:190417 name: organic fluoride salt is_a: CDNO:0000024 ! dietary fluorine [Term] id: CHEBI:190418 name: inorganic iodine salt is_a: CDNO:0000025 ! dietary iodine [Term] id: CHEBI:190419 name: organic iodine salt is_a: CDNO:0000025 ! dietary iodine [Term] id: CHEBI:190420 name: inorganic iron salt is_a: CDNO:0000026 ! dietary iron [Term] id: CHEBI:190421 name: organic iron salt is_a: CDNO:0000026 ! dietary iron [Term] id: CHEBI:190422 name: inorganic manganese salt is_a: CDNO:0000027 ! dietary manganese [Term] id: CHEBI:190423 name: organic manganese salt is_a: CDNO:0000027 ! dietary manganese [Term] id: CHEBI:190424 name: inorganic molybdenum salt is_a: CDNO:0000028 ! dietary molybdenum [Term] id: CHEBI:190425 name: organic molybdenum salt is_a: CDNO:0000028 ! dietary molybdenum [Term] id: CHEBI:190426 name: selenium(4+) is_a: CDNO:0000029 ! dietary selenium [Term] id: CHEBI:190427 name: selenium(6+) is_a: CDNO:0000029 ! dietary selenium [Term] id: CHEBI:190428 name: inorganic selenium salt is_a: CDNO:0000029 ! dietary selenium [Term] id: CHEBI:190429 name: organic selenium salt is_a: CDNO:0000029 ! dietary selenium [Term] id: CHEBI:190430 name: inorganic zinc salt is_a: CDNO:0000030 ! dietary zinc [Term] id: CHEBI:190431 name: organic zinc salt is_a: CDNO:0000030 ! dietary zinc [Term] id: CHEBI:190496 name: titanium(3+) is_a: CDNO:0000012 ! trace element [Term] id: CHEBI:190513 name: calcium citrate is_a: CHEBI:51031 ! organic calcium salt [Term] id: CHEBI:190515 name: organic calcium compound is_a: CDNO:0000015 ! dietary calcium [Term] id: CHEBI:190516 name: organic phosphate compound is_a: CDNO:0000018 ! dietary phosphorus [Term] id: CHEBI:190517 name: organic iron compound is_a: CDNO:0000026 ! dietary iron [Term] id: CHEBI:190519 name: beta-lactoglobulin comment: Further classification will be integrated for this class is_a: CHEBI:36080 ! protein [Term] id: CHEBI:190521 name: napin comment: Further classification will be integrated for this class is_a: CHEBI:36080 ! protein [Term] id: CHEBI:190522 name: gliadin comment: Further classification will be integrated for this class is_a: CHEBI:36080 ! protein [Term] id: CHEBI:2197 name: 6-hydroxyluteolin namespace: chebi_ontology def: "A pentahydroxyflavone that is luteolin with an additional hydroxy group at position 6." [] subset: 3_STAR synonym: "2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-4H-1-benzopyran-4-one" RELATED [ChEBI] synonym: "2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "3',4',5,6,7-Pentahydroxyflavone" RELATED [ChemIDplus] synonym: "4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,6,7-trihydroxy-" RELATED [ChemIDplus] synonym: "5,6,7,3',4'-Pentahydroxyflavone" RELATED [KEGG_COMPOUND] synonym: "6-Hydroxyluteolin" EXACT [KEGG_COMPOUND] xref: CAS:18003-33-3 {source="ChemIDplus"} xref: CAS:18003-33-3 {source="KEGG COMPOUND"} xref: KEGG:C10072 xref: KNApSAcK:C00003884 xref: LIPID_MAPS_instance:LMPK12111229 {source="LIPID MAPS"} xref: PMID:10048707 {source="Europe PMC"} xref: PMID:12693635 {source="Europe PMC"} xref: PMID:19666078 {source="Europe PMC"} xref: PMID:21236437 {source="Europe PMC"} xref: Reaxys:308129 {source="Reaxys"} is_a: CHEBI:42491 ! flavone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H10O7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H10O7/c16-7-2-1-6(3-8(7)17)11-4-9(18)13-12(22-11)5-10(19)14(20)15(13)21/h1-5,16-17,19-21H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VYAKIUWQLHRZGK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "302.23570" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "302.04265" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccc(cc1O)-c1cc(=O)c2c(O)c(O)c(O)cc2o1" xsd:string [Term] id: CHEBI:22315 name: alkaloid namespace: chebi_ontology def: "Any of the naturally occurring, basic nitrogen compounds (mostly heterocyclic) occurring mostly in the plant kingdom, but also found in bacteria, fungi, and animals. By extension, certain neutral compounds biogenetically related to basic alkaloids are also classed as alkaloids. Amino acids, peptides, proteins, nucleotides, nucleic acids, amino sugars and antibiotics are not normally regarded as alkaloids. Compounds in which the nitrogen is exocyclic (dopamine, mescaline, serotonin, etc.) are usually classed as amines rather than alkaloids." [] subset: 3_STAR synonym: "alcaloide" RELATED [ChEBI] synonym: "alcaloides" RELATED [ChEBI] synonym: "Alkaloid" EXACT [ChEBI] synonym: "Alkaloide" RELATED [ChEBI] synonym: "alkaloids" EXACT IUPAC_NAME [IUPAC] xref: Wikipedia:Alkaloid is_a: CDNO:0000013 ! plant secondary metabolite [Term] id: CHEBI:22470 name: alpha-tocopherol name: α-tocopherol namespace: chebi_ontology def: "A tocopherol that is chroman-6-ol substituted by methyl groups at positions 2, 5, 7 and 8 and a 4,8,12-trimethyltridecyl group at position 2." [] subset: 3_STAR synonym: "(+-)-alpha-tocopherol" RELATED [ChEBI] synonym: "(+-)-alpha-tocopherol" RELATED [ChemIDplus] synonym: "2,5,7,8-tetramethyl-2-(4',8',12'-trimethyltridecyl)-6-chromanol" RELATED [ChemIDplus] synonym: "all-rac-alpha-tocopherol" RELATED [ChEBI] synonym: "alpha-tocopherol" EXACT [] synonym: "dl-alpha-tocopherol" RELATED [ChemIDplus] synonym: "E 307" RELATED [ChEBI] synonym: "E-307" RELATED [ChEBI] synonym: "E307" RELATED [ChEBI] synonym: "rel-(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:8176170 {source="Beilstein"} xref: CAS:10191-41-0 {source="ChemIDplus"} xref: KEGG:D02332 xref: PMID:23949732 {source="Europe PMC"} xref: PMID:24683365 {source="Europe PMC"} xref: Wikipedia:Alpha-Tocopherol is_a: CHEBI:27013 ! tocopherol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C29H50O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "430.707" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "430.38108" xsd:string [Term] id: CHEBI:22580 name: anthraquinone namespace: chebi_ontology subset: 3_STAR synonym: "anthracenequinones" RELATED [ChEBI] synonym: "anthraquinones" RELATED [ChEBI] is_a: CHEBI:26776 ! stilbenoid [Term] id: CHEBI:22590 name: arabinan namespace: chebi_ontology def: "A polysaccharide composed of arabinose residues." [] subset: 3_STAR synonym: "alpha-L-Araban" RELATED [KEGG_COMPOUND] synonym: "alpha-L-Arabinan" RELATED [KEGG_COMPOUND] synonym: "arabinans" RELATED [ChEBI] xref: KEGG:C02474 xref: KEGG:G10584 is_a: CHEBI:18154 ! polysaccharide [Term] id: CHEBI:22599 name: arabinose namespace: chebi_ontology alt_id: CHEBI:33943 subset: 3_STAR synonym: "Ara" RELATED [JCBN] synonym: "arabino-pentose" EXACT IUPAC_NAME [IUPAC] synonym: "arabinose" EXACT [ChEBI] synonym: "arabinose" EXACT IUPAC_NAME [IUPAC] xref: CAS:147-81-9 {source="ChemIDplus"} xref: HMDB:HMDB0029942 xref: Wikipedia:Arabinose is_a: CHEBI:35381 ! monosaccharide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "150.12990" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "150.05282" xsd:string [Term] id: CHEBI:22652 name: ascorbic acid namespace: chebi_ontology subset: 3_STAR is_a: CHEBI:64709 ! organic acid [Term] id: CHEBI:22653 name: asparagine namespace: chebi_ontology def: "An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 2-amino-2-oxoethyl group." [] subset: 3_STAR synonym: "2,4-diamino-4-oxobutanoic acid" RELATED [IUPAC] synonym: "2-amino-3-carbamoylpropanoic acid" RELATED [JCBN] synonym: "ASN" RELATED [ChEBI] synonym: "Asn" RELATED [ChEBI] synonym: "Asparagin" RELATED [ChEBI] synonym: "asparagina" RELATED [ChEBI] synonym: "asparagine" EXACT IUPAC_NAME [IUPAC] synonym: "DL-Asparagine" RELATED [KEGG_COMPOUND] synonym: "Hasp" RELATED [IUPAC] synonym: "N" RELATED [ChEBI] xref: Beilstein:1723525 {source="Beilstein"} xref: CAS:3130-87-8 {source="ChemIDplus"} xref: Gmelin:279043 {source="Gmelin"} xref: KEGG:C16438 xref: PMID:22264337 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: Reaxys:1723525 {source="Reaxys"} xref: Wikipedia:Asparagine is_a: CHEBI:33709 ! amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H8N2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DCXYFEDJOCDNAF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "132.11800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "132.05349" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(CC(N)=O)C(O)=O" xsd:string [Term] id: CHEBI:22660 name: aspartic acid namespace: chebi_ontology def: "An alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent" [] subset: 3_STAR synonym: "(+-)-Aspartic acid" RELATED [ChemIDplus] synonym: "(R,S)-Aspartic acid" RELATED [ChemIDplus] synonym: "2-aminobutanedioic acid" RELATED [IUPAC] synonym: "Asp" RELATED [ChEBI] synonym: "Aspartic acid" EXACT [KEGG_COMPOUND] synonym: "aspartic acid" EXACT IUPAC_NAME [IUPAC] synonym: "D" RELATED [ChEBI] synonym: "DL-Aminosuccinic acid" RELATED [ChemIDplus] synonym: "DL-Asparagic acid" RELATED [ChemIDplus] xref: Beilstein:774618 {source="Beilstein"} xref: CAS:617-45-8 {source="KEGG COMPOUND"} xref: CAS:617-45-8 {source="NIST Chemistry WebBook"} xref: CAS:617-45-8 {source="ChemIDplus"} xref: Gmelin:185140 {source="Gmelin"} xref: KEGG:C16433 xref: PMID:22264337 {source="Europe PMC"} xref: Reaxys:774618 {source="Reaxys"} xref: Wikipedia:Aspartic_acid is_a: CHEBI:33709 ! amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H7NO4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CKLJMWTZIZZHCS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "133.10272" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "133.03751" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(CC(O)=O)C(O)=O" xsd:string [Term] id: CHEBI:22798 name: beta-D-glucoside name: β-D-glucoside namespace: chebi_ontology alt_id: CHEBI:10400 def: "Any D-glucoside in which the anomeric centre has beta-configuration." [] subset: 3_STAR synonym: "a beta-D-glucoside" RELATED [UniProt] synonym: "beta-D-glucoside" EXACT [ChEBI] synonym: "beta-d-glucoside" RELATED [] synonym: "beta-D-glucosides" RELATED [ChEBI] xref: KEGG:C00963 is_a: CHEBI:38697 ! anthocyanin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H11O6R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "179.148" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "179.05556" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[C@@H]1(O[C@H]([C@H](O)[C@H]([C@@H]1O)O)O*)CO" xsd:string [Term] id: CHEBI:23042 name: carotene namespace: chebi_ontology def: "Hydrocarbon carotenoids." [] subset: 3_STAR synonym: "carotene" EXACT [ChEBI] synonym: "carotenes" EXACT IUPAC_NAME [IUPAC] synonym: "carotenes" RELATED [ChEBI] is_a: CHEBI:35193 ! tetraterpene [Term] id: CHEBI:23044 name: carotenoid namespace: chebi_ontology def: "One of a class of tetraterpenoids (C40), formally derived from the acyclic parent, psi,psi-carotene by hydrogenation, dehydrogenation, cyclization, oxidation, or combination of these processes. This class includes carotenes, xanthophylls and certain compounds that arise from rearrangement of the skeleton of psi,psi-carotene or by loss of part of this structure. Retinoids are excluded." [] subset: 3_STAR synonym: "carotenes and carotenoids" RELATED [ChemIDplus] synonym: "carotenoid" EXACT IUPAC_NAME [IUPAC] synonym: "carotenoids" RELATED [ChEBI] xref: CAS:36-88-4 {source="ChemIDplus"} is_a: CHEBI:26935 ! tetraterpenoid [Term] id: CHEBI:23053 name: catechin namespace: chebi_ontology def: "Members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives." [] subset: 3_STAR synonym: "(+/-)-Catechin" RELATED [KEGG_COMPOUND] synonym: "catechin" EXACT [ChEBI] synonym: "catechins" RELATED [ChEBI] xref: KEGG:C17590 xref: LINCS:LSM-1682 is_a: CHEBI:72010 ! hydroxyflavan property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H14O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PFTAWBLQPZVEMU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "290.269" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "290.07904" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(C=2C=C(C(O)=CC2)O)OC=3C(=C(C=C(C3)O)O)CC1O" xsd:string [Term] id: CHEBI:23055 name: catechol melanin namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:89634 ! Melanin [Term] id: CHEBI:23086 name: chalcone name: chalcones namespace: chebi_ontology def: "A ketone that is 1,3-diphenylpropenone (benzylideneacetophenone), ArCH=CH(=O)Ar, and its derivatives formed by substitution." [] subset: 3_STAR synonym: "chalcones" EXACT IUPAC_NAME [IUPAC] synonym: "chalconoid" RELATED [ChEBI] synonym: "chalconoids" RELATED [ChEBI] xref: KEGG:C15589 is_a: CHEBI:47916 ! flavonoid [Term] id: CHEBI:23238 name: chromones namespace: chebi_ontology def: "A chromenone that consists of a 1,4-benzopyrone skeleton and its substituted derivatives thereof." [] subset: 3_STAR synonym: "1,4-benzopyrones" RELATED [ChEBI] is_a: CHEBI:24689 ! hydroxycinnamic acid [Term] id: CHEBI:23401 name: coumaric acid namespace: chebi_ontology def: "A monohydroxycinnamic acid that is prop-2-enoic acid substituted by a hydroxyphenyl group at position 3." [] subset: 3_STAR synonym: "3-(hydroxyphenyl)-2-propenoic acid" RELATED [ChemIDplus] synonym: "3-(hydroxyphenyl)prop-2-enoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "hydroxycinnamic acid" RELATED [ChEBI] xref: CAS:25429-38-3 {source="ChemIDplus"} is_a: CHEBI:24689 ! hydroxycinnamic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H8O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "164.158" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "164.04734" xsd:string [Term] id: CHEBI:23414 name: copper(II) sulfate namespace: chebi_ontology def: "A metal sulfate compound having copper(2+) as the metal ion." [] subset: 3_STAR synonym: "copper sulfate" RELATED [ChemIDplus] synonym: "copper(2+) sulfate" EXACT IUPAC_NAME [IUPAC] synonym: "Copper(II) sulfate" EXACT [KEGG_COMPOUND] synonym: "copper(II) sulfate" EXACT IUPAC_NAME [IUPAC] synonym: "Cupric sulfate" RELATED [ChemIDplus] synonym: "cupric sulfate anhydrous" RELATED [ChemIDplus] synonym: "CuSO4" RELATED [IUPAC] xref: CAS:7758-98-7 {source="ChemIDplus"} xref: CAS:7758-98-7 {source="KEGG COMPOUND"} xref: Gmelin:8294 {source="Gmelin"} xref: KEGG:C18713 xref: PMID:10469300 {source="Europe PMC"} xref: PMID:29079364 {source="Europe PMC"} xref: PMID:8566016 {source="Europe PMC"} xref: PPDB:178 xref: Wikipedia:Copper(II)_sulfate is_a: CHEBI:190414 ! inorganic copper salt is_a: CHEBI:24840 ! inorganic sulfate salt property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CuO4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Cu.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ARUVKPQLZAKDPS-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "159.60960" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "158.88133" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cu++].[O-]S([O-])(=O)=O" xsd:string [Term] id: CHEBI:23456 name: cyclodextrin namespace: chebi_ontology def: "A macrocycle composed of five or more D-glucopyranose units bonded via (1->4)-linkages." [] subset: 3_STAR synonym: "cyclodextrins" RELATED [ChEBI] xref: Wikipedia:Cyclodextrin is_a: CHEBI:25140 ! maltodextrin [Term] id: CHEBI:23652 name: dextrins namespace: chebi_ontology def: "Glucans produced by the hydrolysis of starch or glycogen. They are mixtures of polymers of D-glucose units linked by alpha(1->4) or alpha(1->6) glycosidic bonds." [] subset: 3_STAR is_a: CHEBI:37163 ! glucan [Term] id: CHEBI:23849 name: diterpenoid namespace: chebi_ontology def: "Any terpenoid derived from a diterpene. The term includes compounds in which the C20 skeleton of the parent diterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups)." [] subset: 3_STAR synonym: "C20 isoprenoids" RELATED [LIPID_MAPS] synonym: "diterpenoides" RELATED [ChEBI] synonym: "diterpenoids" EXACT IUPAC_NAME [IUPAC] xref: LIPID_MAPS_class:LMPR0104 {source="LIPID MAPS"} is_a: CHEBI:26873 ! terpenoid [Term] id: CHEBI:23909 name: ellagitannin namespace: chebi_ontology def: "A form of hydrolysable tannin produced from ellagic acid. Ellagitannins are glucosides which are readily hydrolysed by water to regenerate ellagic acid when the plants are eaten." [] subset: 3_STAR synonym: "ellagitannins" RELATED [ChEBI] xref: Wikipedia:Ellagitannin is_a: CHEBI:26848 ! tannin [Term] id: CHEBI:24174 name: galacturonan namespace: chebi_ontology alt_id: CHEBI:5260 subset: 3_STAR synonym: "galacturonans" RELATED [ChEBI] is_a: CHEBI:18154 ! polysaccharide [Term] id: CHEBI:24182 name: gallotannin namespace: chebi_ontology def: "A class of hydrolysable tannins obtained by condensation of the carboxy group of gallic acid (and its polymeric derivatives) with the hydroxy groups of a monosaccharide (most commonly glucose)." [] subset: 3_STAR synonym: "1,3,6-Tri-o-galloyl-beta-D-glucose" RELATED [KEGG_COMPOUND] synonym: "gallotannins" RELATED [ChEBI] xref: CAS:18483-17-5 {source="KEGG COMPOUND"} xref: KEGG:C17458 xref: Wikipedia:Gallotannin is_a: CHEBI:26848 ! tannin [Term] id: CHEBI:24278 name: glucoside namespace: chebi_ontology subset: 3_STAR synonym: "glucosides" RELATED [ChEBI] is_a: CHEBI:50753 ! isoflavonoid [Term] id: CHEBI:24385 name: glycoglycerolipid namespace: chebi_ontology subset: 3_STAR synonym: "glycoglycerolipids" RELATED [ChEBI] is_a: CHEBI:33563 ! glycolipid [Term] id: CHEBI:24401 name: glucosinolate name: glycosinolate namespace: chebi_ontology def: "An sulfur oxoanion resulting from the deprotonation of the hydroxy group attached to the sulfur of a glycosinolic acid." [] subset: 3_STAR synonym: "glycosinolate" EXACT [ChEBI] synonym: "glycosinolates" RELATED [ChEBI] is_a: CHEBI:33261 ! organosulfur compound [Term] id: CHEBI:24676 name: hydroxybenzoic acid namespace: chebi_ontology alt_id: CHEBI:50778 def: "Any benzoic acid carrying one or more phenolic hydroxy groups on the benzene ring." [] subset: 3_STAR synonym: "hydroxybenzoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "hydroxybenzoic acids" RELATED [ChEBI] is_a: CHEBI:166890 ! phenolic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H6O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "138.121" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "138.03169" xsd:string [Term] id: CHEBI:24689 name: hydroxycinnamic acid namespace: chebi_ontology def: "Any member of the class of cinnamic acids carrying one or more hydroxy substituents." [] subset: 3_STAR synonym: "hydroxycinnamates" RELATED [] synonym: "hydroxycinnamic acids" RELATED [ChEBI] is_a: CDNO:0000013 ! plant secondary metabolite [Term] id: CHEBI:24741 name: hydroxyproline namespace: chebi_ontology def: "A proline derivative that is proline substituted by at least one hydroxy group." [] subset: 3_STAR is_a: CHEBI:33709 ! amino acid [Term] id: CHEBI:24840 name: inorganic sulfate salt namespace: chebi_ontology subset: 3_STAR synonym: "inorganic sulfate salts" RELATED [ChEBI] synonym: "inorganic sulfates" RELATED [ChEBI] is_a: CDNO:0000021 ! dietary sulfur [Term] id: CHEBI:24848 name: inositol namespace: chebi_ontology def: "Any cyclohexane-1,2,3,4,5,6-hexol." [] subset: 3_STAR synonym: "1,2,3,4,5,6-cyclohexanehexol" RELATED [ChEBI] synonym: "inositol" EXACT [IUBMB] synonym: "inositols" EXACT IUPAC_NAME [IUPAC] synonym: "inositols" RELATED [ChEBI] is_a: CDNO:0000013 ! plant secondary metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CDAISMWEOUEBRE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "180.15588" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "180.06339" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC1C(O)C(O)C(O)C(O)C1O" xsd:string [Term] id: CHEBI:24866 name: salt namespace: chebi_ontology def: "A salt is an assembly of cations and anions." [] subset: 3_STAR synonym: "ionic compound" RELATED [ChEBI] synonym: "ionic compounds" RELATED [ChEBI] synonym: "sal" RELATED [ChEBI] synonym: "sales" RELATED [ChEBI] synonym: "salt" EXACT IUPAC_NAME [IUPAC] synonym: "salts" RELATED [ChEBI] synonym: "Salz" RELATED [ChEBI] synonym: "Salze" RELATED [ChEBI] synonym: "sel" RELATED [ChEBI] synonym: "sels" RELATED [ChEBI] is_a: CDNO:0000001 ! dietary chemical component [Term] id: CHEBI:24898 name: isoleucine namespace: chebi_ontology def: "A 2-amino-3-methylpentanoic acid having either (2R,3R)- or (2S,3S)-configuration." [] subset: 3_STAR synonym: "Hile" RELATED [IUPAC] synonym: "isoleucine" EXACT IUPAC_NAME [IUPAC] synonym: "rel-(2R,3R)-2-amino-3-methylpentanoic acid" RELATED [IUPAC] xref: Beilstein:1721790 {source="Beilstein"} xref: CAS:443-79-8 {source="NIST Chemistry WebBook"} xref: CAS:443-79-8 {source="ChemIDplus"} xref: PMID:17190852 {source="Europe PMC"} xref: Reaxys:1721790 {source="Reaxys"} is_a: CHEBI:33709 ! amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H13NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "131.175" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "131.09463" xsd:string [Term] id: CHEBI:24913 name: isoprenoid namespace: chebi_ontology def: "Any lipid formally derived from isoprene (2-methylbuta-1,3-diene), the skeleton of which can generally be discerned in repeated occurrence in the molecule. The skeleton of isoprenoids may differ from strict additivity of isoprene units by loss or shift of a fragment, commonly a methyl group. The class includes both hydrocarbons and oxygenated derivatives." [] subset: 3_STAR synonym: "isoprenoid" EXACT [ChEBI] synonym: "isoprenoids" EXACT IUPAC_NAME [IUPAC] synonym: "isoprenoids" RELATED [ChEBI] xref: LIPID_MAPS_class:LMPR01 {source="LIPID MAPS"} xref: PMID:12769708 {source="Europe PMC"} xref: PMID:19219049 {source="Europe PMC"} is_a: CHEBI:18059 ! lipid [Term] id: CHEBI:24973 name: ketohexose namespace: chebi_ontology def: "Any hexose containing a single ketone group." [] subset: 3_STAR synonym: "ketohexose" EXACT [ChEBI] synonym: "ketohexoses" RELATED [ChEBI] is_a: CHEBI:24978 ! ketose [Term] id: CHEBI:24978 name: ketose namespace: chebi_ontology alt_id: CHEBI:6131 def: "Ketonic parent sugars (polyhydroxy ketones H[CH(OH)]nC(=O)[CH(OH)]mH) and their intramolecular hemiketals." [] subset: 3_STAR synonym: "ketose" EXACT [ChEBI] synonym: "ketoses" RELATED [ChEBI] is_a: CHEBI:35381 ! monosaccharide [Term] id: CHEBI:25017 name: leucine namespace: chebi_ontology def: "A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isobutyl group." [] subset: 3_STAR synonym: "(+-)-Leucine" RELATED [ChemIDplus] synonym: "(RS)-Leucine" RELATED [ChemIDplus] synonym: "2-amino-4-methylpentanoic acid" RELATED [IUPAC] synonym: "DL-Leucine" RELATED [ChemIDplus] synonym: "Hleu" RELATED [IUPAC] synonym: "L" RELATED [ChEBI] synonym: "Leu" RELATED [ChEBI] synonym: "Leucin" RELATED [ChEBI] synonym: "leucine" EXACT IUPAC_NAME [IUPAC] synonym: "Leuzin" RELATED [ChEBI] xref: Beilstein:636005 {source="Beilstein"} xref: CAS:328-39-2 {source="ChemIDplus"} xref: CAS:328-39-2 {source="NIST Chemistry WebBook"} xref: Gmelin:50203 {source="Gmelin"} xref: KEGG:C16439 xref: LIPID_MAPS_instance:LMFA01100048 {source="LIPID MAPS"} xref: PMID:17439666 {source="Europe PMC"} xref: Reaxys:636005 {source="Reaxys"} xref: Wikipedia:Leucine is_a: CHEBI:33709 ! amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H13NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ROHFNLRQFUQHCH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "131.17296" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "131.09463" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)CC(N)C(O)=O" xsd:string [Term] id: CHEBI:25036 name: lignan namespace: chebi_ontology alt_id: CHEBI:25035 def: "Any phenylpropanoid derived from phenylalanine via dimerization of substituted cinnamic alcohols, known as monolignols, to a dibenzylbutane skeleton. Note that while individual members of the class have names ending ...lignane, ...lignene, ...lignadiene, etc., the class names lignan, neolignan, etc., do not end with an \"e\"." [] subset: 3_STAR synonym: "lignan" EXACT [ChEBI] synonym: "lignans" RELATED [ChEBI] is_a: CHEBI:26004 ! phenylpropanoid [Term] id: CHEBI:25048 name: linolenic acid namespace: chebi_ontology def: "A two-membered subclass of octadecatrienoic acid comprising the (9Z,12Z,15Z)- and (6Z,9Z,12Z)-isomers. Linolenic acids are nutrients essential to the formation of prostaglandins and are also used in making paints and synthetic resins." [] subset: 3_STAR synonym: "C18:3" RELATED [ChEBI] synonym: "linolenic acids" RELATED [ChEBI] synonym: "Linolensaeure" RELATED [ChEBI] is_a: CHEBI:25681 ! ω−3 fatty acid [Term] id: CHEBI:25094 name: lysine namespace: chebi_ontology def: "A diamino acid that is caproic (hexanoic) acid bearing two amino substituents at positions 2 and 6." [] subset: 3_STAR synonym: "2,6-diaminohexanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "alpha,epsilon-diaminocaproic acid" RELATED [ChEBI] synonym: "K" RELATED [ChEBI] synonym: "LYS" RELATED [ChEBI] synonym: "Lysin" RELATED [ChEBI] synonym: "lysine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1616991 {source="Beilstein"} xref: CAS:70-54-2 {source="NIST Chemistry WebBook"} xref: CAS:70-54-2 {source="ChemIDplus"} xref: Gmelin:279284 {source="Gmelin"} xref: KEGG:C16440 xref: PMID:17439666 {source="Europe PMC"} xref: PMID:22264337 {source="Europe PMC"} xref: Reaxys:1616991 {source="Reaxys"} xref: Wikipedia:Lysine is_a: CHEBI:33709 ! amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H14N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KDXKERNSBIXSRK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "146.18764" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "146.10553" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCCCC(N)C(O)=O" xsd:string [Term] id: CHEBI:25140 name: maltodextrin namespace: chebi_ontology def: "A dextrin in which the D-glucose units are linked by alpha-(1->4) glycosidic bonds." [] subset: 3_STAR xref: Wikipedia:Maltodextrin is_a: CHEBI:23652 ! dextrins [Term] id: CHEBI:25322 name: methylmercury compound namespace: chebi_ontology def: "An alkylmercury compound in which the alkyl group specified is methyl." [] subset: 3_STAR synonym: "methylmercury compounds" RELATED [ChEBI] is_a: CDNO:0000012 ! trace element [Term] id: CHEBI:25409 name: monoterpenoid namespace: chebi_ontology def: "Any terpenoid derived from a monoterpene. The term includes compounds in which the C10 skeleton of the parent monoterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups)." [] subset: 3_STAR synonym: "monoterpenoids" RELATED [ChEBI] xref: LIPID_MAPS_class:LMPR0102 {source="LIPID MAPS"} is_a: CHEBI:26873 ! terpenoid [Term] id: CHEBI:25413 name: monounsaturated fatty acid namespace: chebi_ontology def: "Any fatty acid with one double or triple bond in the fatty acid chain and singly bonded carbon atoms in the rest of the chain. MUFAs have positive effects on the cardiovascular system, and in diabetes treatment." [] subset: 3_STAR synonym: "monounsaturated fatty acids" RELATED [ChEBI] synonym: "MUFA" RELATED [ChEBI] synonym: "MUFAs" RELATED [ChEBI] xref: PMID:10584045 {source="Europe PMC"} xref: PMID:12936956 {source="Europe PMC"} is_a: CHEBI:35366 ! fatty acid [Term] id: CHEBI:25481 name: naphthoquinone name: napthoquinone namespace: chebi_ontology def: "A polycyclic aromatic ketone metabolite of naphthalene." [] subset: 3_STAR synonym: "naphthoquinones" RELATED [ChEBI] is_a: CDNO:0000013 ! plant secondary metabolite [Term] id: CHEBI:25497 name: neolignan namespace: chebi_ontology def: "A phenylpropanoid that includes plant products formed primarily from oxidative coupling of two para-propylphenol moities. Unlike lignan, the units are coupled at positions other than their beta-carbon atoms." [] subset: 3_STAR synonym: "neolignans" RELATED [ChEBI] is_a: CHEBI:26004 ! phenylpropanoid [Term] id: CHEBI:25501 name: neoxanthin namespace: chebi_ontology def: "An epoxycarotenoid that is 6,7-didehydro-5,5',6,6'-tetrahydro-5',6'-epoxy-beta,beta-carotene which is substituted by hydroxy groups at the 3, 3', and 5 positions." [] subset: 3_STAR synonym: "all-trans-Neoxanthin" RELATED [KEGG_COMPOUND] xref: CAS:30743-41-0 {source="KEGG COMPOUND"} xref: KEGG:C08606 xref: KNApSAcK:C00003780 is_a: CHEBI:27325 ! xanthophyll property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C40H56O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/t22-,33-,34-,38+,39+,40-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PGYAYSRVSAJXTE-QLIYCPSBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "600.87020" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "600.41786" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=CC([H])=C(C)C([H])=CC([H])=C(C)C([H])=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)C=C(C)C=C([H])C=C(C)C=C([H])[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C" xsd:string [Term] id: CHEBI:25555 name: nitrogen atom namespace: chebi_ontology subset: 3_STAR synonym: "7N" RELATED [IUPAC] synonym: "azote" RELATED [IUPAC] synonym: "N" RELATED [IUPAC] synonym: "nitrogen" EXACT IUPAC_NAME [IUPAC] synonym: "nitrogen" RELATED [ChEBI] synonym: "nitrogeno" RELATED [ChEBI] synonym: "Stickstoff" RELATED [ChEBI] xref: WebElements:N is_a: CDNO:0000011 ! macro element property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "14.007" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "14.00307" xsd:string [Term] id: CHEBI:25681 name: omega-3 fatty acid name: ω−3 fatty acid namespace: chebi_ontology def: "A family of polyunsaturated fatty acids that have in common a final carbon-carbon double bond in the omega-3 position, i.e., the third bond from the methyl end of the fatty acid." [] subset: 3_STAR synonym: "n-3 fatty acid" RELATED [ChEBI] synonym: "n-3 fatty acids" RELATED [ChEBI] synonym: "omega-3 fatty acid" EXACT [ChEBI] synonym: "omega-3 fatty acids" RELATED [ChEBI] synonym: "omega-3-fatty acid" EXACT [] xref: PMID:15129302 {source="Europe PMC"} xref: PMID:15253883 {source="Europe PMC"} xref: PMID:15555528 {source="Europe PMC"} xref: PMID:16741195 {source="Europe PMC"} xref: PMID:19154523 {source="Europe PMC"} xref: PMID:19439966 {source="Europe PMC"} xref: PMID:21975796 {source="Europe PMC"} xref: PMID:23643471 {source="Europe PMC"} xref: PMID:24012777 {source="Europe PMC"} xref: PMID:24122252 {source="Europe PMC"} xref: PMID:24128563 {source="Europe PMC"} xref: PMID:24172034 {source="Europe PMC"} xref: PMID:24211484 {source="Europe PMC"} xref: PMID:24240437 {source="Europe PMC"} xref: PMID:24246761 {source="Europe PMC"} xref: PMID:24281905 {source="Europe PMC"} xref: PMID:24397938 {source="Europe PMC"} xref: PMID:24401220 {source="Europe PMC"} xref: PMID:24418228 {source="Europe PMC"} xref: Wikipedia:Omega-3_fatty_acid is_a: CHEBI:26208 ! polyunsaturated fatty acid [Term] id: CHEBI:25704 name: organic sulfate name: organic sulfate salt namespace: chebi_ontology def: "Compounds of the general formula SO3HOR where R is an organyl group" [] subset: 3_STAR synonym: "organic sulfates" RELATED [ChEBI] is_a: CDNO:0000021 ! dietary sulfur [Term] id: CHEBI:25863 name: pelargonidin namespace: chebi_ontology def: "An anthocyanidin cation that is flavylium substituted by a hydroxy groups at positions 3, 5, 7 and 4'." [] subset: 3_STAR synonym: "3,5,7-trihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium" RELATED [ChemIDplus] synonym: "3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromenylium" EXACT IUPAC_NAME [IUPAC] synonym: "pelargonidin" EXACT [ChemIDplus] xref: Beilstein:1688614 {source="Beilstein"} xref: CAS:134-04-3 {source="KEGG COMPOUND"} xref: CAS:7690-51-9 {source="ChemIDplus"} xref: KEGG:C05904 xref: KNApSAcK:C00007232 xref: LIPID_MAPS_instance:LMPK12010003 {source="LIPID MAPS"} xref: PMID:15588587 {source="Europe PMC"} xref: PMID:23419638 {source="Europe PMC"} xref: Reaxys:1688614 {source="Reaxys"} xref: Wikipedia:Pelargonidin is_a: CHEBI:38695 ! anthocyanidin property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H11O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-7H,(H3-,16,17,18,19)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XVFMGWDSJLBXDZ-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "271.24484" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "271.06010" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccc(cc1)-c1[o+]c2cc(O)cc(O)c2cc1O" xsd:string [Term] id: CHEBI:26004 name: phenylpropanoid namespace: chebi_ontology def: "Any organic aromatic compound with a structure based on a phenylpropane skeleton. The class includes naturally occurring phenylpropanoid esters, flavonoids, anthocyanins, coumarins and many small phenolic molecules as well as their semi-synthetic and synthetic analogues. Phenylpropanoids are also precursors of lignin." [] subset: 3_STAR synonym: "phenylpropanoids" RELATED [ChEBI] xref: Wikipedia:Phenylpropanoid is_a: CDNO:0000013 ! plant secondary metabolite [Term] id: CHEBI:26078 name: phosphoric acid namespace: chebi_ontology def: "A phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom." [] subset: 3_STAR synonym: "[PO(OH)3]" RELATED [IUPAC] synonym: "acide phosphorique" RELATED [ChEBI] synonym: "acidum phosphoricum" RELATED [ChEBI] synonym: "H3PO4" RELATED [IUPAC] synonym: "Orthophosphoric acid" RELATED [KEGG_COMPOUND] synonym: "orthophosphoric acid" RELATED [NIST_Chemistry_WebBook] synonym: "Phosphate" RELATED [KEGG_COMPOUND] synonym: "Phosphoric acid" EXACT [KEGG_COMPOUND] synonym: "phosphoric acid" EXACT [IUPAC] synonym: "Phosphorsaeure" RELATED [ChEBI] synonym: "Phosphorsaeureloesungen" RELATED [ChEBI] synonym: "tetraoxophosphoric acid" EXACT IUPAC_NAME [IUPAC] synonym: "trihydrogen tetraoxophosphate(3-)" EXACT IUPAC_NAME [IUPAC] synonym: "trihydroxidooxidophosphorus" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1921286 {source="Beilstein"} xref: CAS:7664-38-2 {source="NIST Chemistry WebBook"} xref: CAS:7664-38-2 {source="KEGG COMPOUND"} xref: CAS:7664-38-2 {source="ChemIDplus"} xref: Drug_Central:4478 {source="DrugCentral"} xref: Gmelin:2000 {source="Gmelin"} xref: HMDB:HMDB0002142 xref: KEGG:C00009 xref: KEGG:D05467 xref: KNApSAcK:C00007408 xref: PMID:11455380 {source="Europe PMC"} xref: PMID:15630224 {source="Europe PMC"} xref: PMID:17439666 {source="Europe PMC"} xref: PMID:17518491 {source="Europe PMC"} xref: PMID:22282755 {source="Europe PMC"} xref: PMID:22333268 {source="Europe PMC"} xref: PMID:22381614 {source="Europe PMC"} xref: PMID:22401268 {source="Europe PMC"} xref: Reaxys:1921286 {source="Reaxys"} xref: Wikipedia:Phosphoric_Acid is_a: CDNO:0000018 ! dietary phosphorus property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "H3O4P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NBIIXXVUZAFLBC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "97.99520" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "97.97690" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]OP(=O)(O[H])O[H]" xsd:string [Term] id: CHEBI:26119 name: phytoene namespace: chebi_ontology subset: 3_STAR synonym: "2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:27325 ! xanthophyll property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C40H64" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YVLPJIGOMTXXLP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "544.93620" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "544.50080" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C" xsd:string [Term] id: CHEBI:26125 name: phytosterol name: phytosterols namespace: chebi_ontology def: "Sterols similar to cholesterol which occur in plants and vary only in carbon side chains and/or presence or absence of a double bond." [] subset: 3_STAR xref: Wikipedia:Phytosterol is_a: CHEBI:15889 ! sterol [Term] id: CHEBI:26191 name: polyol namespace: chebi_ontology def: "A compound that contains two or more hydroxy groups." [] subset: 3_STAR synonym: "polyols" RELATED [ChEBI] is_a: CDNO:0000013 ! plant secondary metabolite is_a: CHEBI:16646 ! carbohydrate [Term] id: CHEBI:26195 name: polyphenol namespace: chebi_ontology def: "Members of the class of phenols that contain 2 or more benzene rings each of which is substituted by at least one hydroxy group." [] subset: 3_STAR synonym: "polyphenols" RELATED [ChEBI] xref: Wikipedia:Polyphenol is_a: CHEBI:33853 ! phenols [Term] id: CHEBI:26208 name: polyunsaturated fatty acid namespace: chebi_ontology def: "Any fatty acid containing more than one double bond. Acids in this group are reported to have cardioprotective effects; and levels are lowered in chronic fatigue syndrome." [] subset: 3_STAR synonym: "polyunsaturated fatty acids" RELATED [ChEBI] synonym: "PUFA" RELATED [ChEBI] synonym: "PUFAs" RELATED [ChEBI] xref: PMID:14977874 {source="Europe PMC"} xref: PMID:16380690 {source="Europe PMC"} xref: PMID:17891522 {source="Europe PMC"} is_a: CHEBI:35366 ! fatty acid [Term] id: CHEBI:26267 name: proanthocyanidin namespace: chebi_ontology def: "A flavonoid oligomer obtained by the the condensation of two or more units of hydroxyflavans." [] subset: 3_STAR synonym: "condensed tannin" RELATED [] synonym: "condensed tannins" RELATED [ChEBI] synonym: "polyflavonoid tannins" RELATED [ChEBI] synonym: "proanthocyanidins" RELATED [ChEBI] xref: Wikipedia:Proanthocyanidin is_a: CHEBI:26848 ! tannin is_a: CHEBI:47916 ! flavonoid [Term] id: CHEBI:26271 name: proline namespace: chebi_ontology def: "An alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2." [] subset: 3_STAR synonym: "DL-Proline" RELATED [KEGG_COMPOUND] synonym: "Hpro" RELATED [IUPAC] synonym: "Prolin" RELATED [ChEBI] synonym: "prolina" RELATED [ChEBI] synonym: "proline" EXACT [ChEBI] synonym: "proline" EXACT IUPAC_NAME [IUPAC] synonym: "pyrrolidine-2-carboxylic acid" RELATED [IUPAC] xref: Beilstein:80809 {source="Beilstein"} xref: CAS:609-36-9 {source="KEGG COMPOUND"} xref: CAS:609-36-9 {source="NIST Chemistry WebBook"} xref: CAS:609-36-9 {source="ChemIDplus"} xref: Gmelin:26927 {source="Gmelin"} xref: KEGG:C16435 xref: PMID:16534801 {source="Europe PMC"} xref: PMID:21400017 {source="Europe PMC"} xref: PMID:21903295 {source="Europe PMC"} xref: PMID:22264337 {source="Europe PMC"} xref: PMID:22280966 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: Reaxys:80809 {source="Reaxys"} xref: Wikipedia:Proline is_a: CHEBI:33709 ! amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H9NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ONIBWKKTOPOVIA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "115.13050" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "115.06333" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)C1CCCN1" xsd:string [Term] id: CHEBI:26377 name: pterocarpans namespace: chebi_ontology alt_id: CHEBI:60953 def: "Members of the class of benzofurochromene with a 6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene skeleton and its substituted derivatives. They generally bear structural resemblance to isoflavanoids that possess antibiotic activity and are produced by plant tissues in response to infection. They are the 3,4-dihydroderivatives of coumestans." [] subset: 3_STAR synonym: "isoflavonoid phytoalexin" RELATED [ChEBI] synonym: "isoflavonoid phytoalexins" RELATED [ChEBI] xref: MetaCyc:PTEROCARPANS xref: Wikipedia:Pterocarpan is_a: CHEBI:50753 ! isoflavonoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15O2R12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "212.15930" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "211.98983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]c1c([*])c([*])c2c(OC([*])([*])C3([*])c4c([*])c([*])c([*])c([*])c4OC23[*])c1[*]" xsd:string [Term] id: CHEBI:26493 name: quinic acid namespace: chebi_ontology def: "A cyclitol carboxylic acid." [] subset: 3_STAR xref: PMID:15589483 {source="Europe PMC"} xref: PMID:19952409 {source="Europe PMC"} xref: PMID:23590498 {source="Europe PMC"} is_a: CHEBI:64709 ! organic acid [Term] id: CHEBI:26543 name: rhamnogalacturonan namespace: chebi_ontology subset: 1_STAR is_a: CHEBI:24174 ! galacturonan [Term] id: CHEBI:26546 name: rhamnose namespace: chebi_ontology def: "A deoxymannose sugar that is the 6-deoxy derivative of hexose." [] subset: 3_STAR synonym: "ramnose" RELATED [ChEBI] xref: PMID:24211429 {source="Europe PMC"} xref: PMID:24831810 {source="Europe PMC"} is_a: CHEBI:35381 ! monosaccharide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "164.157" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "164.06847" xsd:string [Term] id: CHEBI:26607 name: saturated fatty acid namespace: chebi_ontology def: "Any fatty acid containing no carbon to carbon multiple bonds. Known to produce adverse biological effects when ingested to excess." [] subset: 3_STAR synonym: "saturated fatty acid" EXACT [ChEBI] synonym: "saturated fatty acids" RELATED [ChEBI] synonym: "SFA" RELATED [ChEBI] synonym: "SFAs" RELATED [ChEBI] xref: PMID:16492686 {source="Europe PMC"} xref: PMID:19763019 {source="Europe PMC"} xref: PMID:20237329 {source="Europe PMC"} is_a: CHEBI:35366 ! fatty acid [Term] id: CHEBI:26658 name: sesquiterpenoid name: sesquiterpoid namespace: chebi_ontology def: "Any terpenoid derived from a sesquiterpene. The term includes compounds in which the C15 skeleton of the parent sesquiterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups)." [] subset: 3_STAR synonym: "sesquiterpenoides" RELATED [ChEBI] synonym: "sesquiterpenoids" RELATED [ChEBI] xref: LIPID_MAPS_class:LMPR0103 {source="LIPID MAPS"} is_a: CHEBI:26873 ! terpenoid [Term] id: CHEBI:26667 name: sialic acid namespace: chebi_ontology def: "Any of the N-acylneuraminic acids and their esters and other derivatives of the alcoholic hydroxy groups." [] subset: 3_STAR synonym: "acide sialique" RELATED [ChEBI] synonym: "acides sialique" RELATED [ChEBI] synonym: "sialic acids" RELATED [ChEBI] synonym: "Sialsaeure" RELATED [ChEBI] synonym: "Sialsaeuren" RELATED [ChEBI] xref: Wikipedia:Sialic_acid is_a: CHEBI:16646 ! carbohydrate [Term] id: CHEBI:26709 name: sodium hydrogensulfite namespace: chebi_ontology def: "An inorganic sodium salt having hydrogensulfite as the counterion." [] subset: 3_STAR synonym: "NaHSO3" RELATED [IUPAC] synonym: "Natriumbisulfit" RELATED [ChEBI] synonym: "Natriumhydrogensulfit" RELATED [ChEBI] synonym: "primaeres Natriumsulfit" RELATED [ChEBI] synonym: "saures Natriumsulfit" RELATED [ChEBI] synonym: "sodium bisulfate" EXACT [] synonym: "sodium bisulfite" RELATED [ChemIDplus] synonym: "sodium bisulphite" RELATED [ChemIDplus] synonym: "sodium hydrogen sulfite" RELATED [ChemIDplus] synonym: "sodium hydrogensulfite" EXACT IUPAC_NAME [IUPAC] xref: AGR:IND605265115 {source="Europe PMC"} xref: CAS:7631-90-5 {source="ChemIDplus"} xref: Gmelin:22395 {source="Gmelin"} xref: PMID:27905861 {source="Europe PMC"} xref: PMID:30429859 {source="Europe PMC"} xref: PMID:32714086 {source="Europe PMC"} xref: PMID:32785935 {source="Europe PMC"} is_a: CHEBI:32149 ! sodium sulfate property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HNaO3S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DWAQJAXMDSEUJJ-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "104.06191" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "103.95441" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].OS([O-])=O" xsd:string [Term] id: CHEBI:26710 name: sodium chloride namespace: chebi_ontology def: "An inorganic chloride salt having sodium(1+) as the counterion." [] subset: 3_STAR synonym: "chlorure de sodium" RELATED [ChEBI] synonym: "cloruro sodico" RELATED [ChEBI] synonym: "common salt" RELATED [ChemIDplus] synonym: "halite" RELATED [NIST_Chemistry_WebBook] synonym: "Kochsalz" RELATED [ChEBI] synonym: "NaCl" RELATED [IUPAC] synonym: "natrii chloridum" RELATED [ChEBI] synonym: "Natriumchlorid" RELATED [NIST_Chemistry_WebBook] synonym: "rock salt" RELATED [ChemIDplus] synonym: "salt" RELATED [ChemIDplus] synonym: "sodium chloride" EXACT [ChEBI] synonym: "sodium chloride" EXACT IUPAC_NAME [IUPAC] synonym: "table salt" RELATED [ChemIDplus] xref: Beilstein:3534976 {source="Beilstein"} xref: CAS:7647-14-5 {source="ChemIDplus"} xref: CAS:7647-14-5 {source="NIST Chemistry WebBook"} xref: CAS:7647-14-5 {source="KEGG COMPOUND"} xref: Gmelin:13673 {source="Gmelin"} xref: KEGG:C13563 xref: KEGG:D02056 xref: MetaCyc:NACL xref: PPDB:595 xref: Reaxys:3534976 {source="Reaxys"} xref: Wikipedia:Sodium_Chloride is_a: CHEBI:24866 ! salt is_a: CHEBI:36093 ! inorganic chloride is_a: CHEBI:38702 ! inorganic sodium salt property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "ClNa" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClH.Na/h1H;/q;+1/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FAPWRFPIFSIZLT-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "58.44247" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "57.95862" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[Cl-]" xsd:string [Term] id: CHEBI:26775 name: stilbene namespace: chebi_ontology subset: 3_STAR synonym: "1,1'-(1,2-ethenediyl)bis[benzene]" RELATED [NIST_Chemistry_WebBook] synonym: "1,1'-(1,2-ethenediyl)bisbenzene" RELATED [ChemIDplus] synonym: "1,1'-(1,2-ethenediyl)dibenzene" RELATED [ChemIDplus] synonym: "1,1'-(ethene-1,2-diyl)dibenzene" EXACT IUPAC_NAME [IUPAC] synonym: "1,1'-ethene-1,2-diyldibenzene" RELATED [ChEBI] synonym: "1,2-diphenylethylene" RELATED [NIST_Chemistry_WebBook] synonym: "alpha,beta-diphenylethylene" RELATED [NIST_Chemistry_WebBook] synonym: "stilbene" EXACT [ChemIDplus] xref: Beilstein:1904445 {source="ChemIDplus"} xref: CAS:588-59-0 {source="NIST Chemistry WebBook"} xref: CAS:588-59-0 {source="ChemIDplus"} xref: Gmelin:67845 {source="Gmelin"} xref: Wikipedia:Stilbene is_a: CHEBI:26776 ! stilbenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PJANXHGTPQOBST-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "180.24508" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "180.09390" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=C([H])c1ccccc1)c1ccccc1" xsd:string [Term] id: CHEBI:26776 name: stilbenoid namespace: chebi_ontology def: "Any olefinic compound characterised by a 1,2-diphenylethylene backbone." [] subset: 3_STAR synonym: "stilbenes" RELATED [ChEBI] synonym: "stilbenoids" RELATED [ChEBI] is_a: CDNO:0000013 ! plant secondary metabolite [Term] id: CHEBI:26848 name: tannin namespace: chebi_ontology def: "Any of a group of astringent polyphenolic vegetable principles or compounds, chiefly complex glucosides of catechol and pyrogallol." [] subset: 3_STAR synonym: "tannins" RELATED [ChEBI] xref: Wikipedia:Tannin is_a: CHEBI:26195 ! polyphenol [Term] id: CHEBI:26849 name: tartaric acid namespace: chebi_ontology subset: 3_STAR synonym: "(2R,3R)-rel-2,3-dihydroxybutanedioic acid" RELATED [ChemIDplus] synonym: "(2RS,3RS)-tartaric acid" RELATED [ChemIDplus] synonym: "(R*,R*)-(+-)-2,3-dihydroxybutanedioic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(R*,R*)-2,3-dihydroxybutanedioic acid" RELATED [ChemIDplus] synonym: "acide tartrique" RELATED [ChEBI] synonym: "acido tartarico" RELATED [ChEBI] synonym: "DL-tartaric acid" RELATED [ChemIDplus] synonym: "dl-tartaric acid" RELATED [NIST_Chemistry_WebBook] synonym: "para-Weinsaeure" RELATED [ChEBI] synonym: "paratartaric acid" RELATED [NIST_Chemistry_WebBook] synonym: "racemic acid" RELATED [ChemIDplus] synonym: "racemic tartaric acid" RELATED [ChemIDplus] synonym: "racemische Weinsaeure" RELATED [ChEBI] synonym: "rel-(2R,3R)-2,3-dihydroxybutanedioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "resolvable tartaric acid" RELATED [NIST_Chemistry_WebBook] synonym: "Traubensaeure" RELATED [ChemIDplus] synonym: "uvic acid" RELATED [ChemIDplus] synonym: "Vogesensaeure" RELATED [ChEBI] xref: Beilstein:1725148 {source="Beilstein"} xref: Beilstein:6270431 {source="Beilstein"} xref: CAS:133-37-9 {source="ChemIDplus"} xref: CAS:133-37-9 {source="NIST Chemistry WebBook"} xref: Gmelin:82691 {source="Gmelin"} xref: PMID:24507823 {source="Europe PMC"} xref: PMID:24556732 {source="Europe PMC"} xref: YMDB:YMDB01788 is_a: CHEBI:64709 ! organic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H6O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "150.08684" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "150.01644" xsd:string [Term] id: CHEBI:26873 name: terpenoid namespace: chebi_ontology def: "Any isoprenoid that is a natural product or related compound formally derived from isoprene units. Terpenoids may contain oxygen in various functional groups. This class is subdivided according to the number of carbon atoms in the parent terpene. The skeleton of terpenoids may differ from strict additivity of isoprene units by the loss or shift of a fragment, generally a methyl group." [] subset: 3_STAR synonym: "Terpenoid" EXACT [ChEBI] synonym: "terpenoide" RELATED [IUPAC] synonym: "terpenoides" RELATED [IUPAC] synonym: "terpenoids" EXACT IUPAC_NAME [IUPAC] xref: Wikipedia:Terpenoid is_a: CDNO:0000013 ! plant secondary metabolite is_a: CHEBI:24913 ! isoprenoid [Term] id: CHEBI:26935 name: tetraterpenoid namespace: chebi_ontology def: "Any terpenoid derived from a tetraterpene. The term includes compounds in which the C40 skeleton of the parent tetraterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups)." [] subset: 3_STAR synonym: "C40 isoprenoids" RELATED [LIPID_MAPS] synonym: "tetraterpenoides" RELATED [ChEBI] synonym: "tetraterpenoids" EXACT IUPAC_NAME [IUPAC] xref: LIPID_MAPS_class:LMPR0107 {source="LIPID MAPS"} is_a: CHEBI:26873 ! terpenoid [Term] id: CHEBI:26948 name: vitamin B1 namespace: chebi_ontology def: "Any member of the group of 1,3-thiazolium cations that exhibit biological activity against vitamin B1 deficiency in animals. Symptoms of vitamin B1 deficiency include constipation, loss of apetite, fatigue, nausea, delirium, blurry vision and muscle weakness. Severe vitamin B1 deficiency can also lead to a disease known as beriberi. Vitamin B1 consists of the vitamer thiamin and its acid, aldehyde and phosphorylated derivatives (and their corresponding ionized, salt and hydrate forms)." [] subset: 3_STAR synonym: "thiamine" RELATED [ChEBI] synonym: "thiamines" RELATED [ChEBI] synonym: "thiamins" RELATED [ChEBI] synonym: "vitamin B1" EXACT [ChEBI] synonym: "vitamin B1 vitamer" RELATED [ChEBI] synonym: "vitamin B1 vitamers" RELATED [ChEBI] synonym: "vitamins B1" RELATED [ChEBI] xref: PMID:28859374 {source="Europe PMC"} xref: PMID:32554808 {source="Europe PMC"} is_a: CHEBI:75769 ! B vitamin [Term] id: CHEBI:26986 name: threonine namespace: chebi_ontology def: "An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 1-hydroxyethyl group." [] subset: 3_STAR synonym: "Threonin" RELATED [ChEBI] synonym: "threonine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:8204750 {source="Beilstein"} xref: CAS:80-68-2 {source="NIST Chemistry WebBook"} xref: CAS:80-68-2 {source="ChemIDplus"} xref: PMID:11379295 {source="Europe PMC"} xref: PMID:15221503 {source="Europe PMC"} xref: PMID:22264337 {source="Europe PMC"} xref: Wikipedia:Threonine is_a: CHEBI:33709 ! amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H9NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "119.119" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "119.05824" xsd:string [Term] id: CHEBI:27013 name: tocopherol namespace: chebi_ontology def: "A collective name for a group of closely related lipids that contain a chroman-6-ol nucleus substituted at position 2 by a methyl group and by a saturated hydrocarbon chain consisting of three isoprenoid units. They are designated as alpha-, beta-, gamma-, and delta-tocopherol depending on the number and position of additional methyl substituents on the aromatic ring. Tocopherols occur in vegetable oils and vegetable oil products, almost exclusively with R,R,R configuration. Tocotrienols differ from tocopherols only in having three double bonds in the hydrocarbon chain." [] subset: 3_STAR synonym: "Methyltocols" RELATED [ChemIDplus] synonym: "tocoferol" RELATED [ChEBI] synonym: "tocoferoles" RELATED [ChEBI] synonym: "Tocopherol" EXACT [ChemIDplus] synonym: "tocopherol" EXACT [ChEBI] synonym: "Tocopherols" RELATED [ChemIDplus] synonym: "tocopherols" RELATED [ChEBI] xref: CAS:1406-66-2 {source="ChemIDplus"} xref: Wikipedia:Tocopherol is_a: CHEBI:33234 ! vitamin E [Term] id: CHEBI:27082 name: trehalose namespace: chebi_ontology def: "A disaccharide formed by a (1<->1)-glycosidic bond between two units of D-glucose." [] subset: 3_STAR is_a: CHEBI:36233 ! disaccharide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H22O11" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11?,12?/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HDTRYLNUVZCQOY-MFAKQEFJSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "342.29650" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "342.11621" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1OC(OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O" xsd:string [Term] id: CHEBI:27266 name: valine namespace: chebi_ontology def: "A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isopropyl group." [] subset: 3_STAR synonym: "2-amino-3-methylbutanoic acid" RELATED [IUPAC] synonym: "DL-valine" RELATED [ChEBI] synonym: "Hval" RELATED [IUPAC] synonym: "Valin" RELATED [ChEBI] synonym: "valina" RELATED [ChEBI] synonym: "valine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:506689 {source="Beilstein"} xref: CAS:516-06-3 {source="ChemIDplus"} xref: CAS:516-06-3 {source="NIST Chemistry WebBook"} xref: CAS:516-06-3 {source="KEGG COMPOUND"} xref: Gmelin:49877 {source="Gmelin"} xref: KEGG:C16436 xref: PMID:17190852 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: Reaxys:506689 {source="Reaxys"} xref: Wikipedia:Valine is_a: CHEBI:33709 ! amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H11NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KZSNJWFQEVHDMF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "117.14638" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "117.07898" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)C(N)C(O)=O" xsd:string [Term] id: CHEBI:27295 name: violaxanthin namespace: chebi_ontology def: "An epoxycarotenol that is 5,5',6,6'-tetrahydro-5,6:5',6'-diepoxy-beta,beta-carotene substituted by hydroxy groups at positions 3 and 3'. It is the naturally occurring xanthophyll pigment found in a variety of plants." [] subset: 3_STAR is_a: CHEBI:27325 ! xanthophyll property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C40H56O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "600.872" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "600.41786" xsd:string [Term] id: CHEBI:27300 name: vitamin D namespace: chebi_ontology def: "Any member of a group of fat-soluble hydroxy seco-steroids that exhibit biological activity against vitamin D deficiency. Vitamin D can be obtained from sun exposure, food and supplements and is biologically inactive and converted into the biologically active calcitriol via double hydroxylation in the body." [] subset: 3_STAR synonym: "D vitamins" RELATED [ChEBI] synonym: "vitamin D vitamer" RELATED [ChEBI] synonym: "vitamin D vitamers" RELATED [ChEBI] synonym: "vitamin Ds" RELATED [ChEBI] synonym: "vitamins D" RELATED [ChEBI] xref: MetaCyc:Vitamin-D xref: Wikipedia:Vitamin_D is_a: CDNO:0000014 ! vitamin (molecular entity) [Term] id: CHEBI:27306 name: vitamin B6 namespace: chebi_ontology def: "Any member of the group of pyridines that exhibit biological activity against vitamin B6 deficiency. Vitamin B6 deficiency is associated with microcytic anemia, electroencephalographic abnormalities, dermatitis with cheilosis (scaling on the lips and cracks at the corners of the mouth) and glossitis (swollen tongue), depression and confusion, and weakened immune function. Vitamin B6 consists of the vitamers pyridoxine, pyridoxal, and pyridoxamine and their respective 5'-phosphate esters (and includes their corresponding ionized and salt forms)." [] subset: 3_STAR synonym: "vitamin B-6" RELATED [JCBN] synonym: "Vitamin B6" EXACT [ChEBI] synonym: "vitamin B6 vitamer" RELATED [ChEBI] synonym: "vitamin B6 vitamers" RELATED [ChEBI] synonym: "vitamina B6" RELATED [ChEBI] synonym: "vitamine B6" RELATED [ChEBI] synonym: "vitamins B6" RELATED [ChEBI] is_a: CHEBI:75769 ! B vitamin [Term] id: CHEBI:27325 name: xanthophyll namespace: chebi_ontology def: "A subclass of carotenoids consisting of the oxygenated carotenes." [] subset: 3_STAR synonym: "xanthophylls" EXACT IUPAC_NAME [IUPAC] synonym: "xanthophylls" RELATED [ChEBI] xref: DrugBank:DB00137 is_a: CHEBI:23044 ! carotenoid [Term] id: CHEBI:27432 name: alpha-linolenic acid name: α-linolenic acid namespace: chebi_ontology alt_id: CHEBI:10298 alt_id: CHEBI:22462 alt_id: CHEBI:43891 def: "A linolenic acid with cis-double bonds at positions 9, 12 and 15. Shown to have an antithrombotic effect." [] subset: 3_STAR synonym: "(9,12,15)-linolenic acid" RELATED [CBN] synonym: "(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(9Z,12Z,15Z)-Octadecatrienoic acid" RELATED [KEGG_COMPOUND] synonym: "(Z,Z,Z)-9,12,15-octadecatrienoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "9,12,15-Octadecatrienoic acid" RELATED [KEGG_COMPOUND] synonym: "9-cis,12-cis,15-cis-octadecatrienoic acid" RELATED [ChemIDplus] synonym: "ALA" RELATED [ChEBI] synonym: "all-cis-9,12,15-octadecatrienoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "ALPHA-LINOLENIC ACID" EXACT [PDBeChem] synonym: "alpha-Linolenic acid" EXACT [KEGG_COMPOUND] synonym: "alpha-linolenic acid" EXACT [NIST_Chemistry_WebBook] synonym: "alpha-linolenic acid" RELATED [] synonym: "cis,cis,cis-9,12,15-octadecatrienoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "cis-Delta(9,12,15)-octadecatrienoic acid" RELATED [ChemIDplus] synonym: "linolenic acid" RELATED [ChEBI] xref: Beilstein:1727693 {source="Beilstein"} xref: CAS:463-40-1 {source="ChemIDplus"} xref: CAS:463-40-1 {source="NIST Chemistry WebBook"} xref: CAS:463-40-1 {source="KEGG COMPOUND"} xref: Drug_Central:4618 {source="DrugCentral"} xref: DrugBank:DB00132 xref: Gmelin:57558 {source="Gmelin"} xref: HMDB:HMDB0001388 xref: KEGG:C06427 xref: KNApSAcK:C00007247 xref: LIPID_MAPS_instance:LMFA01030152 {source="LIPID MAPS"} xref: MetaCyc:LINOLENIC_ACID xref: PDBeChem:LNL xref: PMID:10232625 {source="Europe PMC"} xref: PMID:11304127 {source="Europe PMC"} xref: PMID:19269799 {source="Europe PMC"} xref: PMID:24320056 {source="Europe PMC"} xref: PMID:24639012 {source="Europe PMC"} xref: PMID:24855655 {source="Europe PMC"} xref: Reaxys:1727693 {source="Reaxys"} xref: Wikipedia:Alpha-Linolenic_acid is_a: CHEBI:25681 ! ω−3 fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H30O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DTOSIQBPPRVQHS-PDBXOOCHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "278.42960" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "278.22458" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC\\C=C/C\\C=C/C\\C=C/CCCCCCCC(O)=O" xsd:string [Term] id: CHEBI:27470 name: folic acid namespace: chebi_ontology alt_id: CHEBI:24075 alt_id: CHEBI:42610 alt_id: CHEBI:5140 alt_id: CHEBI:569217 def: "An N-acyl-amino acid that is a form of the water-soluble vitamin B9. Its biologically active forms (tetrahydrofolate and others) are essential for nucleotide biosynthesis and homocysteine remethylation." [] subset: 3_STAR synonym: "(2S)-2-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzamido)pentanedioic acid" RELATED [IUPAC] synonym: "Acfol" RELATED BRAND_NAME [ChemIDplus] synonym: "acide folique" RELATED INN [WHO_MedNet] synonym: "acido folico" RELATED INN [WHO_MedNet] synonym: "acidum folicum" RELATED INN [WHO_MedNet] synonym: "b9 folate" RELATED [] synonym: "Folate" RELATED [KEGG_COMPOUND] synonym: "folic acid" RELATED INN [WHO_MedNet] synonym: "Folicet" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Folsaeure" RELATED [ChEBI] synonym: "N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid" EXACT IUPAC_NAME [IUPAC] synonym: "N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid" RELATED [PDBeChem] synonym: "N-pteroyl-L-glutamic acid" RELATED [ChEBI] synonym: "PGA" RELATED [NIST_Chemistry_WebBook] synonym: "PteGlu" RELATED [NIST_Chemistry_WebBook] synonym: "pteroyl-L-glutamic acid" RELATED [ChemIDplus] synonym: "pteroyl-L-monoglutamic acid" RELATED [ChemIDplus] synonym: "pteroylglutamic acid" RELATED [KEGG_COMPOUND] synonym: "pteroylmonoglutamic acid" RELATED [ChemIDplus] synonym: "vitamin B11" RELATED [ChemIDplus] synonym: "vitamin B9" RELATED [ChemIDplus] synonym: "vitamin Bc" RELATED [ChemIDplus] synonym: "vitamin Be" RELATED [ChemIDplus] synonym: "vitamin M" RELATED [ChemIDplus] xref: AGR:IND606960789 {source="Europe PMC"} xref: Beilstein:100781 {source="Beilstein"} xref: CAS:59-30-3 {source="KEGG COMPOUND"} xref: CAS:59-30-3 {source="NIST Chemistry WebBook"} xref: CAS:59-30-3 {source="ChemIDplus"} xref: Chemspider:5815 xref: Drug_Central:1231 {source="DrugCentral"} xref: DrugBank:DB00158 xref: FooDB:FDB014504 xref: HMDB:HMDB0000121 xref: KEGG:C00504 xref: KEGG:D00070 xref: KNApSAcK:C00001539 xref: LINCS:LSM-5355 xref: MetaCyc:CPD-12826 xref: PDBeChem:FOL xref: PMID:10138938 {source="Europe PMC"} xref: PMID:10897644 {source="Europe PMC"} xref: PMID:10958818 {source="Europe PMC"} xref: PMID:11261364 {source="Europe PMC"} xref: PMID:11451208 {source="Europe PMC"} xref: PMID:11959400 {source="Europe PMC"} xref: PMID:14387833 {source="Europe PMC"} xref: PMID:15321809 {source="Europe PMC"} xref: PMID:15523939 {source="Europe PMC"} xref: PMID:15754725 {source="Europe PMC"} xref: PMID:15797531 {source="Europe PMC"} xref: PMID:15797685 {source="Europe PMC"} xref: PMID:15831910 {source="Europe PMC"} xref: PMID:15990733 {source="Europe PMC"} xref: PMID:16093404 {source="Europe PMC"} xref: PMID:16277678 {source="Europe PMC"} xref: PMID:16380297 {source="Europe PMC"} xref: PMID:16871332 {source="Europe PMC"} xref: PMID:17784727 {source="Europe PMC"} xref: PMID:18788725 {source="ChEMBL"} xref: PMID:19121630 {source="Europe PMC"} xref: PMID:19335717 {source="Europe PMC"} xref: PMID:19355913 {source="Europe PMC"} xref: PMID:24650098 {source="Europe PMC"} xref: PMID:33624660 {source="Europe PMC"} xref: PMID:33965562 {source="Europe PMC"} xref: PMID:33968971 {source="Europe PMC"} xref: PMID:34207319 {source="Europe PMC"} xref: PMID:34219855 {source="Europe PMC"} xref: PMID:7738698 {source="Europe PMC"} xref: PMID:8235383 {source="Europe PMC"} xref: PMID:9040515 {source="Europe PMC"} xref: PMID:9420019 {source="Europe PMC"} xref: PMID:9565830 {source="Europe PMC"} xref: PMID:9683174 {source="Europe PMC"} xref: PMID:9781393 {source="Europe PMC"} xref: PMID:9808640 {source="Europe PMC"} xref: PMID:9808641 {source="Europe PMC"} xref: Reaxys:100781 {source="Reaxys"} xref: Wikipedia:Folic_Acid is_a: CHEBI:176842 ! vitamin B9 property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H19N7O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OVBPIULPVIDEAO-LBPRGKRZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "441.39750" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "441.13968" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Nc1nc2ncc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)nc2c(=O)[nH]1" xsd:string [Term] id: CHEBI:27475 name: cyanidin 3-O-beta-D-galactoside name: cyanidin 3-O-β-D-galactoside namespace: chebi_ontology alt_id: CHEBI:23428 alt_id: CHEBI:3973 def: "An anthocyanin cation that is cyanidin(1+) carrying a single beta-D-galactosyl substituent at position 3." [] subset: 3_STAR synonym: "3-(beta-D-galactopyranosyloxy)-3',4',5,7-tetrahydroxyflavylium" EXACT IUPAC_NAME [IUPAC] synonym: "Cyanidin 3-O-galactoside" RELATED [KEGG_COMPOUND] xref: Beilstein:3920159 {source="Beilstein"} xref: KEGG:C08647 xref: KNApSAcK:C00006652 xref: PMID:19351112 {source="Europe PMC"} xref: PMID:21302942 {source="Europe PMC"} xref: PMID:22739086 {source="Europe PMC"} xref: PMID:23215441 {source="Europe PMC"} xref: Reaxys:3920159 {source="Reaxys"} is_a: CHEBI:38695 ! anthocyanidin property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H21O11" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17+,18+,19-,21-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RKWHWFONKJEUEF-WVXKDWSHSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "449.38430" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "449.10784" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:27514 name: genistein 7-O-beta-D-glucoside name: genistein 7-O-β-D-glucoside namespace: chebi_ontology alt_id: CHEBI:24205 alt_id: CHEBI:5303 subset: 3_STAR synonym: "4',5,7-trihydroxyisoflavone 7-D-glucoside" RELATED [ChemIDplus] synonym: "5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "Genistein" RELATED [KEGG_COMPOUND] synonym: "Genistein 7-glucoside" RELATED [ChEBI] synonym: "Genistein 7-O-beta-D-glucoside" EXACT [KEGG_COMPOUND] synonym: "Genisteol 7-monoglucoside" RELATED [ChemIDplus] synonym: "Genistin" RELATED [KEGG_COMPOUND] synonym: "genistin" RELATED [] synonym: "Genistine" RELATED [ChemIDplus] synonym: "Genistoside" RELATED [ChemIDplus] xref: CAS:529-59-9 {source="ChemIDplus"} xref: CAS:529-59-9 {source="KEGG COMPOUND"} xref: KEGG:C09126 xref: KNApSAcK:C00002528 is_a: CHEBI:24278 ! glucoside property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H20O10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2/t15-,18-,19+,20-,21-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZCOLJUOHXJRHDI-CMWLGVBASA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "432.37750" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "432.10565" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@@H](O)[C@@H]1O" xsd:string [Term] id: CHEBI:27547 name: zeaxanthin namespace: chebi_ontology alt_id: CHEBI:10108 alt_id: CHEBI:27361 subset: 3_STAR synonym: "(3R,3'R)-beta,beta-carotene-3,3'-diol" EXACT IUPAC_NAME [IUPAC] synonym: "(3R,3'R)-dihydroxy-beta,beta-carotene" RELATED [ChEBI] synonym: "all-trans-beta-carotene-3,3'-diol" RELATED [ChEBI] synonym: "all-trans-zeaxanthin" RELATED [UniProt] synonym: "anchovyxanthin" RELATED [ChEBI] synonym: "beta,beta-carotene-3,3'-diol" RELATED [ChEBI] synonym: "Zeaxanthin" EXACT [KEGG_COMPOUND] xref: Beilstein:2068416 {source="Beilstein"} xref: CAS:144-68-3 {source="ChemIDplus"} xref: CAS:144-68-3 {source="KEGG COMPOUND"} xref: KEGG:C06098 xref: KNApSAcK:C00000931 xref: LIPID_MAPS_instance:LMPR01070261 {source="LIPID MAPS"} xref: MetaCyc:CPD1F-130 xref: Wikipedia:Zeaxanthin is_a: CHEBI:27325 ! xanthophyll property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C40H56O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JKQXZKUSFCKOGQ-QAYBQHTQSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "568.87144" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "568.42803" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(\\C=C\\C=C(C)\\C=C\\C1=C(C)C[C@@H](O)CC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C" xsd:string [Term] id: CHEBI:27552 name: 4'-methoxy-5,7-dihydroxyflavanone namespace: chebi_ontology alt_id: CHEBI:1733 alt_id: CHEBI:20258 def: "A dihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5 and 7 and a methoxy group at position 4' (the 2S stereoisomer)." [] subset: 3_STAR synonym: "(2S)-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-2,3-dihydro-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one" RELATED [ChemIDplus] synonym: "4'-Methylnaringenin" RELATED [KEGG_COMPOUND] synonym: "Isosakuranetin" RELATED [KEGG_COMPOUND] synonym: "isosakuranetin" RELATED [] synonym: "naringenin 4'-methyl ether" RELATED [ChEBI] xref: CAS:480-43-3 {source="ChemIDplus"} xref: CAS:480-43-3 {source="KEGG COMPOUND"} xref: KEGG:C05334 xref: KNApSAcK:C00000973 xref: LIPID_MAPS_instance:LMPK12140355 {source="LIPID MAPS"} xref: PMID:17401997 {source="Europe PMC"} xref: PMID:17880032 {source="Europe PMC"} xref: PMID:21384439 {source="Europe PMC"} xref: PMID:21864313 {source="Europe PMC"} xref: Reaxys:91627 {source="Reaxys"} xref: Wikipedia:Isosakuranetin is_a: CHEBI:5070 ! flavanone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H14O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HMUJXQRRKBLVOO-AWEZNQCLSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "286.27940" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "286.08412" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1" xsd:string [Term] id: CHEBI:27566 name: 6-prenylnaringenin namespace: chebi_ontology alt_id: CHEBI:20756 alt_id: CHEBI:2234 def: "A trihydroxyflavanone having a structure of naringenin prenylated at C-6." [] subset: 3_STAR synonym: "(2S)-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one" RELATED [ChemIDplus] synonym: "sophoraflavanone B" RELATED [ChEBI] xref: CAS:68236-13-5 {source="ChemIDplus"} xref: KNApSAcK:C00000997 xref: Reaxys:6233280 {source="Reaxys"} is_a: CHEBI:5070 ! flavanone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H20O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h3-7,9,17,21-22,24H,8,10H2,1-2H3/t17-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YHWNASRGLKJRJJ-KRWDZBQOSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "340.36980" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "340.13107" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)=CCc1c(O)cc2O[C@@H](CC(=O)c2c1O)c1ccc(O)cc1" xsd:string [Term] id: CHEBI:27570 name: histidine namespace: chebi_ontology alt_id: CHEBI:24598 alt_id: CHEBI:43118 alt_id: CHEBI:5733 def: "An alpha-amino acid that is propanoic acid bearing an amino substituent at position 2 and a 1H-imidazol-4-yl group at position 3." [] subset: 3_STAR synonym: "2-amino-3-(1H-imidazol-4-yl)propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-Amino-1H-imidazole-4-propionic acid" RELATED [KEGG_COMPOUND] synonym: "DL-Histidine" RELATED [KEGG_COMPOUND] synonym: "Histidin" RELATED [ChEBI] synonym: "histidina" RELATED [ChEBI] synonym: "Histidine" EXACT [KEGG_COMPOUND] synonym: "histidine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:84087 {source="Beilstein"} xref: CAS:4998-57-6 {source="ChemIDplus"} xref: Gmelin:3656 {source="Gmelin"} xref: KEGG:C00768 xref: KNApSAcK:C00001363 xref: PMID:17190852 {source="Europe PMC"} xref: PMID:22264337 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:29286160 {source="Europe PMC"} xref: Reaxys:84087 {source="Reaxys"} xref: Wikipedia:Histidine is_a: CHEBI:33709 ! amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H9N3O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HNDVDQJCIGZPNO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "155.15468" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "155.06948" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(Cc1c[nH]cn1)C(O)=O" xsd:string [Term] id: CHEBI:27589 name: procyanidin B4 namespace: chebi_ontology alt_id: CHEBI:26268 alt_id: CHEBI:8447 def: "A proanthocyanidin obtained by the condensation of (-)-epicatechin and (+)-catechin units." [] subset: 3_STAR synonym: "(2R,2'R,3S,3'R,4S)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol" EXACT IUPAC_NAME [IUPAC] synonym: "catechin-(4alpha->8)-epicatechin" RELATED [ChEBI] synonym: "Procyanidin B4" EXACT [KEGG_COMPOUND] xref: CAS:29106-51-2 {source="ChemIDplus"} xref: CAS:29106-51-2 {source="KEGG COMPOUND"} xref: HMDB:HMDB0013690 xref: KEGG:C10238 xref: KNApSAcK:C00002935 xref: LIPID_MAPS_instance:LMPK12030004 {source="LIPID MAPS"} xref: Patent:US2010047372 xref: Patent:WO2010021935 xref: PMID:17638329 {source="Europe PMC"} xref: PMID:17851427 {source="Europe PMC"} xref: PMID:22253995 {source="Europe PMC"} xref: PMID:22320845 {source="Europe PMC"} xref: Reaxys:3647174 {source="Reaxys"} xref: Wikipedia:Procyanidin_B4 is_a: CHEBI:26267 ! proanthocyanidin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C30H26O12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28-,29-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XFZJEEAOWLFHDH-VUGKQVTMSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "578.52020" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "578.14243" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[C@@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1" xsd:string [Term] id: CHEBI:27632 name: acetophenone namespace: chebi_ontology alt_id: CHEBI:22186 alt_id: CHEBI:2403 alt_id: CHEBI:40490 def: "A methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group." [] subset: 3_STAR synonym: "1-phenylethan-1-one" EXACT IUPAC_NAME [IUPAC] synonym: "1-Phenylethanone" RELATED [KEGG_COMPOUND] synonym: "1-phenylethanone" RELATED [ChEBI] synonym: "Acetophenone" EXACT [KEGG_COMPOUND] synonym: "acetophenone" EXACT [UniProt] synonym: "Acetylbenzene" RELATED [KEGG_COMPOUND] synonym: "benzoyl methide" RELATED [ChemIDplus] synonym: "Methyl phenyl ketone" RELATED [KEGG_COMPOUND] synonym: "Phenyl methyl ketone" RELATED [KEGG_COMPOUND] xref: CAS:98-86-2 {source="ChemIDplus"} xref: CAS:98-86-2 {source="NIST Chemistry WebBook"} xref: CAS:98-86-2 {source="KEGG COMPOUND"} xref: DrugBank:DB04619 xref: HMDB:HMDB0033910 xref: KEGG:C07113 xref: KNApSAcK:C00002685 xref: PMID:10397882 {source="Europe PMC"} xref: PMID:24634568 {source="Europe PMC"} xref: UM-BBD_compID:c0117 {source="UM-BBD"} xref: Wikipedia:Acetophenone is_a: CHEBI:51867 ! methyl ketone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H8O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KWOLFJPFCHCOCG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "120.14852" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.05751" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=O)c1ccccc1" xsd:string [Term] id: CHEBI:27680 name: galactomannan namespace: chebi_ontology alt_id: CHEBI:24146 alt_id: CHEBI:5255 def: "A heteroglycan consisting of a mannan backbone with galactose side groups." [] subset: 3_STAR xref: PMID:1375195 {source="Europe PMC"} xref: PMID:2426444 {source="Europe PMC"} is_a: CHEBI:18154 ! polysaccharide [Term] id: CHEBI:27693 name: sitosterol namespace: chebi_ontology alt_id: CHEBI:26692 alt_id: CHEBI:9170 def: "A member of the class of phytosterols that is stigmast-5-ene substituted by a beta-hydroxy group at position 3." [] subset: 3_STAR synonym: "(-)-beta-Sitosterol" RELATED [ChemIDplus] synonym: "(24R)-Ethylcholest-5-en-3beta-ol" RELATED [ChemIDplus] synonym: "(24R)-Stigmast-5-en-3beta-ol" RELATED [ChemIDplus] synonym: "(3beta)-Stigmast-5-en-3-ol" RELATED [ChemIDplus] synonym: "22,23-Dihydrostigmasterol" RELATED [ChemIDplus] synonym: "24alpha-Ethylcholesterol" RELATED [ChemIDplus] synonym: "alpha-Dihydrofucosterol" RELATED [ChemIDplus] synonym: "Azuprostat" RELATED [ChemIDplus] synonym: "beta-Sitosterin" RELATED [ChemIDplus] synonym: "beta-Sitosterol" RELATED [KEGG_COMPOUND] synonym: "Cupreol" RELATED [ChemIDplus] synonym: "Nimbosterol" RELATED [ChemIDplus] synonym: "Sitosterol" EXACT [KEGG_COMPOUND] synonym: "sitosterol" EXACT [UniProt] synonym: "stigmast-5-en-3beta-ol" EXACT IUPAC_NAME [IUPAC] synonym: "Triastonal" RELATED [ChemIDplus] xref: Beilstein:1916156 {source="Beilstein"} xref: CAS:83-46-5 {source="ChemIDplus"} xref: CAS:83-46-5 {source="NIST Chemistry WebBook"} xref: Drug_Central:2451 {source="DrugCentral"} xref: KEGG:C01753 xref: KEGG:D08518 xref: KNApSAcK:C00003672 xref: KNApSAcK:C00023770 xref: LIPID_MAPS_instance:LMST01040129 {source="LIPID MAPS"} xref: PMID:20525330 {source="Europe PMC"} xref: PMID:23199991 {source="Europe PMC"} xref: PMID:23215694 {source="Europe PMC"} xref: PMID:23250922 {source="Europe PMC"} xref: PMID:23266618 {source="Europe PMC"} xref: PMID:23516045 {source="Europe PMC"} xref: PMID:23624268 {source="Europe PMC"} is_a: CHEBI:26125 ! phytosterol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C29H50O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KZJWDPNRJALLNS-VJSFXXLFSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "414.70670" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "414.38617" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](CC)C(C)C" xsd:string [Term] id: CHEBI:27732 name: caffeine namespace: chebi_ontology alt_id: CHEBI:22982 alt_id: CHEBI:3295 alt_id: CHEBI:41472 def: "A trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. A purine alkaloid that occurs naturally in tea and coffee." [] subset: 3_STAR synonym: "1,3,7-trimethyl-2,6-dioxopurine" RELATED [ChemIDplus] synonym: "1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione" EXACT IUPAC_NAME [IUPAC] synonym: "1,3,7-trimethylpurine-2,6-dione" RELATED [IUPHAR] synonym: "1,3,7-Trimethylxanthine" RELATED [KEGG_COMPOUND] synonym: "1,3,7-trimethylxanthine" RELATED [NIST_Chemistry_WebBook] synonym: "1-methyltheobromine" RELATED [ChemIDplus] synonym: "3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion" RELATED [NIST_Chemistry_WebBook] synonym: "7-methyltheophylline" RELATED [NIST_Chemistry_WebBook] synonym: "anhydrous caffeine" RELATED [KEGG_DRUG] synonym: "cafeina" RELATED [ChemIDplus] synonym: "cafeine" RELATED [ChEBI] synonym: "CAFFEINE" EXACT [PDBeChem] synonym: "Caffeine" EXACT [KEGG_COMPOUND] synonym: "caffeine" EXACT [UniProt] synonym: "Coffein" RELATED [ChemIDplus] synonym: "guaranine" RELATED [IUPHAR] synonym: "Koffein" RELATED [ChemIDplus] synonym: "mateina" RELATED [ChemIDplus] synonym: "methyltheobromine" RELATED [IUPHAR] synonym: "teina" RELATED [ChEBI] synonym: "Thein" RELATED [ChemIDplus] synonym: "theine" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:17705 {source="Beilstein"} xref: CAS:58-08-2 {source="NIST Chemistry WebBook"} xref: CAS:58-08-2 {source="ChemIDplus"} xref: CAS:58-08-2 {source="KEGG COMPOUND"} xref: Drug_Central:463 {source="DrugCentral"} xref: DrugBank:DB00201 xref: Gmelin:103040 {source="Gmelin"} xref: HMDB:HMDB0001847 xref: KEGG:C07481 xref: KEGG:D00528 xref: KNApSAcK:C00001492 xref: LINCS:LSM-2026 xref: MetaCyc:1-3-7-TRIMETHYLXANTHINE xref: PDBeChem:CFF xref: PMID:10510174 {source="Europe PMC"} xref: PMID:10796597 {source="Europe PMC"} xref: PMID:10803761 {source="Europe PMC"} xref: PMID:10822912 {source="Europe PMC"} xref: PMID:10884512 {source="Europe PMC"} xref: PMID:10924888 {source="Europe PMC"} xref: PMID:10983026 {source="Europe PMC"} xref: PMID:11014293 {source="Europe PMC"} xref: PMID:11022879 {source="Europe PMC"} xref: PMID:11209966 {source="Europe PMC"} xref: PMID:11312039 {source="Europe PMC"} xref: PMID:11410911 {source="Europe PMC"} xref: PMID:11431501 {source="Europe PMC"} xref: PMID:11815511 {source="Europe PMC"} xref: PMID:11949272 {source="Europe PMC"} xref: PMID:12397877 {source="Europe PMC"} xref: PMID:12457274 {source="Europe PMC"} xref: PMID:12574990 {source="Europe PMC"} xref: PMID:12915014 {source="Europe PMC"} xref: PMID:12943586 {source="Europe PMC"} xref: PMID:14521986 {source="Europe PMC"} xref: PMID:14607010 {source="Europe PMC"} xref: PMID:15257305 {source="Europe PMC"} xref: PMID:15280431 {source="Europe PMC"} xref: PMID:15681408 {source="Europe PMC"} xref: PMID:15718055 {source="Europe PMC"} xref: PMID:15840517 {source="Europe PMC"} xref: PMID:16143823 {source="Europe PMC"} xref: PMID:16391865 {source="Europe PMC"} xref: PMID:16528931 {source="Europe PMC"} xref: PMID:16644114 {source="Europe PMC"} xref: PMID:16709440 {source="Europe PMC"} xref: PMID:16805851 {source="Europe PMC"} xref: PMID:16856769 {source="Europe PMC"} xref: PMID:17132260 {source="Europe PMC"} xref: PMID:17387608 {source="Europe PMC"} xref: PMID:17508167 {source="Europe PMC"} xref: PMID:17724925 {source="Europe PMC"} xref: PMID:17932622 {source="Europe PMC"} xref: PMID:17957400 {source="Europe PMC"} xref: PMID:18068204 {source="Europe PMC"} xref: PMID:18258404 {source="Europe PMC"} xref: PMID:18421070 {source="Europe PMC"} xref: PMID:18513215 {source="Europe PMC"} xref: PMID:18625110 {source="Europe PMC"} xref: PMID:18647558 {source="Europe PMC"} xref: PMID:19007524 {source="Europe PMC"} xref: PMID:19047957 {source="Europe PMC"} xref: PMID:19084078 {source="Europe PMC"} xref: PMID:19088793 {source="Europe PMC"} xref: PMID:19418355 {source="Europe PMC"} xref: PMID:19879252 {source="Europe PMC"} xref: PMID:20164568 {source="Europe PMC"} xref: PMID:20470411 {source="Europe PMC"} xref: PMID:22114686 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:23551936 {source="Europe PMC"} xref: PMID:24039592 {source="Europe PMC"} xref: PMID:7441110 {source="Europe PMC"} xref: PMID:7689104 {source="Europe PMC"} xref: PMID:8332255 {source="Europe PMC"} xref: PMID:8347173 {source="Europe PMC"} xref: PMID:8679661 {source="Europe PMC"} xref: PMID:9063686 {source="Europe PMC"} xref: PMID:9067318 {source="Europe PMC"} xref: PMID:9132918 {source="Europe PMC"} xref: PMID:9218278 {source="Europe PMC"} xref: Reaxys:17705 {source="Reaxys"} xref: Wikipedia:Caffeine is_a: CHEBI:22315 ! alkaloid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H10N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RYYVLZVUVIJVGH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "194.19076" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "194.08038" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cn1cnc2n(C)c(=O)n(C)c(=O)c12" xsd:string [Term] id: CHEBI:27781 name: myristoleic acid namespace: chebi_ontology alt_id: CHEBI:25454 alt_id: CHEBI:7058 def: "A tetradecenoic acid in which the double bond is at the 9-10 position and has Z configuration. Myristoleic acid has been isolated from Serenoa repens and has cytotoxic and apoptosis-inducing effects." [] subset: 3_STAR synonym: "(9Z)-tetradec-9-enoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(9Z)-Tetradecenoic acid" RELATED [KEGG_COMPOUND] synonym: "(Z)-Tetradec-9-enoic acid" RELATED [KEGG_COMPOUND] synonym: "9-Tetradecenoic acid" RELATED [KEGG_COMPOUND] synonym: "9Z-tetradecenoic acid" RELATED [ChEBI] synonym: "cis-9-tetradecenoic acid" RELATED [ChEBI] synonym: "cis-Delta(9)-tetradecenoic acid" RELATED [ChEBI] synonym: "cis-tetradec-9-enoic acid" RELATED [ChEBI] synonym: "Myristoleic acid" EXACT [KEGG_COMPOUND] xref: Beilstein:1724311 {source="Beilstein"} xref: CAS:544-64-9 {source="ChemIDplus"} xref: CAS:544-64-9 {source="KEGG COMPOUND"} xref: HMDB:HMDB0002000 xref: KEGG:C08322 xref: KNApSAcK:C00001229 xref: LIPID_MAPS_instance:LMFA01030051 {source="LIPID MAPS"} xref: PMID:11304730 {source="Europe PMC"} xref: PMID:11380153 {source="Europe PMC"} xref: PMID:19761868 {source="Europe PMC"} xref: Reaxys:1724311 {source="Reaxys"} xref: Wikipedia:Myristoleic_acid is_a: CHEBI:25413 ! monounsaturated fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H26O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YWWVWXASSLXJHU-WAYWQWQTSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "226.35500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "226.19328" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCC\\C=C/CCCCCCCC(O)=O" xsd:string [Term] id: CHEBI:27843 name: cyanidin cation namespace: chebi_ontology alt_id: CHEBI:23425 alt_id: CHEBI:3970 def: "An anthocyanidin cation that is flavylium substituted at positions 3, 3', 4', 5 and 7 by hydroxy groups." [] subset: 3_STAR synonym: "2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-1-Benzopyrylium" RELATED [ChemIDplus] synonym: "2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromenium" EXACT IUPAC_NAME [IUPAC] synonym: "2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromenylium" RELATED [IUPAC] synonym: "3,3',4',5,7-pentahydroxyflavylium" RELATED [ChEBI] synonym: "3,5,7,3',4'-Pentahydroxyflavylium" RELATED [ChemIDplus] synonym: "Cyanidin" RELATED [ChemIDplus] synonym: "Cyanidin" RELATED [KEGG_COMPOUND] synonym: "cyanidin" RELATED [] synonym: "Cyanidine" RELATED [KEGG_COMPOUND] synonym: "Cyanidol" RELATED [KEGG_COMPOUND] xref: Beilstein:1690254 {source="Beilstein"} xref: CAS:13306-05-3 {source="ChemIDplus"} xref: KEGG:C05905 xref: KNApSAcK:C00006614 xref: LIPID_MAPS_instance:LMPK12010002 {source="LIPID MAPS"} xref: MetaCyc:CPD-591 xref: PMID:23123597 {source="Europe PMC"} xref: PMID:23360684 {source="Europe PMC"} xref: PMID:23375153 {source="Europe PMC"} xref: PMID:23389674 {source="Europe PMC"} xref: Reaxys:1690254 {source="Reaxys"} xref: Wikipedia:Cyanidin is_a: CHEBI:38695 ! anthocyanidin property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H11O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VEVZSMAEJFVWIL-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "287.24420" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "287.05501" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1cc(O)c2cc(O)c([o+]c2c1)-c1ccc(O)c(O)c1" xsd:string [Term] id: CHEBI:27897 name: tryptophan namespace: chebi_ontology alt_id: CHEBI:27163 alt_id: CHEBI:9769 def: "An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3." [] subset: 3_STAR synonym: "2-amino-3-(1H-indol-3-yl)propanoic acid" RELATED [IUPAC] synonym: "alpha-Amino-beta-(3-indolyl)-propionic acid" RELATED [KEGG_COMPOUND] synonym: "alpha-amino-beta-3-indolepropionic acid" RELATED [ChEBI] synonym: "beta-3-indolylalanine" RELATED [ChEBI] synonym: "Htrp" RELATED [IUPAC] synonym: "triptofano" RELATED [ChEBI] synonym: "Trp" RELATED [ChEBI] synonym: "Tryptophan" EXACT [KEGG_COMPOUND] synonym: "tryptophan" EXACT IUPAC_NAME [IUPAC] synonym: "tryptophane" RELATED [ChEBI] synonym: "W" RELATED [ChEBI] xref: Beilstein:86196 {source="Beilstein"} xref: CAS:54-12-6 {source="KEGG COMPOUND"} xref: CAS:54-12-6 {source="ChemIDplus"} xref: CAS:54-12-6 {source="NIST Chemistry WebBook"} xref: Gmelin:4532 {source="Gmelin"} xref: KEGG:C00806 xref: KNApSAcK:C00001396 xref: LINCS:LSM-36836 xref: PMID:17439666 {source="Europe PMC"} xref: PMID:22264337 {source="Europe PMC"} xref: Reaxys:86196 {source="Reaxys"} xref: Wikipedia:Tryptophan is_a: CHEBI:33709 ! amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H12N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QIVBCDIJIAJPQS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "204.22526" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "204.08988" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(Cc1c[nH]c2ccccc12)C(O)=O" xsd:string [Term] id: CHEBI:27945 name: isoflavanone namespace: chebi_ontology alt_id: CHEBI:24890 alt_id: CHEBI:6012 def: "Isoflavone in which the double bond between positions 2 and 3 has been reduced to a single bond." [] subset: 3_STAR synonym: "2,3-dihydro-3-phenyl-4H-1-benzopyran-4-one" RELATED [ChEBI] synonym: "3-phenyl-2,3-dihydro-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "3-phenylchroman-4-one" RELATED [ChEBI] synonym: "Isoflavanone" EXACT [KEGG_COMPOUND] xref: Beilstein:1621056 {source="Beilstein"} xref: CAS:4737-27-3 {source="ChemIDplus"} xref: KEGG:C01927 is_a: CHEBI:50753 ! isoflavonoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H12O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H12O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-9,13H,10H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RTRZOHKLISMNRD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "224.25460" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "224.08373" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C1C(COc2ccccc12)c1ccccc1" xsd:string [Term] id: CHEBI:27956 name: L-dehydroascorbic acid namespace: chebi_ontology alt_id: CHEBI:21279 alt_id: CHEBI:21280 alt_id: CHEBI:6210 def: "Dehydroascorbic acid having the L-configuration." [] subset: 3_STAR synonym: "(5R)-5-[(1S)-1,2-dihydroxyethyl]furan-2,3,4(5H)-trione" EXACT IUPAC_NAME [IUPAC] synonym: "dehydro-L-ascorbic acid" RELATED [ChemIDplus] synonym: "Dehydroascorbic acid" RELATED [KEGG_COMPOUND] synonym: "dehydroascorbic acid" RELATED [ChemIDplus] synonym: "DHAA" RELATED [ChemIDplus] synonym: "L-Dehydroascorbate" RELATED [KEGG_COMPOUND] synonym: "L-Dehydroascorbic acid" EXACT [KEGG_COMPOUND] synonym: "L-threo-2,3-hexodiulosonic acid, gamma-lactone" RELATED [ChemIDplus] synonym: "L-threo-hexo-2,3-diulosono-1,4-lactone" RELATED [ChemIDplus] synonym: "oxidized ascorbic acid" RELATED [ChemIDplus] synonym: "oxidized vitamin C" RELATED [ChemIDplus] xref: Beilstein:84277 {source="Beilstein"} xref: CAS:490-83-5 {source="ChemIDplus"} xref: CAS:490-83-5 {source="KEGG COMPOUND"} xref: Gmelin:51038 {source="Gmelin"} xref: KEGG:C05422 xref: KNApSAcK:C00007380 xref: PMID:15013385 {source="Europe PMC"} xref: PMID:18813862 {source="Europe PMC"} xref: PMID:23543734 {source="Europe PMC"} xref: PMID:9506998 {source="Europe PMC"} xref: Reaxys:84277 {source="Reaxys"} is_a: CHEBI:22652 ! ascorbic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H6O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2/t2-,5+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SBJKKFFYIZUCET-JLAZNSOCSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "174.10824" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "174.01644" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]1(OC(=O)C(=O)C1=O)[C@@H](O)CO" xsd:string [Term] id: CHEBI:27997 name: elaidic acid namespace: chebi_ontology alt_id: CHEBI:10546 alt_id: CHEBI:23903 alt_id: CHEBI:42209 def: "A 9-octadecenoic acid and the trans-isomer of oleic acid." [] subset: 3_STAR synonym: "(9E)-octadec-9-enoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(9E)-Octadecenoic acid" RELATED [KEGG_COMPOUND] synonym: "(E)-Oleic acid" RELATED [KEGG_COMPOUND] synonym: "9-OCTADECENOIC ACID" RELATED [PDBeChem] synonym: "9-Octadecenoic acid, (E)-" RELATED [KEGG_COMPOUND] synonym: "9-trans-Octadecenoic acid" RELATED [KEGG_COMPOUND] synonym: "Acide elaidique" RELATED [KEGG_COMPOUND] synonym: "D9-trans-Octadecenoic acid" RELATED [KEGG_COMPOUND] synonym: "Elaidic acid" EXACT [KEGG_COMPOUND] synonym: "Elaidinsaeure" RELATED [ChEBI] synonym: "Elaidinsaure" RELATED [KEGG_COMPOUND] synonym: "trans-9-Octadecenoic acid" RELATED [KEGG_COMPOUND] synonym: "trans-D9-Octadecenoic acid" RELATED [KEGG_COMPOUND] synonym: "trans-Delta(9)-octadecenoic acid" RELATED [ChemIDplus] synonym: "trans-Elaidic acid" RELATED [KEGG_COMPOUND] synonym: "trans-Oleic acid" RELATED [KEGG_COMPOUND] xref: Beilstein:1726543 {source="Beilstein"} xref: CAS:112-79-8 {source="KEGG COMPOUND"} xref: CAS:112-79-8 {source="ChemIDplus"} xref: CAS:112-79-8 {source="NIST Chemistry WebBook"} xref: Gmelin:171874 {source="Gmelin"} xref: HMDB:HMDB0000573 xref: KEGG:C01712 xref: LIPID_MAPS_instance:LMFA01030073 {source="LIPID MAPS"} xref: PDBeChem:ELA xref: PMID:10342226 {source="Europe PMC"} xref: PMID:23601386 {source="Europe PMC"} xref: PMID:24800387 {source="Europe PMC"} xref: PMID:8018112 {source="Europe PMC"} xref: PMID:881948 {source="Europe PMC"} xref: Reaxys:1726543 {source="Reaxys"} xref: Wikipedia:Elaidic_acid is_a: CHEBI:25413 ! monounsaturated fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H34O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZQPPMHVWECSIRJ-MDZDMXLPSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "282.46140" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "282.25588" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCC\\C=C\\CCCCCCCC(O)=O" xsd:string [Term] id: CHEBI:28017 name: starch namespace: chebi_ontology alt_id: CHEBI:26750 alt_id: CHEBI:26751 alt_id: CHEBI:9251 def: "The most important reserve polysaccharide found in plants. It is a glucan consisting of amylose and amylopectin." [] subset: 3_STAR synonym: "amidon" RELATED [ChEBI] synonym: "amylum" RELATED [ChEBI] synonym: "Staerke" RELATED [ChEBI] synonym: "Starch" EXACT [KEGG_COMPOUND] xref: CAS:9005-25-8 {source="ChemIDplus"} xref: CAS:9005-25-8 {source="KEGG COMPOUND"} xref: KEGG:C00369 xref: KEGG:D06507 xref: KEGG:G10545 xref: Wikipedia:Starch is_a: CDNO:0000003 ! available carbohydrate is_a: CHEBI:18154 ! polysaccharide [Term] id: CHEBI:28044 name: phenylalanine namespace: chebi_ontology alt_id: CHEBI:25984 alt_id: CHEBI:8089 def: "An aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group." [] subset: 3_STAR synonym: "2-amino-3-phenylpropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-Amino-beta-phenylpropionic acid" RELATED [KEGG_COMPOUND] synonym: "DL-Phenylalanine" RELATED [KEGG_COMPOUND] synonym: "F" RELATED [ChEBI] synonym: "fenilalanina" RELATED [ChEBI] synonym: "PHE" RELATED [ChEBI] synonym: "Phenylalanin" RELATED [ChEBI] synonym: "Phenylalanine" EXACT [KEGG_COMPOUND] synonym: "phenylalanine" EXACT [ChEBI] synonym: "phenylalanine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1910407 {source="Beilstein"} xref: CAS:150-30-1 {source="ChemIDplus"} xref: CAS:150-30-1 {source="NIST Chemistry WebBook"} xref: Gmelin:50836 {source="Gmelin"} xref: KEGG:C02057 xref: PMID:17439666 {source="Europe PMC"} xref: PMID:22264337 {source="Europe PMC"} xref: Reaxys:1910407 {source="Reaxys"} xref: Wikipedia:Phenylalanine is_a: CHEBI:33709 ! amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H11NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "COLNVLDHVKWLRT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "165.18918" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "165.07898" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(Cc1ccccc1)C(O)=O" xsd:string [Term] id: CHEBI:28057 name: amylopectin namespace: chebi_ontology alt_id: CHEBI:22538 alt_id: CHEBI:2693 def: "A polydisperse highly branched polysaccharide derivative composed of chains of D-glucopyranose residues in alpha(1->4) glycosidic linkage. The chains are joined together by alpha(1->6) glycosidic linkages. A small number of alpha(1->3) glycosidic linkages and some 6-phosphate ester groups also may occur. The branches in amylopectin typically contain 24 to 30 glucose residues." [] subset: 3_STAR synonym: "Amylopectin" EXACT [KEGG_COMPOUND] xref: CAS:9037-22-3 {source="ChemIDplus"} xref: KEGG:C00317 is_a: CHEBI:18154 ! polysaccharide [Term] id: CHEBI:28064 name: cyanidin 3-O-rutinoside namespace: chebi_ontology alt_id: CHEBI:23430 alt_id: CHEBI:3975 def: "A rutinoside consisting of cyanidin having the rutinosyl group at the 3-position." [] subset: 3_STAR synonym: "2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "Cyanidin 3-O-rhamnosylglucoside" RELATED [KEGG_COMPOUND] synonym: "Cyanidin 3-O-rutinoside" EXACT [KEGG_COMPOUND] synonym: "Cyanidin 3-rhamnoglucoside" RELATED [ChEBI] xref: Drug_Central:3975 {source="DrugCentral"} xref: KEGG:C08620 xref: KNApSAcK:C00002376 xref: Reaxys:1838004 {source="Reaxys"} xref: Wikipedia:Antirrhinin is_a: CHEBI:38695 ! anthocyanidin property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H31O15" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "USNPULRDBDVJAO-FXCAAIILSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "595.52604" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "595.16575" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:28088 name: genistein namespace: chebi_ontology alt_id: CHEBI:24204 alt_id: CHEBI:42763 alt_id: CHEBI:5302 def: "A 7-hydroxyisoflavone with additional hydroxy groups at positions 5 and 4'. It is a phytoestrogenic isoflavone with antioxidant properties." [] subset: 3_STAR synonym: "4',5,7-trihydroxyisoflavone" RELATED [ChEBI] synonym: "4',5,7-trihydroxyisoflavone" RELATED [ChemIDplus] synonym: "5,7,4'-Trihydroxyisoflavone" RELATED [KEGG_COMPOUND] synonym: "5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one" RELATED [ChEBI] synonym: "5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "GENISTEIN" EXACT [PDBeChem] synonym: "Genistein" EXACT [KEGG_COMPOUND] synonym: "Prunetol" RELATED BRAND_NAME [DrugBank] synonym: "Sophoricol" RELATED BRAND_NAME [DrugBank] xref: Beilstein:263823 {source="Beilstein"} xref: CAS:446-72-0 {source="ChemIDplus"} xref: CAS:446-72-0 {source="KEGG COMPOUND"} xref: Chemspider:4444448 xref: DrugBank:DB01645 xref: FooDB:FDB011828 xref: HMDB:HMDB0003217 xref: KEGG:C06563 xref: KEGG:D11680 xref: KNApSAcK:C00002526 xref: LINCS:LSM-5549 xref: LIPID_MAPS_instance:LMPK12050218 {source="LIPID MAPS"} xref: MetaCyc:CPD-3141 xref: PDBeChem:GEN xref: PMID:10469641 {source="Europe PMC"} xref: PMID:10741415 {source="Europe PMC"} xref: PMID:10912792 {source="Europe PMC"} xref: PMID:11564287 {source="Europe PMC"} xref: PMID:12629420 {source="Europe PMC"} xref: PMID:14654166 {source="Europe PMC"} xref: PMID:15196699 {source="Europe PMC"} xref: PMID:15288519 {source="Europe PMC"} xref: PMID:15576033 {source="Europe PMC"} xref: PMID:15772566 {source="Europe PMC"} xref: PMID:15833883 {source="Europe PMC"} xref: PMID:15853412 {source="Europe PMC"} xref: PMID:16061678 {source="Europe PMC"} xref: PMID:16166295 {source="Europe PMC"} xref: PMID:17004897 {source="Europe PMC"} xref: PMID:17979711 {source="Europe PMC"} xref: PMID:18344977 {source="Europe PMC"} xref: PMID:18413741 {source="Europe PMC"} xref: PMID:18490856 {source="Europe PMC"} xref: PMID:18815740 {source="Europe PMC"} xref: PMID:19107852 {source="Europe PMC"} xref: PMID:19402570 {source="Europe PMC"} xref: PMID:20211733 {source="Europe PMC"} xref: PMID:22303062 {source="Europe PMC"} xref: PMID:24023812 {source="Europe PMC"} xref: PMID:24297371 {source="Europe PMC"} xref: PMID:24379139 {source="Europe PMC"} xref: PMID:25593647 {source="Europe PMC"} xref: PMID:26322379 {source="Europe PMC"} xref: PMID:28166217 {source="Europe PMC"} xref: PMID:28259640 {source="Europe PMC"} xref: PMID:34314575 {source="Europe PMC"} xref: Reaxys:263823 {source="Reaxys"} xref: Wikipedia:Genistein is_a: CHEBI:38755 ! hydroxyisoflavone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H10O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TZBJGXHYKVUXJN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "270.240" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "270.05282" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC1=CC=C(C=C1)C1=COC2=C(C(O)=CC(O)=C2)C1=O" xsd:string [Term] id: CHEBI:28102 name: amylose namespace: chebi_ontology alt_id: CHEBI:22539 alt_id: CHEBI:2694 def: "A glucan composed of unbranched chains of D-glucopyranose residues in alpha(1->4) glycosidic linkage. The number of repeated glucose subunits (n) is usually in the range of 300 to 3000, but can be many thousands. One of the two components of starch (the other, 70-80%, being amylopectin). Cf. linear maltodextrin, in which the chain length is typically between 3 and 17 glucose units." [] subset: 3_STAR synonym: "(1,4-alpha-D-Glucosyl)n" RELATED [KEGG_COMPOUND] synonym: "(1,4-alpha-D-Glucosyl)n+1" RELATED [KEGG_COMPOUND] synonym: "(1,4-alpha-D-Glucosyl)n-1" RELATED [KEGG_COMPOUND] synonym: "(1->4)-alpha-D-glucopyranan" EXACT IUPAC_NAME [IUPAC] synonym: "1,4-alpha-D-Glucan" RELATED [KEGG_COMPOUND] synonym: "4-{(1,4)-alpha-D-Glucosyl}(n-1)-D-glucose" RELATED [KEGG_COMPOUND] synonym: "Amylose" EXACT [KEGG_COMPOUND] synonym: "Amylose chain" RELATED [KEGG_COMPOUND] xref: CAS:9005-82-7 {source="ChemIDplus"} xref: CAS:9005-82-7 {source="KEGG COMPOUND"} xref: HMDB:HMDB0003403 xref: KEGG:C00718 xref: KEGG:D02329 xref: KEGG:G10495 xref: PMID:24162153 {source="Europe PMC"} xref: PMID:24299760 {source="Europe PMC"} xref: PMID:24491702 {source="Europe PMC"} xref: PMID:24505384 {source="Europe PMC"} xref: Reaxys:8194785 {source="Reaxys"} xref: Wikipedia:Amylose is_a: CHEBI:18154 ! polysaccharide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "(C6H10O5)nH2O" xsd:string [Term] id: CHEBI:28157 name: pinocembrin namespace: chebi_ontology alt_id: CHEBI:26139 alt_id: CHEBI:69684 alt_id: CHEBI:75100 alt_id: CHEBI:8221 def: "A dihydroxyflavanone in which the two hydroxy groups are located at positions 5 and 7. A natural product found in Piper sarmentosum and Cryptocarya chartacea." [] subset: 3_STAR synonym: "(2S)-5,7-dihydroxy-2-phenyl-2,3-dihydro-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "(2S)-pinocembrin" RELATED [HMDB] synonym: "(S)-2,3-Dihydro-5,7-dihydroxy-2-phenyl-4H-1-benzopyran-4-one" RELATED [ChemIDplus] synonym: "(S)-5,7-dihydroxyflavanone" RELATED [ChEBI] synonym: "(S)-pinocembrin" RELATED [UniProt] synonym: "5,7-Dihydroxyflavanone" RELATED [KEGG_COMPOUND] synonym: "Dihydrochrysin" RELATED [ChemIDplus] synonym: "Galangin flavanone" RELATED [HMDB] xref: CAS:480-39-7 {source="KEGG COMPOUND"} xref: CAS:480-39-7 {source="ChemIDplus"} xref: HMDB:HMDB0030808 xref: KEGG:C09827 xref: KNApSAcK:C00000992 xref: LINCS:LSM-4126 xref: LIPID_MAPS_instance:LMPK12140214 {source="LIPID MAPS"} xref: MetaCyc:CPD-6991 xref: PMID:21973101 {source="Europe PMC"} xref: PMID:22050318 {source="Europe PMC"} xref: PMID:23179089 {source="Europe PMC"} xref: PMID:23212747 {source="Europe PMC"} xref: PMID:23594163 {source="Europe PMC"} xref: PMID:23611777 {source="Europe PMC"} xref: PMID:23669639 {source="Europe PMC"} xref: PMID:23697399 {source="Europe PMC"} xref: PMID:23725831 {source="Europe PMC"} xref: PMID:23725838 {source="Europe PMC"} xref: PMID:23847074 {source="Europe PMC"} xref: Reaxys:88951 {source="Reaxys"} xref: Wikipedia:Pinocembrin is_a: CHEBI:5070 ! flavanone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H12O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "URFCJEUYXNAHFI-ZDUSSCGKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "256.25340" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "256.07356" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccccc1" xsd:string [Term] id: CHEBI:28197 name: daidzein namespace: chebi_ontology alt_id: CHEBI:23558 alt_id: CHEBI:4306 def: "A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by an additional hydroxy group at position 4'." [] subset: 3_STAR synonym: "4',7-dihydroxyisoflavone" RELATED [ChEBI] synonym: "4',7-dihydroxyisoflavone" RELATED [ChemIDplus] synonym: "7,4'-dihydroxyisoflavone" RELATED [ChemIDplus] synonym: "7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone" RELATED [ChEBI] synonym: "7-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one" RELATED [ChemIDplus] synonym: "7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "Daidzein" EXACT [KEGG_COMPOUND] synonym: "daidzeol" RELATED [ChEBI] synonym: "isoaurostatin" RELATED [ChEBI] xref: Beilstein:231523 {source="Beilstein"} xref: CAS:486-66-8 {source="ChemIDplus"} xref: CAS:486-66-8 {source="KEGG COMPOUND"} xref: HMDB:HMDB0003312 xref: KEGG:C10208 xref: KNApSAcK:C00009380 xref: LINCS:LSM-2935 xref: LIPID_MAPS_instance:LMPK12050038 {source="LIPID MAPS"} xref: MetaCyc:DAIDZEIN xref: PMID:11193416 {source="Europe PMC"} xref: PMID:16802696 {source="Europe PMC"} xref: PMID:23267126 {source="Europe PMC"} xref: PMID:23337939 {source="Europe PMC"} xref: PMID:23342971 {source="Europe PMC"} xref: PMID:23439294 {source="Europe PMC"} xref: PMID:9544566 {source="Europe PMC"} xref: Reaxys:231523 {source="Reaxys"} xref: Wikipedia:Daidzein is_a: CHEBI:38755 ! hydroxyisoflavone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H10O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZQSIJRDFPHDXIC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "254.23750" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "254.05791" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O" xsd:string [Term] id: CHEBI:28230 name: hesperetin namespace: chebi_ontology alt_id: CHEBI:24529 alt_id: CHEBI:5681 def: "A trihydroxyflavanone having the three hydroxy gropus located at the 3'-, 5- and 7-positions and an additional methoxy substituent at the 4'-position." [] subset: 3_STAR synonym: "(-)-(S)-hesperetin" RELATED [ChEBI] synonym: "(-)-hesperetin" RELATED [ChEBI] synonym: "(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "(2S)-hesperetin" RELATED [UniProt] synonym: "(S)-2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one" RELATED [ChEBI] synonym: "3',5,7-Trihydroxy-4'-methoxyflavanone" RELATED [KEGG_COMPOUND] synonym: "Hesperetin" EXACT [KEGG_COMPOUND] xref: Beilstein:92705 {source="Beilstein"} xref: CAS:520-33-2 {source="ChemIDplus"} xref: CAS:520-33-2 {source="KEGG COMPOUND"} xref: Drug_Central:1362 {source="DrugCentral"} xref: DrugBank:DB01094 xref: HMDB:HMDB0005782 xref: KEGG:C01709 xref: KNApSAcK:C00000968 xref: LINCS:LSM-20933 xref: LIPID_MAPS_instance:LMPK12140003 {source="LIPID MAPS"} xref: MetaCyc:CPD-7072 xref: PMID:16964766 {source="Europe PMC"} xref: PMID:22409373 {source="Europe PMC"} xref: PMID:22794525 {source="Europe PMC"} xref: PMID:22899565 {source="Europe PMC"} xref: PMID:22903244 {source="Europe PMC"} xref: Reaxys:92705 {source="Reaxys"} xref: Wikipedia:Hesperetin is_a: CHEBI:5070 ! flavanone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H14O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AIONOLUJZLIMTK-AWEZNQCLSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "302.27880" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "302.07904" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1" xsd:string [Term] id: CHEBI:28260 name: galactose namespace: chebi_ontology alt_id: CHEBI:24162 alt_id: CHEBI:33933 alt_id: CHEBI:5256 def: "An aldohexose that is the C-4 epimer of glucose." [] subset: 3_STAR synonym: "Gal" RELATED [JCBN] synonym: "galacto-hexose" EXACT IUPAC_NAME [IUPAC] synonym: "Galactose" EXACT [KEGG_COMPOUND] synonym: "galactose" EXACT IUPAC_NAME [IUPAC] synonym: "Galaktose" RELATED [ChEBI] xref: CAS:26566-61-0 {source="NIST Chemistry WebBook"} xref: CAS:26566-61-0 {source="ChemIDplus"} xref: KEGG:C01582 xref: Wikipedia:Galactose is_a: CDNO:0000004 ! free sugar is_a: CHEBI:35381 ! monosaccharide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "180.156" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "180.06339" xsd:string [Term] id: CHEBI:28262 name: dimethyl sulfoxide namespace: chebi_ontology alt_id: CHEBI:23801 alt_id: CHEBI:42138 alt_id: CHEBI:4612 def: "A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents." [] subset: 3_STAR synonym: "(CH3)2SO" RELATED [NIST_Chemistry_WebBook] synonym: "(methanesulfinyl)methane" EXACT IUPAC_NAME [IUPAC] synonym: "DIMETHYL SULFOXIDE" EXACT [PDBeChem] synonym: "Dimethyl sulfoxide" EXACT [KEGG_COMPOUND] synonym: "dimethyl sulfoxide" EXACT [UniProt] synonym: "dimethyl sulfoxide" EXACT IUPAC_NAME [IUPAC] synonym: "dimethyl sulfoxide" RELATED INN [ChemIDplus] synonym: "dimethyl sulfur oxide" RELATED [NIST_Chemistry_WebBook] synonym: "dimethyl sulphoxide" RELATED [ChemIDplus] synonym: "dimethyli sulfoxidum" RELATED INN [ChemIDplus] synonym: "Dimethylsulfoxid" RELATED [ChEBI] synonym: "dimethylsulfoxyde" RELATED INN [ChemIDplus] synonym: "dimetil sulfoxido" RELATED INN [ChemIDplus] synonym: "DMSO" RELATED [KEGG_COMPOUND] synonym: "dmso" RELATED [IUPAC] synonym: "methylsulfinylmethane" RELATED [ChemIDplus] synonym: "S(O)Me2" RELATED [ChEBI] synonym: "sulfinylbis(methane)" RELATED [ChemIDplus] xref: Beilstein:506008 {source="Beilstein"} xref: CAS:67-68-5 {source="NIST Chemistry WebBook"} xref: CAS:67-68-5 {source="ChemIDplus"} xref: CAS:67-68-5 {source="KEGG COMPOUND"} xref: Chemspider:659 xref: Drug_Central:906 {source="DrugCentral"} xref: DrugBank:DB01093 xref: FooDB:FDB000764 xref: Gmelin:1556 {source="Gmelin"} xref: HMDB:HMDB0002151 xref: KEGG:C11143 xref: KEGG:D01043 xref: KNApSAcK:C00053120 xref: LINCS:LSM-36361 xref: MetaCyc:DMSO xref: PDBeChem:DMS xref: PMID:10298633 {source="Europe PMC"} xref: PMID:11162043 {source="Europe PMC"} xref: PMID:11350866 {source="Europe PMC"} xref: PMID:11474739 {source="Europe PMC"} xref: PMID:12663039 {source="Europe PMC"} xref: PMID:15237653 {source="Europe PMC"} xref: PMID:15588915 {source="Europe PMC"} xref: PMID:15868171 {source="Europe PMC"} xref: PMID:16434015 {source="Europe PMC"} xref: PMID:16522014 {source="Europe PMC"} xref: PMID:19096138 {source="Europe PMC"} xref: PMID:19382398 {source="Europe PMC"} xref: PMID:19443933 {source="Europe PMC"} xref: PMID:20828537 {source="Europe PMC"} xref: PMID:21426213 {source="Europe PMC"} xref: PMID:22030943 {source="Europe PMC"} xref: PMID:22722716 {source="Europe PMC"} xref: PMID:22768202 {source="Europe PMC"} xref: PMID:22814967 {source="Europe PMC"} xref: PMID:23050031 {source="Europe PMC"} xref: PMID:23313473 {source="Europe PMC"} xref: PMID:28220525 {source="Europe PMC"} xref: PMID:29938311 {source="Europe PMC"} xref: PMID:31489176 {source="Europe PMC"} xref: PMID:3510103 {source="Europe PMC"} xref: PMID:3898376 {source="Europe PMC"} xref: PMID:3916302 {source="Europe PMC"} xref: PMID:4223708 {source="Europe PMC"} xref: PMID:4556944 {source="Europe PMC"} xref: PMID:4963226 {source="Europe PMC"} xref: PMID:6309056 {source="Europe PMC"} xref: PMID:6379027 {source="Europe PMC"} xref: Reaxys:506008 {source="Reaxys"} xref: UM-BBD_compID:c0236 {source="UM-BBD"} xref: Wikipedia:Dimethyl_sulfoxide is_a: CHEBI:33261 ! organosulfur compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C2H6OS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IAZDPXIOMUYVGZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "78.13444" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "78.01394" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CS(C)=O" xsd:string [Term] id: CHEBI:28300 name: glutamine namespace: chebi_ontology alt_id: CHEBI:24316 alt_id: CHEBI:5432 def: "An alpha-amino acid that consists of butyric acid bearing an amino substituent at position 2 and a carbamoyl substituent at position 4." [] subset: 3_STAR synonym: "2,5-diamino-5-oxopentanoic acid" RELATED [IUPAC] synonym: "2-amino-4-carbamoylbutanoic acid" RELATED [JCBN] synonym: "2-Aminoglutaramic acid" RELATED [KEGG_COMPOUND] synonym: "glutamic acid gamma-amide" RELATED [ChEBI] synonym: "Glutamin" RELATED [ChEBI] synonym: "Glutamine" EXACT [KEGG_COMPOUND] synonym: "glutamine" EXACT IUPAC_NAME [IUPAC] synonym: "Glutaminsaeure-5-amid" RELATED [ChEBI] synonym: "Hgln" RELATED [IUPAC] xref: Beilstein:1723795 {source="Beilstein"} xref: CAS:585-21-7 {source="ChemIDplus"} xref: CAS:6899-04-3 {source="KEGG COMPOUND"} xref: CAS:6899-04-3 {source="ChemIDplus"} xref: Gmelin:27318 {source="Gmelin"} xref: KEGG:C00303 xref: KNApSAcK:C00001359 xref: Reaxys:1723795 {source="Reaxys"} xref: Wikipedia:Glutamine is_a: CHEBI:33709 ! amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10N2O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZDXPYRJPNDTMRX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "146.14458" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "146.06914" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(CCC(N)=O)C(O)=O" xsd:string [Term] id: CHEBI:28346 name: mescaline namespace: chebi_ontology alt_id: CHEBI:25202 alt_id: CHEBI:6776 def: "A phenethylamine alkaloid that is phenethylamine substituted at positions 3, 4 and 5 by methoxy groups." [] subset: 3_STAR synonym: "1-amino-2-(3,4,5-trimethoxyphenyl)ethane" RELATED [ChemIDplus] synonym: "2-(3,4,5-trimethoxyphenyl)ethanamine" EXACT IUPAC_NAME [IUPAC] synonym: "3,4,5-trimethoxybenzeneethanamine" RELATED [NIST_Chemistry_WebBook] synonym: "3,4,5-trimethoxyphenethylamine" RELATED [NIST_Chemistry_WebBook] synonym: "3,4,5-trimethoxyphenylethylamine" RELATED [ChemIDplus] synonym: "Mescalin" RELATED [ChemIDplus] synonym: "mescalina" RELATED [ChEBI] synonym: "Mescaline" EXACT [KEGG_COMPOUND] synonym: "Meskalin" RELATED [ChEBI] synonym: "mezcalina" RELATED [ChEBI] synonym: "TMPEA" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1374088 {source="ChemIDplus"} xref: CAS:54-04-6 {source="ChemIDplus"} xref: CAS:54-04-6 {source="NIST Chemistry WebBook"} xref: CAS:54-04-6 {source="KEGG COMPOUND"} xref: KEGG:C06546 xref: KNApSAcK:C00001419 xref: PMID:14516493 {source="Europe PMC"} xref: PMID:20890669 {source="Europe PMC"} xref: PMID:22251567 {source="Europe PMC"} xref: PMID:22900815 {source="Europe PMC"} xref: PMID:25036425 {source="Europe PMC"} xref: Reaxys:1374088 {source="Reaxys"} xref: Wikipedia:Mescaline is_a: CHEBI:22315 ! alkaloid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H17NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H17NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4-5,12H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RHCSKNNOAZULRK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "211.25760" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "211.12084" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cc(CCN)cc(OC)c1OC" xsd:string [Term] id: CHEBI:28384 name: vitamin K namespace: chebi_ontology alt_id: CHEBI:10009 alt_id: CHEBI:27301 alt_id: CHEBI:27307 def: "Any member of a group of fat-soluble 2-methyl-1,4-napthoquinones that exhibit biological activity against vitamin K deficiency. Vitamin K is required for the synthesis of prothrombin and certain other blood coagulation factors." [] subset: 3_STAR synonym: "Vitamin K" EXACT [KEGG_COMPOUND] synonym: "vitamin K vitamer" RELATED [ChEBI] synonym: "vitamin K vitamers" RELATED [ChEBI] synonym: "vitamine K" RELATED [ChEBI] synonym: "vitamins K" RELATED [ChEBI] xref: CAS:12001-79-5 {source="ChemIDplus"} xref: CAS:12001-79-5 {source="KEGG COMPOUND"} xref: KEGG:C01628 xref: MetaCyc:CPD-11501 xref: PMID:26413183 {source="Europe PMC"} xref: PMID:33255760 {source="Europe PMC"} xref: PMID:34109217 {source="Europe PMC"} xref: Wikipedia:Vitamin_K is_a: CDNO:0000014 ! vitamin (molecular entity) [Term] id: CHEBI:28412 name: eriodictyol namespace: chebi_ontology alt_id: CHEBI:23945 alt_id: CHEBI:4832 alt_id: CHEBI:49606 def: "A tetrahydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 7, 3' and 4' respectively." [] subset: 3_STAR synonym: "(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4-benzopyrone" RELATED [ChemIDplus] synonym: "(S)-eriodictyol" RELATED [UniProt] synonym: "Eriodictiol" RELATED [ChemIDplus] synonym: "Eriodictyol" EXACT [KEGG_COMPOUND] xref: Beilstein:92358 {source="Beilstein"} xref: CAS:552-58-9 {source="ChemIDplus"} xref: CAS:552-58-9 {source="KEGG COMPOUND"} xref: KEGG:C05631 xref: KNApSAcK:C00000960 xref: LIPID_MAPS_instance:LMPK12140002 {source="LIPID MAPS"} xref: LIPID_MAPS_instance:LMPK12140432 {source="LIPID MAPS"} is_a: CHEBI:5070 ! flavanone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H12O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SBHXYTNGIZCORC-ZDUSSCGKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "288.25220" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "288.06339" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccc(O)c(O)c1" xsd:string [Term] id: CHEBI:28425 name: alpha-carotene name: α-carotene namespace: chebi_ontology alt_id: CHEBI:10215 alt_id: CHEBI:22447 def: "A cyclic carotene with a beta- and an epsilon-ring at opposite ends respectively." [] subset: 3_STAR synonym: "all-trans-alpha-carotene" RELATED [ChemIDplus] synonym: "alpha-Carotene" EXACT [KEGG_COMPOUND] synonym: "alpha-carotene" EXACT [] synonym: "alpha-carotene" EXACT [UniProt] synonym: "beta,epsilon-carotene" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:2067408 {source="Beilstein"} xref: Beilstein:3227599 {source="Beilstein"} xref: CAS:432-70-2 {source="ChemIDplus"} xref: HMDB:HMDB0003993 xref: KEGG:C05433 xref: KNApSAcK:C00003765 xref: LIPID_MAPS_instance:LMPR01070258 {source="LIPID MAPS"} xref: PMID:23620017 {source="Europe PMC"} xref: PMID:24169341 {source="Europe PMC"} xref: PMID:9408998 {source="Europe PMC"} xref: Reaxys:2682045 {source="Reaxys"} is_a: CHEBI:23044 ! carotenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C40H56" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ANVAOWXLWRTKGA-JLTXGRSLSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "536.87264" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "536.43820" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(\\C=C\\C=C(C)\\C=C\\C1C(C)=CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C" xsd:string [Term] id: CHEBI:28427 name: arabinoxylan namespace: chebi_ontology alt_id: CHEBI:22602 alt_id: CHEBI:2797 def: "A member of the class of arabinoxylans that consists of a polymer chain of beta-(1->4)-linked D-xylopyranose units, many of which are 2- or 3-substituted, or 2,3-disubstituted by alpha-L-arabinofuranosyl residues." [] subset: 3_STAR synonym: "Arabinoxylan" EXACT [KEGG_COMPOUND] xref: CAS:9040-27-1 {source="KEGG COMPOUND"} xref: KEGG:C01889 xref: PMID:16659029 {source="Europe PMC"} xref: PMID:21535740 {source="Europe PMC"} xref: PMID:21615152 {source="Europe PMC"} is_a: CHEBI:61266 ! hemicellulose property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "(C10H16O8)n.(C5H8O4)n.(C10H16O8)n.(C15H24O12)n.(C40H64O32)ran" xsd:string [Term] id: CHEBI:28499 name: kaempferol namespace: chebi_ontology alt_id: CHEBI:24944 alt_id: CHEBI:43598 alt_id: CHEBI:6100 def: "A tetrahydroxyflavone in which the four hydroxy groups are located at positions 3, 5, 7 and 4'. Acting as an antioxidant by reducing oxidative stress, it is currently under consideration as a possible cancer treatment." [] subset: 3_STAR synonym: "3,4',5,7-Tetrahydroxyflavone" RELATED [KEGG_COMPOUND] synonym: "3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol" RELATED [KEGG_COMPOUND] synonym: "5,7,4'-trihydroxyflavonol" RELATED [ChemIDplus] synonym: "C.I. 75640" RELATED [KEGG_COMPOUND] synonym: "campherol" RELATED [ChemIDplus] synonym: "Indigo yellow" RELATED [KEGG_COMPOUND] synonym: "Kaempferol" EXACT [KEGG_COMPOUND] synonym: "Kaempferol" EXACT [ChEBI] synonym: "Kaempherol" RELATED [KEGG_COMPOUND] synonym: "Kampherol" RELATED [HMDB] synonym: "Kempferol" RELATED [KEGG_COMPOUND] synonym: "Nimbecetin" RELATED [KEGG_COMPOUND] synonym: "Pelargidenolon" RELATED [KEGG_COMPOUND] synonym: "Populnetin" RELATED [KEGG_COMPOUND] synonym: "Rhamnolutein" RELATED [KEGG_COMPOUND] synonym: "Rhamnolutin" RELATED [KEGG_COMPOUND] synonym: "Robigenin" RELATED [KEGG_COMPOUND] synonym: "Swartziol" RELATED [KEGG_COMPOUND] synonym: "Trifolitin" RELATED [KEGG_COMPOUND] xref: Beilstein:304401 {source="Beilstein"} xref: CAS:520-18-3 {source="ChemIDplus"} xref: CAS:520-18-3 {source="KEGG COMPOUND"} xref: DrugBank:DB01852 xref: HMDB:HMDB0005801 xref: KEGG:C05903 xref: KNApSAcK:C00004565 xref: LINCS:LSM-5304 xref: LIPID_MAPS_instance:LMPK12110003 {source="LIPID MAPS"} xref: MetaCyc:CPD1F-90 xref: PDBeChem:KMP xref: PMID:12592675 {source="Europe PMC"} xref: PMID:15234754 {source="Europe PMC"} xref: PMID:17426744 {source="Europe PMC"} xref: PMID:17551714 {source="Europe PMC"} xref: PMID:28166217 {source="Europe PMC"} xref: Reaxys:304401 {source="Reaxys"} xref: Wikipedia:kaempferol is_a: CHEBI:47916 ! flavonoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H10O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IYRMWMYZSQPJKC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "286.23630" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "286.04774" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O" xsd:string [Term] id: CHEBI:28586 name: verbascose namespace: chebi_ontology alt_id: CHEBI:10371 alt_id: CHEBI:22764 def: "A pentasaccharide that is stachiose which has an additional unit of alpha-D-galactopyranose attached by a 1->6 glycosidic linkage to the terminal galactosyl residue." [] subset: 3_STAR synonym: "beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside" RELATED [KEGG_COMPOUND] synonym: "beta-D-Galp-(1->6)-beta-D-Galp-(1->6)-beta-D-Galp-(1->6)-alpha-D-Glcp-(1<->2)-beta-D-Fruf" RELATED [ChEBI] synonym: "D-verbascose" RELATED [ChemIDplus] xref: CAS:546-62-3 {source="ChemIDplus"} xref: CAS:546-62-3 {source="KEGG COMPOUND"} xref: KEGG:C08252 xref: KEGG:G00564 xref: KNApSAcK:C00001154 xref: MetaCyc:CPD-8065 xref: PMID:11675396 {source="Europe PMC"} xref: PMID:22608234 {source="Europe PMC"} xref: Reaxys:77323 {source="Reaxys"} is_a: CHEBI:74961 ! raffinose family oligosaccharide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C30H52O26" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C30H52O26/c31-1-7-12(34)17(39)21(43)26(51-7)48-3-9-13(35)18(40)22(44)27(52-9)49-4-10-14(36)19(41)23(45)28(53-10)50-5-11-15(37)20(42)24(46)29(54-11)56-30(6-33)25(47)16(38)8(2-32)55-30/h7-29,31-47H,1-6H2/t7-,8-,9-,10-,11-,12+,13+,14+,15-,16-,17+,18+,19+,20+,21-,22-,23-,24-,25+,26+,27+,28+,29-,30+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FLUADVWHMHPUCG-SWPIJASHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "828.71830" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "828.27468" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@H](OC[C@H]2O[C@H](OC[C@H]3O[C@H](OC[C@H]4O[C@H](O[C@]5(CO)O[C@H](CO)[C@@H](O)[C@@H]5O)[C@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:28604 name: isofucosterol namespace: chebi_ontology alt_id: CHEBI:10541 alt_id: CHEBI:24895 alt_id: CHEBI:6016 def: "A 3beta-sterol consisting of stigmastan-3beta-ol with double bonds at positions 5 and 24(28). The double bond at postion 24(28) adopts a Z-configuration." [] subset: 3_STAR synonym: "(24Z)-24-ethylcholesta-5,24(28)-dien-3beta-ol" RELATED [ChemIDplus] synonym: "(24Z)-ethylidenecholesterol" RELATED [ChemIDplus] synonym: "(24Z)-stigmasta-5,24(28)-dien-3beta-ol" EXACT IUPAC_NAME [IUPAC] synonym: "(3beta)-stigmasta-5,24(28)-dien-3-ol" RELATED [ChemIDplus] synonym: "(3beta,24Z)-stigmasta-5,24(28)-dien-3-ol" RELATED [ChemIDplus] synonym: "(Z)-24-ethylcholesta-5,24(28)-dien-3beta-ol" RELATED [ChemIDplus] synonym: "(Z)-24-ethylidenecholesterol" RELATED [HMDB] synonym: "(Z)-stigmasta-5,24(28)-dien-3beta-ol" RELATED [ChemIDplus] synonym: "24Z-ethylidene-cholest-5-en-3beta-ol" RELATED [LIPID_MAPS] synonym: "28-isofucosterol" RELATED [ChemIDplus] synonym: "Delta(5)-avenasterol" RELATED [KEGG_COMPOUND] synonym: "delta5-avenasterol" RELATED [KEGG_COMPOUND] synonym: "delta5-avenasterol" RELATED [] synonym: "isofucosterol" EXACT [LIPID_MAPS] xref: CAS:18472-36-1 {source="ChemIDplus"} xref: CAS:481-14-1 {source="ChemIDplus"} xref: CAS:481-14-1 {source="NIST Chemistry WebBook"} xref: FooDB:FDB012493 xref: HMDB:HMDB0002374 xref: KEGG:C08821 xref: KNApSAcK:C00003656 xref: LIPID_MAPS_instance:LMST01040145 {source="LIPID MAPS"} xref: MetaCyc:CPD-4127 xref: PMID:1186438 {source="Europe PMC"} xref: PMID:16481154 {source="Europe PMC"} xref: PMID:17123816 {source="Europe PMC"} xref: PMID:24684169 {source="Europe PMC"} xref: PMID:2775538 {source="Europe PMC"} xref: PMID:5343809 {source="Europe PMC"} xref: PMID:7595097 {source="Europe PMC"} xref: Wikipedia:Isofucosterol is_a: CHEBI:166888 ! avenasterol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C29H48O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7-/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OSELKOCHBMDKEJ-WGMIZEQOSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "412.702" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "412.37052" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC\\C(=C\\C)C(C)C" xsd:string [Term] id: CHEBI:28623 name: campesterol namespace: chebi_ontology alt_id: CHEBI:22994 alt_id: CHEBI:3342 subset: 3_STAR synonym: "(24R)ergost-5-en-3beta-ol" RELATED [IUPAC] synonym: "campest-5-en-3beta-ol" EXACT IUPAC_NAME [IUPAC] synonym: "Campesterol" EXACT [KEGG_COMPOUND] synonym: "campesterol" EXACT [UniProt] xref: CAS:474-62-4 {source="KEGG COMPOUND"} xref: KEGG:C01789 xref: KNApSAcK:C00003647 xref: LIPID_MAPS_instance:LMST01030097 {source="LIPID MAPS"} is_a: CHEBI:26125 ! phytosterol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C28H48O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24-,25+,26+,27+,28-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SGNBVLSWZMBQTH-PODYLUTMSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "400.68012" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "400.37052" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](C)C(C)C" xsd:string [Term] id: CHEBI:28661 name: gamma-linolenic acid name: γ-linolenic acid namespace: chebi_ontology alt_id: CHEBI:10573 alt_id: CHEBI:24197 def: "A C18, omega-6 acid fatty acid comprising a linolenic acid having cis- double bonds at positions 6, 9 and 12." [] subset: 3_STAR synonym: "(6,9,12)-linolenic acid" RELATED [CBN] synonym: "(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(6Z,9Z,12Z)-Octadecatrienoic acid" RELATED [KEGG_COMPOUND] synonym: "(Z,Z,Z)-6,9,12-octadecatrienoic acid" RELATED [ChemIDplus] synonym: "18:3 (n-6)" RELATED [ChEBI] synonym: "6,9,12-Octadecatrienoic acid" RELATED [KEGG_COMPOUND] synonym: "6-cis,9-cis,12-cis-octadecatrienoic acid" RELATED [ChEBI] synonym: "all-cis-6,9,12-octadecatrienoic acid" RELATED [ChEBI] synonym: "C18:3 (n-6)" RELATED [ChEBI] synonym: "C18:3, n-6,9,12 all-cis" RELATED [ChEBI] synonym: "cis-Delta(6,9,12)-octadecatrienoic acid" RELATED [ChEBI] synonym: "gamma-Linolenic acid" EXACT [KEGG_COMPOUND] synonym: "gamma-linolenic acid" EXACT [] synonym: "gamma-Linolensaeure" RELATED [ChEBI] synonym: "gamoleic acid" RELATED [ChEBI] synonym: "Gamolenic acid" RELATED [KEGG_COMPOUND] synonym: "gamolenic acid" RELATED [ChemIDplus] synonym: "GLA" RELATED [ChEBI] synonym: "Octadeca-6,9,12-triensaeure" RELATED [ChEBI] xref: Beilstein:1712253 {source="Beilstein"} xref: CAS:506-26-3 {source="NIST Chemistry WebBook"} xref: CAS:506-26-3 {source="KEGG COMPOUND"} xref: Drug_Central:1276 {source="DrugCentral"} xref: HMDB:HMDB0003073 xref: KEGG:C06426 xref: KEGG:D07213 xref: KNApSAcK:C00001226 xref: LIPID_MAPS_instance:LMFA01030141 {source="LIPID MAPS"} xref: MetaCyc:CPD-8117 xref: PMID:11385052 {source="Europe PMC"} xref: PMID:24435467 {source="Europe PMC"} xref: PMID:9732298 {source="Europe PMC"} xref: Reaxys:1712253 {source="Reaxys"} xref: Wikipedia:Gamma-Linolenic_acid is_a: CHEBI:36009 ! ω−6 fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H30O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VZCCETWTMQHEPK-QNEBEIHSSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "278.42960" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "278.22458" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCC\\C=C/C\\C=C/C\\C=C/CCCCC(O)=O" xsd:string [Term] id: CHEBI:28705 name: narirutin namespace: chebi_ontology alt_id: CHEBI:25489 alt_id: CHEBI:7486 def: "A disaccharide derivative that is (S)-naringenin substituted by a 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage." [] subset: 3_STAR synonym: "(2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "Isonaringenin" RELATED [ChemIDplus] synonym: "Isonaringin" RELATED [ChemIDplus] synonym: "Naringenin 7-O-rutinoside" RELATED [KEGG_COMPOUND] synonym: "Narirutin" EXACT [KEGG_COMPOUND] xref: Beilstein:1361182 {source="Beilstein"} xref: CAS:14259-46-2 {source="ChemIDplus"} xref: CAS:14259-46-2 {source="KEGG COMPOUND"} xref: HMDB:HMDB0033740 xref: KEGG:C09793 xref: KNApSAcK:C00000984 xref: LIPID_MAPS_instance:LMPK12140236 {source="LIPID MAPS"} xref: MetaCyc:CPD-7059 xref: PMID:20100535 {source="Europe PMC"} xref: PMID:22813871 {source="Europe PMC"} xref: PMID:22903244 {source="Europe PMC"} xref: PMID:23301602 {source="Europe PMC"} xref: Reaxys:1361182 {source="Reaxys"} is_a: CHEBI:5070 ! flavanone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H32O14" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C27H32O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-7,10,16,18,20-29,31-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HXTFHSYLYXVTHC-AJHDJQPGSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "580.53458" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "580.17921" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4C(=O)C[C@H](Oc4c3)c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:28709 name: eriocitrin namespace: chebi_ontology alt_id: CHEBI:23944 alt_id: CHEBI:4831 def: "A disaccharide derivative that consists of eriodictyol substituted by a 6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage." [] subset: 3_STAR synonym: "(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "Eriocitrin" EXACT [KEGG_COMPOUND] synonym: "Eriodictioside" RELATED [ChemIDplus] synonym: "Eriodictyol 7-O-rutinoside" RELATED [KEGG_COMPOUND] xref: AGR:IND43874123 {source="Europe PMC"} xref: Beilstein:1304401 {source="Beilstein"} xref: CAS:13463-28-0 {source="ChemIDplus"} xref: CAS:13463-28-0 {source="KEGG COMPOUND"} xref: KEGG:C09732 xref: KNApSAcK:C00008295 xref: LIPID_MAPS_instance:LMPK12140366 {source="LIPID MAPS"} xref: PMID:12551749 {source="Europe PMC"} xref: PMID:15315375 {source="Europe PMC"} xref: PMID:17690486 {source="Europe PMC"} xref: PMID:9688172 {source="Europe PMC"} xref: Reaxys:7846058 {source="Reaxys"} is_a: CHEBI:5070 ! flavanone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H32O15" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C27H32O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-6,9,16,18,20-30,32-37H,7-8H2,1H3/t9-,16-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OMQADRGFMLGFJF-MNPJBKLOSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "596.53398" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "596.17412" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4C(=O)C[C@H](Oc4c3)c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:28716 name: palmitoleic acid namespace: chebi_ontology alt_id: CHEBI:25836 alt_id: CHEBI:44696 alt_id: CHEBI:7897 def: "A hexadec-9-enoic acid in which the double bond at position C-9 has cis configuration." [] subset: 3_STAR synonym: "(9Z)-hexadec-9-enoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(9Z)-Hexadecenoic acid" RELATED [KEGG_COMPOUND] synonym: "(Z)-9-hexadecenoic acid" RELATED [ChEBI] synonym: "(Z)-hexadec-9-enoic acid" RELATED [ChemIDplus] synonym: "16:1Delta9" RELATED [ChEBI] synonym: "9-cis-hexadecenoic acid" RELATED [ChEBI] synonym: "cis-9-Hexadecenoic acid" RELATED [KEGG_COMPOUND] synonym: "cis-9-Palmitoleic acid" RELATED [HMDB] synonym: "cis-Delta(9)-hexadecenoic acid" RELATED [ChEBI] synonym: "cis-delta-9-Hexadecenoic acid" RELATED [HMDB] synonym: "cis-Palmitoleic acid" RELATED [HMDB] synonym: "Oleopalmitic acid" RELATED [HMDB] synonym: "PALMITOLEIC ACID" EXACT [PDBeChem] synonym: "Palmitoleic acid" EXACT [KEGG_COMPOUND] synonym: "palmitolinoleic acid" RELATED [NIST_Chemistry_WebBook] synonym: "zoomaric acid" RELATED [EuroFIR] synonym: "Zoomeric acid" RELATED [HMDB] xref: Beilstein:1725389 {source="Beilstein"} xref: CAS:373-49-9 {source="KEGG COMPOUND"} xref: CAS:373-49-9 {source="NIST Chemistry WebBook"} xref: CAS:373-49-9 {source="ChemIDplus"} xref: DrugBank:DB04257 xref: HMDB:HMDB0003229 xref: KEGG:C08362 xref: KNApSAcK:C00001234 xref: KNApSAcK:C00029354 xref: LIPID_MAPS_instance:LMFA01030056 {source="LIPID MAPS"} xref: PDBeChem:PAM xref: PMID:19761868 {source="Europe PMC"} xref: PMID:24362891 {source="Europe PMC"} xref: Reaxys:1725389 {source="Reaxys"} is_a: CHEBI:25413 ! monounsaturated fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H30O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SECPZKHBENQXJG-FPLPWBNLSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "254.409" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "254.22458" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(CCCCCCC/C=C\\CCCCCC)(=O)O" xsd:string [Term] id: CHEBI:28741 name: sodium fluoride namespace: chebi_ontology alt_id: CHEBI:26713 alt_id: CHEBI:9178 def: "A metal fluoride salt with a Na(+) counterion." [] subset: 3_STAR synonym: "NaF" RELATED [IUPAC] synonym: "Sodium fluoride" EXACT [KEGG_COMPOUND] synonym: "sodium fluoride" EXACT IUPAC_NAME [IUPAC] xref: CAS:7681-49-4 {source="KEGG COMPOUND"} xref: CAS:7681-49-4 {source="ChemIDplus"} xref: KEGG:C08142 xref: KEGG:D00943 xref: Wikipedia:Sodium_Fluoride is_a: CHEBI:38702 ! inorganic sodium salt property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "FNa" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Na.F" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/FH.Na/h1H;/q;+1/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PUZPDOWCWNUUKD-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "41.98817" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "41.98817" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[F-].[Na+]" xsd:string [Term] id: CHEBI:28757 name: fructose namespace: chebi_ontology alt_id: CHEBI:24104 alt_id: CHEBI:24110 alt_id: CHEBI:5172 def: "A ketohexose that is an isomer of glucose." [] subset: 3_STAR synonym: "arabino-hex-2-ulose" EXACT IUPAC_NAME [IUPAC] synonym: "arabino-Hexulose" RELATED [KEGG_COMPOUND] synonym: "Fru" RELATED [JCBN] synonym: "Fruchtzucker" RELATED [ChEBI] synonym: "Fructose" EXACT [KEGG_COMPOUND] synonym: "fructose" EXACT IUPAC_NAME [IUPAC] synonym: "Fruktose" RELATED [ChEBI] xref: CAS:30237-26-4 {source="ChemIDplus"} xref: DrugBank:DB04173 xref: KEGG:C01496 xref: Wikipedia:Fructose is_a: CDNO:0000004 ! free sugar is_a: CHEBI:35381 ! monosaccharide [Term] id: CHEBI:28775 name: hesperidin namespace: chebi_ontology alt_id: CHEBI:24530 alt_id: CHEBI:5682 def: "A disaccharide derivative that consists of hesperetin substituted by a 6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage." [] subset: 3_STAR synonym: "(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "(2S)-hesperidin" RELATED [UniProt] synonym: "(S)-(-)-hesperidin" RELATED [ChemIDplus] synonym: "Cirantin" RELATED [ChemIDplus] synonym: "Ciratin" RELATED [KEGG_COMPOUND] synonym: "Hesperetin 7-O-rutinoside" RELATED [KEGG_COMPOUND] synonym: "Hesperidin" EXACT [KEGG_COMPOUND] synonym: "Hesperidoside" RELATED [ChemIDplus] xref: Beilstein:75140 {source="Beilstein"} xref: CAS:520-26-3 {source="KEGG COMPOUND"} xref: CAS:520-26-3 {source="ChemIDplus"} xref: DrugBank:DB04703 xref: HMDB:HMDB0003265 xref: KEGG:C09755 xref: KEGG:D01038 xref: KNApSAcK:C00000970 xref: LINCS:LSM-2858 xref: MetaCyc:CPD-7075 xref: Reaxys:75140 {source="Reaxys"} xref: Wikipedia:Hesperidin is_a: CHEBI:5070 ! flavanone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C28H34O15" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QUQPHWDTPGMPEX-QJBIFVCTSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "610.56056" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "610.18977" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2O1" xsd:string [Term] id: CHEBI:28792 name: erucic acid namespace: chebi_ontology alt_id: CHEBI:23275 alt_id: CHEBI:4836 def: "A docosenoic acid having a cis- double bond at C-13. It is found particularly in brassicas - it is a major component of mustard and rapeseed oils and is produced by broccoli, Brussels sprouts, kale, and wallflowers." [] subset: 3_STAR synonym: "(13Z)-13-docosenoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(13Z)-docos-13-enoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(13Z)-Docosenoic acid" RELATED [KEGG_COMPOUND] synonym: "(Z)-13-docosenoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(Z)-docos-13-enoic acid" RELATED [ChemIDplus] synonym: "13-cis-docosenoic acid" RELATED [ChemIDplus] synonym: "22:1omega9" RELATED [ChEBI] synonym: "C22:1n-9" RELATED [LIPID_MAPS] synonym: "cis-13-Docosenoic acid" RELATED [KEGG_COMPOUND] synonym: "cis-Delta(13)-docosenoic acid" RELATED [ChEBI] synonym: "cis-eruic acid" RELATED [LIPID_MAPS] synonym: "docos-13c-enoic acid" RELATED [ChEBI] synonym: "Erucasaeure" RELATED [ChEBI] synonym: "Erucic acid" EXACT [KEGG_COMPOUND] xref: Beilstein:1728049 {source="Beilstein"} xref: CAS:112-86-7 {source="ChemIDplus"} xref: CAS:112-86-7 {source="NIST Chemistry WebBook"} xref: CAS:112-86-7 {source="KEGG COMPOUND"} xref: Gmelin:177365 {source="Gmelin"} xref: HMDB:HMDB0002068 xref: KEGG:C08316 xref: KNApSAcK:C00001217 xref: LIPID_MAPS_instance:LMFA01030089 {source="LIPID MAPS"} xref: MetaCyc:CPD-14292 xref: PMID:1170010 {source="Europe PMC"} xref: PMID:7847331 {source="Europe PMC"} xref: Reaxys:1728049 {source="Reaxys"} xref: Wikipedia:Erucic_acid is_a: CHEBI:25413 ! monounsaturated fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H42O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DPUOLQHDNGRHBS-KTKRTIGZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "338.56770" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "338.31848" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCC\\C=C/CCCCCCCCCCCC(O)=O" xsd:string [Term] id: CHEBI:28796 name: fructan namespace: chebi_ontology alt_id: CHEBI:24101 alt_id: CHEBI:6434 def: "Polysaccharides composed of fructose residues." [] subset: 3_STAR synonym: "(2,6-beta-D-Fructosyl)n" RELATED [KEGG_COMPOUND] synonym: "(2,6-beta-D-Fructosyl)n+1" RELATED [KEGG_COMPOUND] synonym: "2,6-beta-D-Fructan" RELATED [KEGG_COMPOUND] synonym: "beta-D-Fructan" RELATED [KEGG_COMPOUND] synonym: "Fructan" EXACT [KEGG_COMPOUND] synonym: "fructan" EXACT IUPAC_NAME [IUPAC] synonym: "fructans" RELATED [ChEBI] synonym: "Levan" RELATED [KEGG_COMPOUND] synonym: "Levan n" RELATED [KEGG_COMPOUND] synonym: "polyfructose" RELATED [ChemIDplus] xref: CAS:9013-95-0 {source="KEGG COMPOUND"} xref: CAS:9013-95-0 {source="ChemIDplus"} xref: KEGG:C01355 xref: KEGG:C06215 xref: KEGG:G10499 xref: KEGG:G10535 is_a: CDNO:0000008 ! insoluble dietary fibre is_a: CHEBI:18154 ! polysaccharide property_value: http://purl.obolibrary.org/obo/chebi/formula "(C6H10O5)n" xsd:string [Term] id: CHEBI:28808 name: mannan namespace: chebi_ontology alt_id: CHEBI:25159 alt_id: CHEBI:6684 subset: 3_STAR synonym: "Mannan" EXACT [KEGG_COMPOUND] synonym: "mannan" EXACT IUPAC_NAME [IUPAC] synonym: "mannans" RELATED [ChEBI] synonym: "Mannoglycan" RELATED [KEGG_COMPOUND] xref: CAS:52002-03-6 {source="KEGG COMPOUND"} xref: KEGG:C00464 xref: KEGG:G10542 xref: Wikipedia:Mannan is_a: CHEBI:61266 ! hemicellulose [Term] id: CHEBI:28819 name: naringin namespace: chebi_ontology alt_id: CHEBI:25486 alt_id: CHEBI:545774 alt_id: CHEBI:566122 alt_id: CHEBI:7485 def: "A disaccharide derivative that is (S)-naringenin substituted by a 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage." [] subset: 3_STAR synonym: "(2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "Naringenin 7-O-[alpha-L-rhamnosyl-(1->2)-beta-D-glucoside]" RELATED [KEGG_COMPOUND] synonym: "Naringenin 7-O-alpha-L-rhamnosyl-(1->2)-beta-D-glucoside" RELATED [ChEBI] synonym: "Naringenin 7-O-neohesperidoside" RELATED [KEGG_COMPOUND] synonym: "Naringin" EXACT [KEGG_COMPOUND] synonym: "Naringoside" RELATED [ChemIDplus] xref: Beilstein:102012 {source="Beilstein"} xref: CAS:10236-47-2 {source="KEGG COMPOUND"} xref: CAS:10236-47-2 {source="ChemIDplus"} xref: HMDB:HMDB0002927 xref: KEGG:C09789 xref: KNApSAcK:C00000983 xref: LINCS:LSM-2038 xref: MetaCyc:NARINGIN xref: PMID:21636685 {source="Europe PMC"} xref: PMID:22847135 {source="Europe PMC"} xref: PMID:22965302 {source="Europe PMC"} xref: PMID:22985397 {source="Europe PMC"} xref: PMID:23111634 {source="Europe PMC"} xref: Reaxys:102012 {source="Reaxys"} xref: Wikipedia:Naringin is_a: CHEBI:5070 ! flavanone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H32O14" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DFPMSGMNTNDNHN-ZPHOTFPESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "580.53460" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "580.17921" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:28822 name: icosanoic acid namespace: chebi_ontology alt_id: CHEBI:24763 alt_id: CHEBI:2798 def: "A C20 striaght-chain saturated fatty acid which forms a minor constituent of peanut (L. arachis) and corn oils. Used as an organic thin film in the production of liquid crystals for a wide variety of technical applications." [] subset: 3_STAR synonym: "arachic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Arachidic acid" RELATED [KEGG_COMPOUND] synonym: "arachidic acid" RELATED [] synonym: "arachidic acid" RELATED [NIST_Chemistry_WebBook] synonym: "arachidinic acid" RELATED [ChEBI] synonym: "Arachinsaeure" RELATED [ChEBI] synonym: "C20:0" RELATED [ChEBI] synonym: "CH3-[CH2]18-COOH" RELATED [IUPAC] synonym: "eicosanoic acid" RELATED [KEGG_COMPOUND] synonym: "icosanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "icosanoic acid" EXACT [KEGG_COMPOUND] synonym: "n-eicosanoic acid" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1788211 {source="Beilstein"} xref: CAS:506-30-9 {source="NIST Chemistry WebBook"} xref: CAS:506-30-9 {source="KEGG COMPOUND"} xref: CAS:506-30-9 {source="ChemIDplus"} xref: Gmelin:854866 {source="Gmelin"} xref: HMDB:HMDB0002212 xref: KEGG:C06425 xref: KNApSAcK:C00001209 xref: LIPID_MAPS_instance:LMFA01010020 {source="LIPID MAPS"} xref: MetaCyc:ARACHIDIC_ACID xref: Patent:CN102352348 xref: Patent:WO2013000382 xref: PDBeChem:DCR xref: PMID:17279692 {source="Europe PMC"} xref: PMID:18036601 {source="Europe PMC"} xref: PMID:19908738 {source="Europe PMC"} xref: Reaxys:1788211 {source="Reaxys"} xref: Wikipedia:Arachidic_acid is_a: CHEBI:26607 ! saturated fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H40O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VKOBVWXKNCXXDE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "312.53040" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "312.30283" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCCCCCCCCCCCCC(O)=O" xsd:string [Term] id: CHEBI:28824 name: stigmasterol namespace: chebi_ontology alt_id: CHEBI:26774 alt_id: CHEBI:8195 def: "A 3beta-sterol that consists of 3beta-hydroxystigmastane having double bonds at the 5,6- and 22,23-positions." [] subset: 3_STAR synonym: "(22E)-stigmasta-5,22-dien-3beta-ol" EXACT IUPAC_NAME [IUPAC] synonym: "(3beta,22E)-stigmasta-5,22-dien-3-ol" RELATED [HMDB] synonym: "5,22-Cholestadien-24-ethyl-3beta-ol" RELATED [NIST_Chemistry_WebBook] synonym: "beta-stigmasterol" RELATED [NIST_Chemistry_WebBook] synonym: "phytosterol" RELATED [NIST_Chemistry_WebBook] synonym: "poriferasterol" RELATED [HMDB] synonym: "stigmasta-5,22-dien-3beta-ol" RELATED [NIST_Chemistry_WebBook] synonym: "Stigmasterol" EXACT [KEGG_COMPOUND] synonym: "stigmasterol" EXACT [UniProt] xref: Beilstein:2568182 {source="Beilstein"} xref: CAS:83-48-7 {source="ChemIDplus"} xref: CAS:83-48-7 {source="NIST Chemistry WebBook"} xref: CAS:83-48-7 {source="KEGG COMPOUND"} xref: HMDB:HMDB0000937 xref: KEGG:C05442 xref: KNApSAcK:C00003674 xref: KNApSAcK:C00023774 xref: LIPID_MAPS_instance:LMST01040123 {source="LIPID MAPS"} xref: PMID:13318319 {source="Europe PMC"} xref: PMID:13547565 {source="Europe PMC"} xref: Reaxys:2568182 {source="Reaxys"} xref: Wikipedia:Stigmasterol is_a: CHEBI:26125 ! phytosterol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C29H48O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HCXVJBMSMIARIN-PHZDYDNGSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "412.69082" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "412.37052" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)\\C=C\\[C@@H](CC)C(C)C" xsd:string [Term] id: CHEBI:28837 name: octanoic acid namespace: chebi_ontology alt_id: CHEBI:25648 alt_id: CHEBI:3373 alt_id: CHEBI:44501 def: "A straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group. Octanoic acid is also known as caprylic acid." [] subset: 3_STAR synonym: "1-heptanecarboxylic acid" RELATED [ChemIDplus] synonym: "8:0" RELATED [ChEBI] synonym: "Acide octanoique" RELATED [ChemIDplus] synonym: "acide octanoique" RELATED INN [WHO_MedNet] synonym: "Acido octanoico" RELATED [ChemIDplus] synonym: "acido octanoico" RELATED INN [WHO_MedNet] synonym: "Acidum octanocium" RELATED [ChemIDplus] synonym: "acidum octanoicum" RELATED INN [WHO_MedNet] synonym: "C8:0" RELATED [ChEBI] synonym: "Caprylic acid" RELATED [KEGG_COMPOUND] synonym: "CH3-[CH2]6-COOH" RELATED [IUPAC] synonym: "Kaprylsaeure" RELATED [ChEBI] synonym: "n-caprylic acid" RELATED [ChemIDplus] synonym: "n-octanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "n-octoic acid" RELATED [ChemIDplus] synonym: "n-octylic acid" RELATED [ChemIDplus] synonym: "Octanoic acid" EXACT [KEGG_COMPOUND] synonym: "octanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "octanoic acid" RELATED INN [WHO_MedNet] synonym: "OCTANOIC ACID (CAPRYLIC ACID)" RELATED [PDBeChem] synonym: "Octansaeure" RELATED [ChEBI] synonym: "octoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Octylic acid" RELATED [KEGG_COMPOUND] xref: Beilstein:1747180 {source="Beilstein"} xref: CAS:124-07-2 {source="NIST Chemistry WebBook"} xref: CAS:124-07-2 {source="ChemIDplus"} xref: CAS:124-07-2 {source="KEGG COMPOUND"} xref: Drug_Central:3998 {source="DrugCentral"} xref: DrugBank:DB04519 xref: Gmelin:142966 {source="Gmelin"} xref: HMDB:HMDB0000482 xref: KEGG:C06423 xref: KEGG:D05220 xref: KNApSAcK:C00001231 xref: LIPID_MAPS_instance:LMFA01010008 {source="LIPID MAPS"} xref: MetaCyc:CPD-195 xref: PDBeChem:OCA xref: PMID:16162522 {source="Europe PMC"} xref: PMID:16872526 {source="Europe PMC"} xref: PMID:19096058 {source="Europe PMC"} xref: Reaxys:1747180 {source="Reaxys"} xref: Wikipedia:Caprylic_acid is_a: CHEBI:26607 ! saturated fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H16O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WWZKQHOCKIZLMA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "144.21140" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "144.11503" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCC(O)=O" xsd:string [Term] id: CHEBI:28838 name: lutein namespace: chebi_ontology alt_id: CHEBI:27324 alt_id: CHEBI:43817 alt_id: CHEBI:6576 subset: 3_STAR synonym: "(3R,3'R,6'R)-beta,epsilon-carotene-3,3'-diol" EXACT IUPAC_NAME [IUPAC] synonym: "(3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL" RELATED [PDBeChem] synonym: "Bo-Xan" RELATED [ChemIDplus] synonym: "E 161b" RELATED [ChEBI] synonym: "Lutein" EXACT [KEGG_COMPOUND] synonym: "lutein" EXACT [UniProt] synonym: "Xanthophyll" RELATED [KEGG_COMPOUND] xref: Beilstein:2068550 {source="Beilstein"} xref: CAS:127-40-2 {source="ChemIDplus"} xref: CAS:127-40-2 {source="KEGG COMPOUND"} xref: Drug_Central:4145 {source="DrugCentral"} xref: DrugBank:DB00137 xref: HMDB:HMDB0003233 xref: KEGG:C08601 xref: KNApSAcK:C00003776 xref: LIPID_MAPS_instance:LMPR01070274 {source="LIPID MAPS"} xref: MetaCyc:CPD1F-119 xref: PDBeChem:LUT xref: PMID:10714278 {source="Europe PMC"} xref: PMID:14670087 {source="Europe PMC"} xref: PMID:23543147 {source="Europe PMC"} xref: PMID:24451312 {source="Europe PMC"} xref: Reaxys:2068550 {source="Reaxys"} xref: Wikipedia:Lutein is_a: CHEBI:27325 ! xanthophyll property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C40H56O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KBPHJBAIARWVSC-RGZFRNHPSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "568.87144" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "568.42803" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(\\C=C\\C=C(C)\\C=C\\[C@H]1C(C)=C[C@H](O)CC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C" xsd:string [Term] id: CHEBI:28842 name: octadecanoic acid namespace: chebi_ontology alt_id: CHEBI:25631 alt_id: CHEBI:45710 def: "A C18 straight-chain saturated fatty acid component of many animal and vegetable lipids. As well as in the diet, it is used in hardening soaps, softening plastics and in making cosmetics, candles and plastics." [] subset: 3_STAR synonym: "18:0" RELATED [ChEBI] synonym: "acide octadecanoique" RELATED [ChEBI] synonym: "acide stearique" RELATED [ChEBI] synonym: "C18:0" RELATED [ChemIDplus] synonym: "CH3-[CH2]16-COOH" RELATED [IUPAC] synonym: "n-octadecanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Octadecanoic acid" EXACT [KEGG_COMPOUND] synonym: "octadecanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Octadecansaeure" RELATED [ChemIDplus] synonym: "octadecoic acid" RELATED [ChEBI] synonym: "Oktadekansaeure" RELATED [ChEBI] synonym: "STEARIC ACID" RELATED [PDBeChem] synonym: "stearic acid" RELATED [ChEBI] synonym: "stearic acid" RELATED [] synonym: "Stearinsaeure" RELATED [ChemIDplus] xref: Beilstein:608585 {source="Beilstein"} xref: CAS:57-11-4 {source="ChemIDplus"} xref: CAS:57-11-4 {source="NIST Chemistry WebBook"} xref: Drug_Central:4611 {source="DrugCentral"} xref: DrugBank:DB03193 xref: Gmelin:11738 {source="Gmelin"} xref: HMDB:HMDB0000827 xref: KEGG:C01530 xref: KEGG:D00119 xref: KNApSAcK:C00001238 xref: LIPID_MAPS_instance:LMFA01010018 {source="LIPID MAPS"} xref: MetaCyc:STEARIC_ACID xref: PDBeChem:STE xref: PMID:11425337 {source="Europe PMC"} xref: PMID:16448636 {source="Europe PMC"} xref: PMID:17439666 {source="Europe PMC"} xref: PMID:18982377 {source="Europe PMC"} xref: PMID:19468063 {source="Europe PMC"} xref: PMID:19838949 {source="Europe PMC"} xref: PMID:22735334 {source="Europe PMC"} xref: PMID:26884207 {source="Europe PMC"} xref: PMID:7763343 {source="Europe PMC"} xref: Reaxys:608585 {source="Reaxys"} xref: Wikipedia:Stearic_acid is_a: CHEBI:26607 ! saturated fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H36O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QIQXTHQIDYTFRH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "284.478" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "284.27153" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(CCCCCCCCCC)CCCCCCC(=O)O" xsd:string [Term] id: CHEBI:28866 name: tetracosanoic acid namespace: chebi_ontology alt_id: CHEBI:25467 alt_id: CHEBI:26892 alt_id: CHEBI:6458 def: "A C24 straight-chain saturated fatty acid." [] subset: 3_STAR synonym: "CH3-[CH2]22-COOH" RELATED [IUPAC] synonym: "Lignoceric acid" RELATED [KEGG_COMPOUND] synonym: "lignoceric acid" RELATED [] synonym: "Lignozerinsaeure" RELATED [ChEBI] synonym: "n-tetracosanoic acid" RELATED [ChEBI] synonym: "tetracosanic acid" RELATED [ChEBI] synonym: "Tetracosanoic acid" EXACT [KEGG_COMPOUND] synonym: "tetracosanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Tetracosansaeure" RELATED [ChEBI] synonym: "tetracosoic acid" RELATED [ChEBI] synonym: "tetraeicosanoic acid" RELATED [ChEBI] synonym: "tetraicosanoic acid" RELATED [ChEBI] xref: Beilstein:1728237 {source="Beilstein"} xref: CAS:557-59-5 {source="ChemIDplus"} xref: CAS:557-59-5 {source="KEGG COMPOUND"} xref: CAS:557-59-5 {source="NIST Chemistry WebBook"} xref: Gmelin:107095 {source="Gmelin"} xref: HMDB:HMDB0002003 xref: KEGG:C08320 xref: KNApSAcK:C00001223 xref: LIPID_MAPS_instance:LMFA01010024 {source="LIPID MAPS"} xref: MetaCyc:TETRACOSANOATE xref: PMID:21781003 {source="Europe PMC"} xref: PMID:23019902 {source="Europe PMC"} xref: PMID:23157011 {source="Europe PMC"} xref: PMID:23394615 {source="Europe PMC"} xref: PMID:23871298 {source="Europe PMC"} xref: PMID:24491713 {source="Europe PMC"} xref: PMID:3174658 {source="Europe PMC"} xref: Reaxys:1728237 {source="Reaxys"} xref: Wikipedia:Lignoceric_acid is_a: CHEBI:26607 ! saturated fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C24H48O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QZZGJDVWLFXDLK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "368.63670" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "368.36543" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCCCCCCCCCCCCCCCCC(O)=O" xsd:string [Term] id: CHEBI:28869 name: menadione namespace: chebi_ontology alt_id: CHEBI:27304 alt_id: CHEBI:46306 alt_id: CHEBI:6747 def: "A member of the class of 1,4-naphthoquinones that is 1,4-naphthoquinone which is substituted at position 2 by a methyl group. It is used as a nutritional supplement and for the treatment of hypoprothrombinemia." [] subset: 3_STAR synonym: "2-methyl-1,4-naphthalenedione" RELATED [ChemIDplus] synonym: "2-Methyl-1,4-naphthochinon" RELATED [ChemIDplus] synonym: "2-methyl-1,4-naphthoquinone" RELATED [KEGG_COMPOUND] synonym: "2-methylnaphthalene-1,4-dione" EXACT IUPAC_NAME [IUPAC] synonym: "2-methylnaphthoquinone" RELATED [ChemIDplus] synonym: "3-methyl-1,4-naphthoquinone" RELATED [ChemIDplus] synonym: "Aquakay" RELATED BRAND_NAME [ChemIDplus] synonym: "Aquinone" RELATED BRAND_NAME [ChemIDplus] synonym: "Hemodal" RELATED BRAND_NAME [ChemIDplus] synonym: "Kappaxin" RELATED BRAND_NAME [KEGG_DRUG] synonym: "menadion" RELATED [ChemIDplus] synonym: "MENADIONE" EXACT [PDBeChem] synonym: "Menadione" EXACT [KEGG_COMPOUND] synonym: "menadione" EXACT [UniProt] synonym: "menaphthon" RELATED [ChemIDplus] synonym: "menaphthone" RELATED [ChemIDplus] synonym: "menaquinone" RELATED [ChemIDplus] synonym: "menaquinone 0" RELATED [ChemIDplus] synonym: "vitamin K3" RELATED [ChEBI] synonym: "vitamin K3" RELATED [ChemIDplus] xref: CAS:58-27-5 {source="NIST Chemistry WebBook"} xref: CAS:58-27-5 {source="ChemIDplus"} xref: CAS:58-27-5 {source="KEGG COMPOUND"} xref: Chemspider:3915 xref: Drug_Central:1683 {source="DrugCentral"} xref: DrugBank:DB00170 xref: FooDB:FDB000953 xref: HMDB:HMDB0001892 xref: KEGG:C05377 xref: KEGG:D02335 xref: LINCS:LSM-3755 xref: MetaCyc:CPD-3766 xref: PDBeChem:VK3 xref: PMID:10433694 {source="Europe PMC"} xref: PMID:11372776 {source="Europe PMC"} xref: PMID:12665684 {source="Europe PMC"} xref: PMID:12895502 {source="Europe PMC"} xref: PMID:13779073 {source="Europe PMC"} xref: PMID:15052609 {source="Europe PMC"} xref: PMID:15265851 {source="Europe PMC"} xref: PMID:15613473 {source="Europe PMC"} xref: PMID:15722567 {source="Europe PMC"} xref: PMID:16109308 {source="Europe PMC"} xref: PMID:16140270 {source="Europe PMC"} xref: PMID:16469140 {source="Europe PMC"} xref: PMID:1650428 {source="Europe PMC"} xref: PMID:1697141 {source="Europe PMC"} xref: PMID:1857739 {source="Europe PMC"} xref: PMID:18698499 {source="Europe PMC"} xref: PMID:19593550 {source="Europe PMC"} xref: PMID:19766112 {source="Europe PMC"} xref: PMID:2064595 {source="Europe PMC"} xref: PMID:2333843 {source="Europe PMC"} xref: PMID:28166217 {source="Europe PMC"} xref: PMID:30119016 {source="Europe PMC"} xref: PMID:30609653 {source="Europe PMC"} xref: PMID:3083821 {source="Europe PMC"} xref: PMID:31238027 {source="Europe PMC"} xref: PMID:31520616 {source="Europe PMC"} xref: PMID:31701430 {source="Europe PMC"} xref: PMID:32630491 {source="Europe PMC"} xref: PMID:32798378 {source="Europe PMC"} xref: PMID:33227312 {source="Europe PMC"} xref: PMID:33800926 {source="Europe PMC"} xref: PMID:33901557 {source="Europe PMC"} xref: PMID:33945810 {source="Europe PMC"} xref: PMID:34040527 {source="Europe PMC"} xref: PMID:8785182 {source="Europe PMC"} xref: PMID:9010592 {source="Europe PMC"} xref: PMID:9380028 {source="Europe PMC"} xref: Reaxys:1908453 {source="Reaxys"} xref: Wikipedia:Menadione is_a: CHEBI:28384 ! vitamin K property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H8O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MJVAVZPDRWSRRC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "172.183" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "172.05243" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1=CC(=O)C2=C(C=CC=C2)C1=O" xsd:string [Term] id: CHEBI:28874 name: phosphatidylinositol namespace: chebi_ontology alt_id: CHEBI:18877 alt_id: CHEBI:494 def: "Any glycerophosphoinositol having one phosphatidyl group esterified to one of the hydroxy groups of inositol." [] subset: 3_STAR synonym: "phosphatidylinositols" RELATED [ChEBI] synonym: "PI" RELATED [ChEBI] synonym: "PtdIns" RELATED [ChEBI] xref: DrugBank:DB02144 xref: PMID:15634688 {source="Europe PMC"} xref: PMID:15967713 {source="Europe PMC"} xref: PMID:17417879 {source="Europe PMC"} xref: PMID:18189424 {source="Europe PMC"} xref: PMID:19456874 {source="Europe PMC"} xref: PMID:23015060 {source="Europe PMC"} xref: PMID:23118092 {source="Europe PMC"} xref: Wikipedia:Phosphatidylinositol is_a: CHEBI:16247 ! phospholipid is_a: CHEBI:190516 ! organic phosphate compound [Term] id: CHEBI:28875 name: tetradecanoic acid namespace: chebi_ontology alt_id: CHEBI:26897 alt_id: CHEBI:278516 alt_id: CHEBI:44232 alt_id: CHEBI:7056 alt_id: CHEBI:73168 def: "A straight-chain, fourteen-carbon, long-chain saturated fatty acid mostly found in milk fat." [] subset: 3_STAR synonym: "1-tetradecanecarboxylic acid" RELATED [ChEBI] synonym: "14" RELATED [ChEBI] synonym: "14:0" RELATED [ChEBI] synonym: "14:00" RELATED [ChEBI] synonym: "acide tetradecanoique" RELATED [ChEBI] synonym: "C14" RELATED [ChEBI] synonym: "CH3-[CH2]12-COOH" RELATED [IUPAC] synonym: "MYRISTIC ACID" RELATED [PDBeChem] synonym: "Myristic acid" RELATED [KEGG_COMPOUND] synonym: "myristic acid" EXACT IUPAC_NAME [IUPAC] synonym: "myristic acid" RELATED [] synonym: "Myristinsaeure" RELATED [ChEBI] synonym: "n-Tetradecan-1-oic acid" RELATED [ChemIDplus] synonym: "n-tetradecanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "n-Tetradecoic acid" RELATED [ChemIDplus] synonym: "Tetradecanoic acid" EXACT [KEGG_COMPOUND] synonym: "tetradecoic acid" RELATED [ChEBI] xref: Beilstein:508624 {source="Beilstein"} xref: CAS:544-63-8 {source="ChemIDplus"} xref: CAS:544-63-8 {source="NIST Chemistry WebBook"} xref: CAS:544-63-8 {source="KEGG COMPOUND"} xref: DrugBank:DB08231 xref: Gmelin:242115 {source="Gmelin"} xref: HMDB:HMDB0000806 xref: KEGG:C06424 xref: KNApSAcK:C00001228 xref: LIPID_MAPS_instance:LMFA01010014 {source="LIPID MAPS"} xref: MetaCyc:CPD-7836 xref: PDBeChem:MYR xref: PMID:13129458 {source="Europe PMC"} xref: PMID:15149689 {source="ChEMBL"} xref: PMID:16509590 {source="ChEMBL"} xref: PMID:16554156 {source="ChEMBL"} xref: PMID:19154695 {source="Europe PMC"} xref: PMID:19761868 {source="Europe PMC"} xref: PMID:19786012 {source="Europe PMC"} xref: PMID:19902021 {source="Europe PMC"} xref: PMID:19955401 {source="Europe PMC"} xref: PMID:20634506 {source="Europe PMC"} xref: PMID:20920594 {source="Europe PMC"} xref: PMID:21955528 {source="Europe PMC"} xref: PMID:22030224 {source="Europe PMC"} xref: PMID:27206979 {source="Europe PMC"} xref: PMID:28600633 {source="Europe PMC"} xref: PMID:6802973 {source="ChEMBL"} xref: Reaxys:508624 {source="Reaxys"} xref: Wikipedia:Myristic_acid is_a: CHEBI:26607 ! saturated fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C14H28O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TUNFSRHWOTWDNC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "228.37090" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "228.20893" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCCCCCCC(O)=O" xsd:string [Term] id: CHEBI:28917 name: dihydromyricetin namespace: chebi_ontology alt_id: CHEBI:23755 alt_id: CHEBI:4576 def: "A hexahydroxyflavanone that is the 2,3-dihydro derivative of myricetin." [] subset: 3_STAR synonym: "ampelopsin" RELATED [ChEBI] synonym: "rel-(2R,3R)-3,5,7,3',4',5'-hexahydroxyflavanone" RELATED [ChEBI] synonym: "rel-(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:4269977 {source="Beilstein"} is_a: CHEBI:42491 ! flavone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H12O8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KJXSIXMJHKAJOD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "320.25100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "320.05322" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC1C(Oc2cc(O)cc(O)c2C1=O)c1cc(O)c(O)c(O)c1" xsd:string [Term] id: CHEBI:28927 name: sakuranetin namespace: chebi_ontology alt_id: CHEBI:25487 alt_id: CHEBI:8999 def: "A flavonoid phytoalexin that is (S)-naringenin in which the hydroxy group at position 7 is replaced by a methoxy group." [] subset: 3_STAR synonym: "(2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "(2S)-sakuranetin" RELATED [UniProt] synonym: "(S)-(-)-4',5-dihydroxy-7-methoxyflavanone" RELATED [ChemIDplus] synonym: "(S)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one" RELATED [ChemIDplus] synonym: "4',5-dihydroxy-7-methoxyflavanone" RELATED [IUPHAR] synonym: "5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chroman-4-one" RELATED [IUPHAR] synonym: "Naringenin 7-methyl ether" RELATED [KEGG_COMPOUND] synonym: "Sakuranetin" EXACT [KEGG_COMPOUND] xref: Beilstein:92466 {source="Beilstein"} xref: CAS:2957-21-3 {source="ChemIDplus"} xref: CAS:2957-21-3 {source="KEGG COMPOUND"} xref: HMDB:HMDB0030090 xref: KEGG:C09833 xref: KNApSAcK:C00000999 xref: LIPID_MAPS_instance:LMPK12140571 {source="LIPID MAPS"} xref: MetaCyc:CPD-7079 xref: PDBeChem:SAK xref: PMID:18522800 {source="Europe PMC"} xref: PMID:22148193 {source="Europe PMC"} xref: PMID:22512738 {source="Europe PMC"} xref: PMID:22895058 {source="Europe PMC"} xref: PMID:23170811 {source="Europe PMC"} xref: Reaxys:92466 {source="Reaxys"} xref: Wikipedia:Sakuranetin is_a: CHEBI:5070 ! flavanone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H14O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DJOJDHGQRNZXQQ-AWEZNQCLSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "286.27936" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "286.08412" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccc(O)cc1" xsd:string [Term] id: CHEBI:28934 name: vitamin D2 namespace: chebi_ontology alt_id: CHEBI:10007 alt_id: CHEBI:23937 def: "A vitamin D supplement and has been isolated from alfalfa." [] subset: 3_STAR synonym: "(+)-vitamin D2" RELATED [ChemIDplus] synonym: "(3beta,5Z,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol" RELATED [NIST_Chemistry_WebBook] synonym: "(3S,5Z,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol" EXACT IUPAC_NAME [IUPAC] synonym: "(5Z,7E,22E)-(3S)-9,10-seco-5,7,10(19),22-ergostatetraen-3-ol" RELATED [LIPID_MAPS] synonym: "(5Z,7E,22E)-(3S)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol" RELATED [JCBN] synonym: "activated ergosterol" RELATED [ChemIDplus] synonym: "Buco-D" RELATED BRAND_NAME [ChemIDplus] synonym: "calciferol" RELATED [ChemIDplus] synonym: "Decaps" RELATED BRAND_NAME [ChemIDplus] synonym: "Dee-Ron" RELATED BRAND_NAME [ChemIDplus] synonym: "Deltalin" RELATED BRAND_NAME [ChemIDplus] synonym: "Diactol" RELATED BRAND_NAME [ChemIDplus] synonym: "Doral" RELATED BRAND_NAME [ChemIDplus] synonym: "Drisdol" RELATED BRAND_NAME [KEGG_DRUG] synonym: "ercalciol" RELATED [JCBN] synonym: "ergocalciferol" RELATED INN [WHO_MedNet] synonym: "ergocalciferolum" RELATED INN [WHO_MedNet] synonym: "Ertron" RELATED BRAND_NAME [ChemIDplus] synonym: "Geltabs" RELATED BRAND_NAME [ChemIDplus] synonym: "oleovitamin D2" RELATED [NIST_Chemistry_WebBook] synonym: "Ostelin" RELATED BRAND_NAME [ChemIDplus] synonym: "Radiostol" RELATED BRAND_NAME [ChemIDplus] synonym: "Radsterin" RELATED BRAND_NAME [ChemIDplus] synonym: "Rodine C" RELATED BRAND_NAME [ChemIDplus] synonym: "Rodinec" RELATED BRAND_NAME [ChemIDplus] synonym: "Sterogyl" RELATED BRAND_NAME [ChemIDplus] synonym: "Vio-D" RELATED BRAND_NAME [ChemIDplus] synonym: "Viosterol" RELATED BRAND_NAME [ChemIDplus] synonym: "Vitamin D2" EXACT [KEGG_COMPOUND] synonym: "vitamin D2" EXACT [UniProt] synonym: "Vitamina D2" RELATED [ChEBI] synonym: "Vitavel-D" RELATED BRAND_NAME [ChemIDplus] xref: AGR:IND605848433 {source="Europe PMC"} xref: Beilstein:1916682 {source="Beilstein"} xref: CAS:50-14-6 {source="KEGG COMPOUND"} xref: CAS:50-14-6 {source="NIST Chemistry WebBook"} xref: CAS:50-14-6 {source="ChemIDplus"} xref: Chemspider:4444351 xref: Drug_Central:2838 {source="DrugCentral"} xref: DrugBank:DB00153 xref: FooDB:FDB012811 xref: Gmelin:1310395 {source="Gmelin"} xref: HMDB:HMDB0000900 xref: KEGG:C05441 xref: KEGG:D00187 xref: LIPID_MAPS_instance:LMST03010001 {source="LIPID MAPS"} xref: MetaCyc:VITAMIN_D2 xref: Patent:US1680818 xref: Patent:US1871136 xref: Patent:US1902785 xref: Patent:US2030792 xref: PDBeChem:D2V xref: PMCID:PMC6578466 {source="Europe PMC"} xref: PMID:24362707 {source="Europe PMC"} xref: PMID:24780068 {source="Europe PMC"} xref: PMID:24854739 {source="Europe PMC"} xref: PMID:31199458 {source="Europe PMC"} xref: PMID:31614966 {source="Europe PMC"} xref: PMID:31987498 {source="Europe PMC"} xref: PMID:32784944 {source="Europe PMC"} xref: PMID:34302325 {source="Europe PMC"} xref: PPDB:107 xref: Wikipedia:Ergocalciferol is_a: CHEBI:27300 ! vitamin D property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C28H44O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MECHNRXZTMCUDQ-RKHKHRCZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "396.659" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "396.33922" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]1(CC[C@@]2([H])\\C(CCC[C@]12C)=C\\C=C1\\C[C@@H](O)CCC1=C)[C@H](C)\\C=C\\[C@H](C)C(C)C" xsd:string [Term] id: CHEBI:28940 name: calciol namespace: chebi_ontology alt_id: CHEBI:10008 alt_id: CHEBI:23170 alt_id: CHEBI:46283 def: "A hydroxy seco-steroid that is (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group. It is the inactive form of vitamin D3, being hydroxylated in the liver to calcidiol (25-hydroxyvitamin D3), which is then further hydroxylated in the kidney to give calcitriol (1,25-dihydroxyvitamin D3), the active hormone." [] subset: 3_STAR synonym: "(+)-vitamin D3" RELATED [NIST_Chemistry_WebBook] synonym: "(1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL" RELATED [PDBeChem] synonym: "(3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol" RELATED [NIST_Chemistry_WebBook] synonym: "(3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol" EXACT IUPAC_NAME [IUPAC] synonym: "(5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-trien-3-ol" RELATED [JCBN] synonym: "activated 7-dehydrocholesterol" RELATED [ChemIDplus] synonym: "calciol" EXACT [JCBN] synonym: "calciol" EXACT [UniProt] synonym: "CC" RELATED [ChemIDplus] synonym: "Cholecalciferol" RELATED [KEGG_COMPOUND] synonym: "colecalciferol" RELATED [ChemIDplus] synonym: "Delta-D" RELATED BRAND_NAME [KEGG_DRUG] synonym: "oleovitamin D3" RELATED [NIST_Chemistry_WebBook] synonym: "Vitamin D3" RELATED [KEGG_COMPOUND] synonym: "Vitamin D3" RELATED [LIPID_MAPS] synonym: "vitamin D3" RELATED [ChEBI] xref: Beilstein:2339331 {source="Beilstein"} xref: CAS:67-97-0 {source="ChemIDplus"} xref: CAS:67-97-0 {source="NIST Chemistry WebBook"} xref: CAS:67-97-0 {source="KEGG COMPOUND"} xref: Drug_Central:2840 {source="DrugCentral"} xref: DrugBank:DB00169 xref: Gmelin:1267613 {source="Gmelin"} xref: HMDB:HMDB0000876 xref: KEGG:C05443 xref: KEGG:D00188 xref: LIPID_MAPS_instance:LMST03020000 {source="LIPID MAPS"} xref: LIPID_MAPS_instance:LMST03020001 {source="LIPID MAPS"} xref: PDBeChem:VD3 xref: PMID:10347174 {source="Europe PMC"} xref: PMID:11493580 {source="Europe PMC"} xref: PMID:12174089 {source="Europe PMC"} xref: PMID:12955389 {source="Europe PMC"} xref: PMID:15214747 {source="Europe PMC"} xref: PMID:15876428 {source="Europe PMC"} xref: PMID:16886665 {source="Europe PMC"} xref: PMID:17156784 {source="Europe PMC"} xref: PMID:184223 {source="Europe PMC"} xref: PMID:19817701 {source="Europe PMC"} xref: PMID:23964472 {source="Europe PMC"} xref: PMID:24304198 {source="Europe PMC"} xref: PMID:2838261 {source="Europe PMC"} xref: PMID:2997282 {source="Europe PMC"} xref: PMID:3494111 {source="Europe PMC"} xref: PMID:6265326 {source="Europe PMC"} xref: PMID:9627702 {source="Europe PMC"} xref: PPDB:160 xref: Reaxys:2339331 {source="Reaxys"} xref: Wikipedia:Cholecalciferol is_a: CHEBI:73558 ! D3 vitamins property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H44O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QYSXJUFSXHHAJI-YRZJJWOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "384.63766" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "384.33922" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CCCC(C)C" xsd:string [Term] id: CHEBI:28941 name: docosanoic acid namespace: chebi_ontology alt_id: CHEBI:25463 alt_id: CHEBI:3003 def: "A straight-chain, C22, long-chain saturated fatty acid." [] subset: 3_STAR synonym: "1-docosanoic acid" RELATED [ChEBI] synonym: "Behenic acid" RELATED [KEGG_COMPOUND] synonym: "behenic acid" RELATED [] synonym: "Behensaeure" RELATED [ChEBI] synonym: "CH3-[CH2]20-COOH" RELATED [IUPAC] synonym: "docosanic acid" RELATED [ChEBI] synonym: "Docosanoate" RELATED [KEGG_COMPOUND] synonym: "Docosanoic acid" EXACT [KEGG_COMPOUND] synonym: "docosanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Docosansaeure" RELATED [ChEBI] synonym: "docosoic acid" RELATED [ChEBI] synonym: "Dokosansaeure" RELATED [ChEBI] synonym: "Heneicosansaeure" RELATED [ChEBI] synonym: "n-docosanoic acid" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1792887 {source="Beilstein"} xref: CAS:112-85-6 {source="KEGG COMPOUND"} xref: CAS:112-85-6 {source="ChemIDplus"} xref: CAS:112-85-6 {source="NIST Chemistry WebBook"} xref: Chemspider:7923 xref: Drug_Central:3855 {source="DrugCentral"} xref: FooDB:FDB005830 xref: Gmelin:232293 {source="Gmelin"} xref: HMDB:HMDB0000944 xref: KEGG:C08281 xref: KNApSAcK:C00001211 xref: LIPID_MAPS_instance:LMFA01010022 {source="LIPID MAPS"} xref: PDBeChem:EO3 xref: PMID:11124748 {source="Europe PMC"} xref: PMID:12357383 {source="Europe PMC"} xref: PMID:15716582 {source="Europe PMC"} xref: PMID:20565070 {source="Europe PMC"} xref: PMID:32601219 {source="Europe PMC"} xref: Reaxys:1792887 {source="Reaxys"} xref: Wikipedia:Behenic_acid is_a: CHEBI:26607 ! saturated fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H44O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UKMSUNONTOPOIO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "340.592" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "340.33413" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCCCCCCCCCCCCCCC(O)=O" xsd:string [Term] id: CHEBI:28946 name: theobromine namespace: chebi_ontology alt_id: CHEBI:26939 alt_id: CHEBI:39914 alt_id: CHEBI:9521 def: "A dimethylxanthine having the two methyl groups located at positions 3 and 7. A purine alkaloid derived from the cacao plant, it is found in chocolate, as well as in a number of other foods, and is a vasodilator, diuretic and heart stimulator." [] subset: 3_STAR synonym: "3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione" RELATED [NIST_Chemistry_WebBook] synonym: "3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione" EXACT IUPAC_NAME [IUPAC] synonym: "3,7-dimethylpurine-2,6-dione" RELATED [DrugBank] synonym: "3,7-Dimethylxanthine" RELATED [KEGG_COMPOUND] synonym: "3,7-dimethylxanthine" RELATED [ChEBI] synonym: "Theobromin" RELATED [ChEBI] synonym: "THEOBROMINE" EXACT [PDBeChem] synonym: "Theobromine" EXACT [KEGG_COMPOUND] synonym: "theobromine" EXACT [ChEBI] synonym: "theobromine" EXACT [UniProt] xref: Beilstein:16464 {source="Beilstein"} xref: CAS:83-67-0 {source="ChemIDplus"} xref: CAS:83-67-0 {source="KEGG COMPOUND"} xref: CAS:83-67-0 {source="NIST Chemistry WebBook"} xref: Drug_Central:2618 {source="DrugCentral"} xref: DrugBank:DB01412 xref: Gmelin:143367 {source="Gmelin"} xref: HMDB:HMDB0002825 xref: KEGG:C07480 xref: KNApSAcK:C00001509 xref: LINCS:LSM-5483 xref: MetaCyc:3-7-DIMETHYLXANTHINE xref: PDBeChem:37T xref: PMID:10456233 {source="Europe PMC"} xref: PMID:11600064 {source="Europe PMC"} xref: PMID:16979558 {source="Europe PMC"} xref: PMID:18632476 {source="Europe PMC"} xref: PMID:18964243 {source="Europe PMC"} xref: PMID:19018565 {source="Europe PMC"} xref: PMID:21839757 {source="Europe PMC"} xref: PMID:21871761 {source="Europe PMC"} xref: PMID:22751681 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:22824731 {source="Europe PMC"} xref: PMID:22866022 {source="Europe PMC"} xref: PMID:23094271 {source="Europe PMC"} xref: PMID:23236361 {source="Europe PMC"} xref: PMID:28166217 {source="Europe PMC"} xref: PMID:9468592 {source="Europe PMC"} xref: Reaxys:16464 {source="Reaxys"} xref: Wikipedia:Theobromine is_a: CHEBI:22315 ! alkaloid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H8N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YAPQBXQYLJRXSA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "180.16418" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "180.06473" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cn1cnc2n(C)c(=O)[nH]c(=O)c12" xsd:string [Term] id: CHEBI:29016 name: arginine namespace: chebi_ontology alt_id: CHEBI:22616 alt_id: CHEBI:2643 def: "An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group." [] subset: 3_STAR synonym: "2-amino-5-(carbamimidamido)pentanoic acid" RELATED [IUPAC] synonym: "2-amino-5-guanidinopentanoic acid" RELATED [JCBN] synonym: "2-Amino-5-guanidinovaleric acid" RELATED [KEGG_COMPOUND] synonym: "Arginin" RELATED [ChEBI] synonym: "Arginine" EXACT [KEGG_COMPOUND] synonym: "arginine" EXACT IUPAC_NAME [IUPAC] synonym: "Harg" RELATED [IUPAC] xref: Beilstein:1725411 {source="Beilstein"} xref: CAS:7200-25-1 {source="ChemIDplus"} xref: KEGG:C02385 xref: PMID:10848923 {source="Europe PMC"} xref: Reaxys:1725411 {source="Reaxys"} xref: Wikipedia:L-Arginine is_a: CHEBI:33709 ! amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H14N4O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ODKSFYDXXFIFQN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "174.20112" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "174.11168" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(CCCNC(N)=N)C(O)=O" xsd:string [Term] id: CHEBI:29033 name: iron(2+) namespace: chebi_ontology alt_id: CHEBI:13319 alt_id: CHEBI:13321 alt_id: CHEBI:21129 alt_id: CHEBI:24876 alt_id: CHEBI:34754 alt_id: CHEBI:49599 subset: 3_STAR synonym: "FE (II) ION" RELATED [PDBeChem] synonym: "Fe(2+)" RELATED [UniProt] synonym: "Fe(II)" RELATED [KEGG_COMPOUND] synonym: "Fe2+" RELATED [KEGG_COMPOUND] synonym: "Ferrous ion" RELATED [KEGG_COMPOUND] synonym: "iron ion(2+)" RELATED [ChemIDplus] synonym: "Iron(2+)" EXACT [KEGG_COMPOUND] synonym: "iron(2+)" EXACT IUPAC_NAME [IUPAC] synonym: "iron(2+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "iron(II) cation" EXACT IUPAC_NAME [IUPAC] xref: CAS:15438-31-0 {source="ChemIDplus"} xref: Gmelin:6845 {source="Gmelin"} xref: KEGG:C14818 xref: PDBeChem:FE2 is_a: CDNO:0000026 ! dietary iron property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Fe" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Fe/q+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CWYNVVGOOAEACU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "55.84500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "55.93384" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Fe++]" xsd:string [Term] id: CHEBI:29036 name: copper(2+) namespace: chebi_ontology alt_id: CHEBI:20882 alt_id: CHEBI:23380 alt_id: CHEBI:49550 def: "An ion of copper carrying a double positive charge." [] subset: 3_STAR synonym: "COPPER (II) ION" RELATED [PDBeChem] synonym: "copper(2+)" EXACT IUPAC_NAME [IUPAC] synonym: "copper(2+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "copper(II) cation" EXACT IUPAC_NAME [IUPAC] synonym: "copper(II) cation" RELATED [ChEBI] synonym: "copper, ion (Cu2+)" RELATED [ChemIDplus] synonym: "Cu(2+)" RELATED [UniProt] synonym: "Cu(II)" RELATED [ChEBI] synonym: "Cu2+" RELATED [ChEBI] synonym: "cupric ion" RELATED [ChEBI] xref: CAS:15158-11-9 {source="ChemIDplus"} xref: Gmelin:6855 {source="Gmelin"} xref: PDBeChem:CU xref: PMID:23900424 {source="Europe PMC"} xref: PMID:24168430 {source="Europe PMC"} xref: Reaxys:3587177 {source="Reaxys"} is_a: CDNO:0000023 ! dietary copper property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Cu" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Cu/q+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JPVYNHNXODAKFH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "63.54600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "62.92850" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cu++]" xsd:string [Term] id: CHEBI:29041 name: manganese(3+) namespace: chebi_ontology alt_id: CHEBI:13383 alt_id: CHEBI:21436 alt_id: CHEBI:25157 alt_id: CHEBI:49743 subset: 3_STAR synonym: "MANGANESE (III) ION" RELATED [PDBeChem] synonym: "manganese(3+)" EXACT IUPAC_NAME [IUPAC] synonym: "manganese(3+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "manganese(3+), ion" RELATED [ChemIDplus] synonym: "manganese(III) cation" EXACT IUPAC_NAME [IUPAC] synonym: "manganic ion" RELATED [ChEBI] synonym: "Mn(3+)" RELATED [UniProt] synonym: "Mn(3+)" RELATED [IUPAC] xref: CAS:14546-48-6 {source="ChemIDplus"} xref: Gmelin:15999 {source="Gmelin"} xref: PDBeChem:MN3 is_a: CDNO:0000027 ! dietary manganese property_value: http://purl.obolibrary.org/obo/chebi/charge "+3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Mn" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Mn/q+3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MMIPFLVOWGHZQD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "54.93805" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "54.93640" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Mn+3]" xsd:string [Term] id: CHEBI:29073 name: L-ascorbic acid namespace: chebi_ontology alt_id: CHEBI:21240 alt_id: CHEBI:2868 alt_id: CHEBI:40892 alt_id: CHEBI:43473 def: "The L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate." [] subset: 3_STAR synonym: "(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one" EXACT IUPAC_NAME [IUPAC] synonym: "acide ascorbique" RELATED INN [ChemIDplus] synonym: "acido ascorbico" RELATED INN [ChemIDplus] synonym: "acidum ascorbicum" RELATED INN [ChemIDplus] synonym: "acidum ascorbinicum" RELATED [ChemIDplus] synonym: "Ascoltin" RELATED BRAND_NAME [KEGG_DRUG] synonym: "ASCORBIC ACID" RELATED [PDBeChem] synonym: "Ascorbic acid" RELATED [KEGG_COMPOUND] synonym: "ascorbic acid" RELATED INN [KEGG_DRUG] synonym: "Ascorbicap" RELATED [KEGG_DRUG] synonym: "Ascorbinsaeure" RELATED [ChEBI] synonym: "E 300" RELATED [ChEBI] synonym: "E-300" RELATED [ChEBI] synonym: "E300" RELATED [ChEBI] synonym: "L-(+)-ascorbic acid" RELATED [NIST_Chemistry_WebBook] synonym: "L-Ascorbate" RELATED [KEGG_COMPOUND] synonym: "L-Ascorbic acid" EXACT [KEGG_COMPOUND] synonym: "L-threo-hex-2-enono-1,4-lactone" EXACT IUPAC_NAME [IUPAC] synonym: "Vitamin C" RELATED [KEGG_COMPOUND] xref: Beilstein:84272 {source="Beilstein"} xref: BPDB:2405 xref: CAS:50-81-7 {source="KEGG COMPOUND"} xref: CAS:50-81-7 {source="ChemIDplus"} xref: CAS:50-81-7 {source="NIST Chemistry WebBook"} xref: Drug_Central:4072 {source="DrugCentral"} xref: DrugBank:DB00126 xref: Gmelin:4087 {source="Gmelin"} xref: HMDB:HMDB0000044 xref: KEGG:C00072 xref: KEGG:D00018 xref: KNApSAcK:C00001179 xref: MetaCyc:ASCORBATE xref: PDBeChem:ASC xref: PMID:10799361 {source="Europe PMC"} xref: PMID:12180551 {source="Europe PMC"} xref: PMID:12569111 {source="Europe PMC"} xref: PMID:15917019 {source="Europe PMC"} xref: PMID:15925292 {source="Europe PMC"} xref: PMID:15949874 {source="Europe PMC"} xref: PMID:16425787 {source="Europe PMC"} xref: PMID:16522902 {source="Europe PMC"} xref: PMID:16611389 {source="Europe PMC"} xref: PMID:16725131 {source="Europe PMC"} xref: PMID:17253561 {source="Europe PMC"} xref: PMID:17623524 {source="Europe PMC"} xref: PMID:17636648 {source="Europe PMC"} xref: PMID:18813862 {source="Europe PMC"} xref: PMID:19273781 {source="Europe PMC"} xref: PMID:19580823 {source="Europe PMC"} xref: PMID:19692922 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:3015170 {source="Europe PMC"} xref: PMID:491997 {source="Europe PMC"} xref: PMID:5477017 {source="Europe PMC"} xref: PMID:7711198 {source="Europe PMC"} xref: PMID:8467348 {source="Europe PMC"} xref: PMID:8726814 {source="Europe PMC"} xref: PMID:9506998 {source="Europe PMC"} xref: Reaxys:84272 {source="Reaxys"} xref: Wikipedia:Ascorbic_Acid is_a: CHEBI:176783 ! vitamin C is_a: CHEBI:22652 ! ascorbic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H8O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CIWBSHSKHKDKBQ-JLAZNSOCSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "176.12410" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "176.03209" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]1(OC(=O)C(O)=C1O)[C@@H](O)CO" xsd:string [Term] id: CHEBI:29101 name: sodium(1+) namespace: chebi_ontology alt_id: CHEBI:26717 alt_id: CHEBI:49766 alt_id: CHEBI:9175 def: "A monoatomic monocation obtained from sodium." [] subset: 3_STAR synonym: "Na(+)" RELATED [UniProt] synonym: "Na(+)" RELATED [IUPAC] synonym: "Na+" RELATED [KEGG_COMPOUND] synonym: "sodium cation" EXACT IUPAC_NAME [IUPAC] synonym: "SODIUM ION" RELATED [PDBeChem] synonym: "sodium(1+)" EXACT IUPAC_NAME [IUPAC] synonym: "sodium(1+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "sodium(I) cation" EXACT IUPAC_NAME [IUPAC] xref: CAS:17341-25-2 {source="ChemIDplus"} xref: CAS:17341-25-2 {source="NIST Chemistry WebBook"} xref: Gmelin:15196 {source="Gmelin"} xref: KEGG:C01330 xref: PDBeChem:NA is_a: CDNO:0000020 ! dietary sodium property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Na" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Na/q+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FKNQFGJONOIPTF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "22.98977" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "22.98922" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+]" xsd:string [Term] id: CHEBI:29103 name: potassium(1+) namespace: chebi_ontology alt_id: CHEBI:26219 alt_id: CHEBI:49685 alt_id: CHEBI:8345 def: "A monoatomic monocation obtained from potassium." [] subset: 3_STAR synonym: "K(+)" RELATED [UniProt] synonym: "K(+)" RELATED [IUPAC] synonym: "K+" RELATED [KEGG_COMPOUND] synonym: "potassium cation" EXACT IUPAC_NAME [IUPAC] synonym: "POTASSIUM ION" RELATED [PDBeChem] synonym: "potassium(1+)" EXACT IUPAC_NAME [IUPAC] synonym: "potassium(1+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "potassium(I) cation" EXACT IUPAC_NAME [IUPAC] xref: CAS:24203-36-9 {source="NIST Chemistry WebBook"} xref: Gmelin:15203 {source="Gmelin"} xref: KEGG:C00238 xref: KEGG:D08403 xref: PDBeChem:K is_a: CDNO:0000019 ! dietary potassium property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "K" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/K/q+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NPYPAHLBTDXSSS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "39.09830" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "38.96316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[K+]" xsd:string [Term] id: CHEBI:29105 name: zinc(2+) namespace: chebi_ontology alt_id: CHEBI:10113 alt_id: CHEBI:27368 alt_id: CHEBI:49972 alt_id: CHEBI:49982 subset: 3_STAR synonym: "dietary zinc" RELATED [ChEBI] synonym: "zinc cation" RELATED [IUPAC] synonym: "ZINC ION" RELATED [PDBeChem] synonym: "zinc(2+)" EXACT IUPAC_NAME [IUPAC] synonym: "zinc(2+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "zinc(II) cation" EXACT IUPAC_NAME [IUPAC] synonym: "zinc, ion (Zn2+)" RELATED [ChemIDplus] synonym: "Zn(2+)" RELATED [UniProt] synonym: "Zn(2+)" RELATED [IUPAC] synonym: "Zn(II)" RELATED [KEGG_COMPOUND] synonym: "Zn2+" RELATED [KEGG_COMPOUND] xref: CAS:23713-49-7 {source="ChemIDplus"} xref: Gmelin:6869 {source="Gmelin"} xref: KEGG:C00038 xref: PDBeChem:ZN is_a: CDNO:0000030 ! dietary zinc property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Zn" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Zn/q+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PTFCDOFLOPIGGS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "65.39000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "63.92804" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Zn++]" xsd:string [Term] id: CHEBI:29108 name: calcium(2+) namespace: chebi_ontology alt_id: CHEBI:22988 alt_id: CHEBI:3308 alt_id: CHEBI:48760 subset: 3_STAR synonym: "Ca(2+)" RELATED [IUPAC] synonym: "Ca(2+)" RELATED [UniProt] synonym: "Ca2+" RELATED [KEGG_COMPOUND] synonym: "CALCIUM ION" RELATED [PDBeChem] synonym: "calcium(2+)" EXACT IUPAC_NAME [IUPAC] synonym: "calcium(2+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "calcium(II) cation" EXACT IUPAC_NAME [IUPAC] synonym: "calcium, doubly charged positive ion" RELATED [NIST_Chemistry_WebBook] xref: CAS:14127-61-8 {source="ChemIDplus"} xref: CAS:14127-61-8 {source="NIST Chemistry WebBook"} xref: Gmelin:6850 {source="Gmelin"} xref: KEGG:C00076 xref: PDBeChem:CA is_a: CDNO:0000015 ! dietary calcium property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Ca" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ca/q+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BHPQYMZQTOCNFJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "40.07800" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "39.96149" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ca++]" xsd:string [Term] id: CHEBI:29222 name: hypochlorite namespace: chebi_ontology subset: 3_STAR synonym: "[ClO](-)" RELATED [IUPAC] synonym: "ClO(-)" RELATED [IUPAC] synonym: "Hypochlorit" RELATED [ChEBI] synonym: "hypochlorite" EXACT IUPAC_NAME [IUPAC] synonym: "oxidochlorate(1-)" EXACT IUPAC_NAME [IUPAC] xref: CAS:14380-61-1 {source="ChemIDplus"} xref: Gmelin:682 {source="Gmelin"} xref: Wikipedia:Hypochlorite is_a: CHEBI:17996 ! chloride property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "ClO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClO/c1-2/q-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WQYVRQLZKVEZGA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "51.45210" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "50.96432" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]Cl" xsd:string [Term] id: CHEBI:29256 name: thiol namespace: chebi_ontology alt_id: CHEBI:13443 alt_id: CHEBI:13696 alt_id: CHEBI:17366 alt_id: CHEBI:26969 alt_id: CHEBI:8766 alt_id: CHEBI:9556 def: "An organosulfur compound in which a thiol group, -SH, is attached to a carbon atom of any aliphatic or aromatic moiety." [] subset: 3_STAR synonym: "a thiol" RELATED [UniProt] synonym: "Mercaptan" RELATED [KEGG_COMPOUND] synonym: "mercaptans" RELATED [ChEBI] synonym: "Merkaptan" RELATED [ChEBI] synonym: "RSH" RELATED [IUPAC] synonym: "Thiol" EXACT [KEGG_COMPOUND] synonym: "thiols" EXACT IUPAC_NAME [IUPAC] synonym: "thiols" RELATED [ChEBI] xref: KEGG:C00145 xref: Wikipedia:Thiol is_a: CHEBI:33261 ! organosulfur compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HSR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "33.07300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "32.97990" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "S[*]" xsd:string [Term] id: CHEBI:29503 name: 4',7-dihydroxyflavone namespace: chebi_ontology alt_id: CHEBI:74906 def: "A dihydroxyflavone in which the two hydroxy substituents are located at positions 4' and 7." [] subset: 3_STAR synonym: "7,4'-Dihydroxyflavone" RELATED [KEGG_COMPOUND] synonym: "7-hydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] xref: CAS:2196-14-7 {source="ChemIDplus"} xref: CAS:2196-14-7 {source="KEGG COMPOUND"} xref: KEGG:C12123 xref: KNApSAcK:C00003800 xref: LINCS:LSM-4649 xref: LIPID_MAPS_instance:LMPK12110035 {source="LIPID MAPS"} xref: Reaxys:224356 {source="Reaxys"} xref: Wikipedia:4'\,7-Dihydroxyflavone is_a: CHEBI:42491 ! flavone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H10O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,16-17H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LCAWNFIFMLXZPQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "254.23750" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "254.05791" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1" xsd:string [Term] id: CHEBI:2979 name: baicalein namespace: chebi_ontology def: "A trihydroxyflavone with the hydroxy groups at positions C-5, -6 and -7." [] subset: 3_STAR synonym: "5,6,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one" RELATED [IUPAC] synonym: "5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "5,6,7-Trihydroxyflavone" RELATED [KEGG_COMPOUND] synonym: "Baicalein" EXACT [KEGG_COMPOUND] synonym: "Noroxylin" RELATED BRAND_NAME [ChemIDplus] xref: Beilstein:272683 {source="Beilstein"} xref: CAS:491-67-8 {source="KEGG COMPOUND"} xref: CAS:491-67-8 {source="ChemIDplus"} xref: Chemspider:4444924 xref: DrugBank:DB16101 xref: FooDB:FDB012057 xref: HMDB:HMDB0134890 xref: KEGG:C10023 xref: KNApSAcK:C00001022 xref: LINCS:LSM-6355 xref: LIPID_MAPS_instance:LMPK12111095 {source="LIPID MAPS"} xref: MetaCyc:CPD-12724 xref: Patent:CN102429899 xref: PDBeChem:3WL xref: PMID:10724177 {source="Europe PMC"} xref: PMID:11513834 {source="Europe PMC"} xref: PMID:15853750 {source="Europe PMC"} xref: PMID:22114686 {source="Europe PMC"} xref: PMID:22891631 {source="Europe PMC"} xref: PMID:23098745 {source="Europe PMC"} xref: PMID:23339711 {source="Europe PMC"} xref: PMID:26268338 {source="Europe PMC"} xref: PMID:28166217 {source="Europe PMC"} xref: PMID:31976018 {source="Europe PMC"} xref: PMID:32618193 {source="Europe PMC"} xref: PMID:32737471 {source="Europe PMC"} xref: PMID:32781058 {source="Europe PMC"} xref: PMID:33062636 {source="Europe PMC"} xref: PMID:33075645 {source="Europe PMC"} xref: PMID:33095440 {source="Europe PMC"} xref: PMID:33121927 {source="Europe PMC"} xref: PMID:33166766 {source="Europe PMC"} xref: PMID:33272570 {source="Europe PMC"} xref: PMID:33348871 {source="Europe PMC"} xref: PMID:33446085 {source="Europe PMC"} xref: PMID:33491508 {source="Europe PMC"} xref: PMID:33511213 {source="Europe PMC"} xref: PMID:33670013 {source="Europe PMC"} xref: PMID:33777154 {source="Europe PMC"} xref: PMID:33779329 {source="Europe PMC"} xref: PMID:33794322 {source="Europe PMC"} xref: PMID:33880917 {source="Europe PMC"} xref: PMID:33921971 {source="Europe PMC"} xref: PMID:33939310 {source="Europe PMC"} xref: PMID:33996574 {source="Europe PMC"} xref: PMID:34008261 {source="Europe PMC"} xref: PMID:34015760 {source="Europe PMC"} xref: PMID:34038512 {source="Europe PMC"} xref: PMID:34044073 {source="Europe PMC"} xref: PMID:34060266 {source="Europe PMC"} xref: PMID:34072443 {source="Europe PMC"} xref: PMID:59001 {source="Europe PMC"} xref: Reaxys:272683 {source="Reaxys"} xref: Wikipedia:Baicalein is_a: CHEBI:42491 ! flavone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H10O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FXNFHKRTJBSTCS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "270.240" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "270.05282" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC1=C(O)C(O)=C2C(=O)C=C(OC2=C1)C1=CC=CC=C1" xsd:string [Term] id: CHEBI:29864 name: mannitol namespace: chebi_ontology alt_id: CHEBI:14574 alt_id: CHEBI:25163 def: "A hexitol produced by a variety of organisms including bacteria, fungi, lichens and plants." [] subset: 3_STAR synonym: "mannitol" EXACT IUPAC_NAME [IUPAC] xref: PMID:24269997 {source="Europe PMC"} xref: PMID:24323504 {source="Europe PMC"} xref: PMID:24374122 {source="Europe PMC"} xref: PMID:24861101 {source="Europe PMC"} xref: Wikipedia:Mannitol is_a: CHEBI:26191 ! polyol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H14O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "182.172" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "182.07904" xsd:string [Term] id: CHEBI:30168 name: boron(3+) namespace: chebi_ontology subset: 3_STAR synonym: "B(3+)" RELATED [IUPAC] synonym: "boron(3+)" EXACT IUPAC_NAME [IUPAC] synonym: "boron(3+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "boron(III) cation" EXACT IUPAC_NAME [IUPAC] synonym: "Boron, ion(3+)" RELATED [ChemIDplus] xref: CAS:22537-21-9 {source="ChemIDplus"} is_a: CDNO:0000012 ! trace element property_value: http://purl.obolibrary.org/obo/chebi/charge "+3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "B" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/B/q+3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FRWDHMWMHYXNLW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "10.81100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "11.00766" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[B+3]" xsd:string [Term] id: CHEBI:30248 name: beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc name: β-D-Gal-(1→3)-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-D-Glc namespace: chebi_ontology alt_id: CHEBI:10379 alt_id: CHEBI:12348 alt_id: CHEBI:13377 alt_id: CHEBI:22759 alt_id: CHEBI:22771 def: "A tetrasaccharide comprising residues of galactose, N-acetylglucosamine, galactose and glucose in a linear sequence, all joined by beta-linkages." [] subset: 3_STAR synonym: "(Gal)2 (Glc)1 (GlcNAc)1" RELATED [ChEBI] synonym: "beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc" EXACT [KEGG_COMPOUND] synonym: "beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc" EXACT [UniProt] synonym: "beta-D-gal-(1->3)-beta-D-glcNAc-(1->3)-beta-D-gal-(1->4)-D-glc" EXACT [ChEBI] synonym: "beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose" EXACT IUPAC_NAME [IUPAC] synonym: "beta-Gal1,3-beta-GlcNAc1,3-beta-Gal1,4-Glc" RELATED [ChEBI] synonym: "Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc" RELATED [ChEBI] synonym: "Lacto-N-tetraose" RELATED [KEGG_COMPOUND] synonym: "Lacto-N-tetraose" RELATED [] synonym: "Lc4" RELATED [KEGG_GLYCAN] synonym: "LNT" RELATED [KEGG_GLYCAN] synonym: "r-Lactotetraose-HSA" RELATED [KEGG_GLYCAN] synonym: "WURCS=2.0/3,4,3/[a2122h-1x_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2/a4-b1_b3-c1_c3-d1" RELATED [GlyTouCan] xref: GlyGen:G45827GY xref: GlyTouCan:G45827GY xref: KEGG:C06371 xref: KEGG:G00395 xref: PMID:10420591 {source="Europe PMC"} xref: PMID:10571152 {source="Europe PMC"} xref: PMID:11425797 {source="Europe PMC"} xref: PMID:12950254 {source="Europe PMC"} xref: PMID:15158661 {source="Europe PMC"} xref: PMID:16442513 {source="Europe PMC"} xref: PMID:18280461 {source="Europe PMC"} xref: PMID:1954629 {source="Europe PMC"} xref: PMID:2413844 {source="Europe PMC"} xref: PMID:2776132 {source="Europe PMC"} xref: PMID:3274083 {source="Europe PMC"} xref: PMID:6083447 {source="Europe PMC"} xref: PMID:6194884 {source="Europe PMC"} xref: PMID:7574700 {source="Europe PMC"} xref: PMID:7790083 {source="Europe PMC"} xref: PMID:9271064 {source="Europe PMC"} xref: Reaxys:4780271 {source="Reaxys"} is_a: CHEBI:50699 ! oligosaccharide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C26H45NO21" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C26H45NO21/c1-6(32)27-11-21(47-25-18(39)15(36)12(33)7(2-28)44-25)13(34)8(3-29)43-24(11)48-22-14(35)9(4-30)45-26(19(22)40)46-20-10(5-31)42-23(41)17(38)16(20)37/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18-,19-,20-,21-,22+,23?,24+,25+,26+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AXQLFFDZXPOFPO-FSGZUBPKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "707.632" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "707.24841" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:30475 name: tin(2+) namespace: chebi_ontology subset: 3_STAR synonym: "Sn(2+)" RELATED [IUPAC] synonym: "tin(2+)" EXACT IUPAC_NAME [IUPAC] synonym: "tin(2+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "tin(II) cation" EXACT IUPAC_NAME [IUPAC] synonym: "Tin, ion (Sn2+)" RELATED [ChemIDplus] xref: CAS:22541-90-8 {source="ChemIDplus"} xref: Gmelin:6867 {source="Gmelin"} is_a: CDNO:0000012 ! trace element property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Sn" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Sn/q+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IUTCEZPPWBHGIX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "118.71000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "119.90111" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Sn++]" xsd:string [Term] id: CHEBI:30744 name: oxaloacetic acid namespace: chebi_ontology alt_id: CHEBI:24959 alt_id: CHEBI:25734 alt_id: CHEBI:7812 def: "An oxodicarboxylic acid that is succinic acid bearing a single oxo group." [] subset: 3_STAR synonym: "2-Oxobutanedioic acid" RELATED [KEGG_COMPOUND] synonym: "2-oxobutanedioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2-oxosuccinic acid" RELATED [NIST_Chemistry_WebBook] synonym: "3-carboxy-3-oxopropanoic acid" RELATED [IUPAC] synonym: "keto-succinic acid" RELATED [ChEBI] synonym: "ketosuccinic acid" RELATED [NIST_Chemistry_WebBook] synonym: "OAA" RELATED [NIST_Chemistry_WebBook] synonym: "Oxalacetic acid" RELATED [KEGG_COMPOUND] synonym: "Oxaloacetic acid" EXACT [KEGG_COMPOUND] synonym: "oxobutanedioic acid" RELATED [ChEBI] synonym: "Oxosuccinic acid" RELATED [KEGG_COMPOUND] xref: Beilstein:1705475 {source="Beilstein"} xref: CAS:328-42-7 {source="KEGG COMPOUND"} xref: CAS:328-42-7 {source="ChemIDplus"} xref: CAS:328-42-7 {source="NIST Chemistry WebBook"} xref: Gmelin:1042886 {source="Gmelin"} xref: HMDB:HMDB0000223 xref: KEGG:C00036 xref: KNApSAcK:C00001197 xref: LIPID_MAPS_instance:LMFA01170061 {source="LIPID MAPS"} xref: MetaCyc:OXALACETIC_ACID xref: Patent:US2011064679 xref: PDBeChem:OAA xref: PMID:15710237 {source="Europe PMC"} xref: PMID:17190852 {source="Europe PMC"} xref: PMID:19793063 {source="Europe PMC"} xref: PMID:21825143 {source="Europe PMC"} xref: PMID:22451473 {source="Europe PMC"} xref: PMID:28322963 {source="Europe PMC"} xref: PMID:4014670 {source="Europe PMC"} xref: PMID:8422384 {source="Europe PMC"} xref: Reaxys:1705475 {source="Reaxys"} xref: Wikipedia:Oxaloacetic_acid is_a: CHEBI:64709 ! organic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H4O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KHPXUQMNIQBQEV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "132.07160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "132.00587" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)CC(=O)C(O)=O" xsd:string [Term] id: CHEBI:30745 name: phenylacetic acid namespace: chebi_ontology alt_id: CHEBI:25977 alt_id: CHEBI:44686 alt_id: CHEBI:8085 def: "A monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group." [] subset: 3_STAR synonym: "2-PHENYLACETIC ACID" RELATED [PDBeChem] synonym: "2-Phenylethanoic acid" RELATED [HMDB] synonym: "alpha-toluic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Benzeneacetic acid" RELATED [KEGG_COMPOUND] synonym: "benzeneacetic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Benzylformic acid" RELATED [KEGG_COMPOUND] synonym: "Omega-Phenylacetic acid" RELATED [HMDB] synonym: "omega-phenylacetic acid" RELATED [HMDB] synonym: "PA" RELATED [ChEBI] synonym: "Phenylacetic acid" EXACT [KEGG_COMPOUND] synonym: "phenylacetic acid" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1099647 {source="Beilstein"} xref: CAS:103-82-2 {source="KEGG COMPOUND"} xref: CAS:103-82-2 {source="ChemIDplus"} xref: CAS:103-82-2 {source="NIST Chemistry WebBook"} xref: Drug_Central:4624 {source="DrugCentral"} xref: ECMDB:ECMDB04128 xref: Gmelin:68976 {source="Gmelin"} xref: HMDB:HMDB0000209 xref: KEGG:C07086 xref: KNApSAcK:C00000750 xref: MetaCyc:PHENYLACETATE xref: PDBeChem:PAC xref: PMID:12147706 {source="Europe PMC"} xref: PMID:12569987 {source="Europe PMC"} xref: PMID:15057459 {source="Europe PMC"} xref: PMID:15506622 {source="Europe PMC"} xref: PMID:15646820 {source="Europe PMC"} xref: PMID:17622769 {source="Europe PMC"} xref: PMID:2083978 {source="Europe PMC"} xref: PMID:24587751 {source="Europe PMC"} xref: PMID:24631718 {source="Europe PMC"} xref: PMID:7544181 {source="Europe PMC"} xref: PMID:7716788 {source="Europe PMC"} xref: Reaxys:1099647 {source="Reaxys"} xref: Wikipedia:Phenylacetic_acid xref: YMDB:YMDB00891 is_a: CHEBI:51867 ! methyl ketone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H8O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WLJVXDMOQOGPHL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "136.14792" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "136.05243" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)Cc1ccccc1" xsd:string [Term] id: CHEBI:30768 name: propionic acid namespace: chebi_ontology alt_id: CHEBI:26304 alt_id: CHEBI:45227 alt_id: CHEBI:8476 def: "A short-chain saturated fatty acid comprising ethane attached to the carbon of a carboxy group." [] subset: 3_STAR synonym: "acide propanoique" RELATED [ChEBI] synonym: "acide propionique" RELATED [NIST_Chemistry_WebBook] synonym: "carboxyethane" RELATED [ChemIDplus] synonym: "CH3-CH2-COOH" RELATED [IUPAC] synonym: "ethanecarboxylic acid" RELATED [ChemIDplus] synonym: "ethylformic acid" RELATED [ChemIDplus] synonym: "metacetonic acid" RELATED [ChemIDplus] synonym: "methylacetic acid" RELATED [ChemIDplus] synonym: "PA" RELATED [ChEBI] synonym: "PROPANOIC ACID" RELATED [PDBeChem] synonym: "Propanoic acid" RELATED [KEGG_COMPOUND] synonym: "propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "propioic acid" RELATED [LIPID_MAPS] synonym: "Propionic acid" EXACT [KEGG_COMPOUND] synonym: "propionic acid" EXACT [IUPAC] synonym: "propionic acid" RELATED [] synonym: "Propionsaeure" RELATED [ChEBI] synonym: "propoic acid" RELATED [ChEBI] synonym: "pseudoacetic acid" RELATED [ChemIDplus] xref: Beilstein:506071 {source="Beilstein"} xref: CAS:79-09-4 {source="KEGG COMPOUND"} xref: CAS:79-09-4 {source="NIST Chemistry WebBook"} xref: CAS:79-09-4 {source="ChemIDplus"} xref: DrugBank:DB03766 xref: Gmelin:1821 {source="Gmelin"} xref: KEGG:C00163 xref: KEGG:D02310 xref: LIPID_MAPS_instance:LMFA01010003 {source="LIPID MAPS"} xref: PDBeChem:PPI xref: PMID:15868474 {source="Europe PMC"} xref: PMID:1628870 {source="Europe PMC"} xref: PMID:16763906 {source="Europe PMC"} xref: PPDB:1341 is_a: CHEBI:26607 ! saturated fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XBDQKXXYIPTUBI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.07850" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.03678" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCC(O)=O" xsd:string [Term] id: CHEBI:30769 name: citric acid namespace: chebi_ontology alt_id: CHEBI:23322 alt_id: CHEBI:3727 alt_id: CHEBI:41523 def: "A tricarboxylic acid that is propane-1,2,3-tricarboxylic acid bearing a hydroxy substituent at position 2. It is an important metabolite in the pathway of all aerobic organisms." [] subset: 3_STAR synonym: "2-Hydroxy-1,2,3-propanetricarboxylic acid" RELATED [KEGG_COMPOUND] synonym: "2-hydroxypropane-1,2,3-tricarboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2-Hydroxytricarballylic acid" RELATED [KEGG_COMPOUND] synonym: "3-Carboxy-3-hydroxypentane-1,5-dioic acid" RELATED [HMDB] synonym: "CITRIC ACID" EXACT [PDBeChem] synonym: "Citric acid" EXACT [KEGG_COMPOUND] synonym: "Citronensaeure" RELATED [ChEBI] synonym: "E330" RELATED [ChEBI] synonym: "H3cit" RELATED [IUPAC] xref: Beilstein:782061 {source="Beilstein"} xref: BPDB:1359 xref: CAS:77-92-9 {source="ChemIDplus"} xref: CAS:77-92-9 {source="NIST Chemistry WebBook"} xref: CAS:77-92-9 {source="KEGG COMPOUND"} xref: Drug_Central:666 {source="DrugCentral"} xref: DrugBank:DB04272 xref: Gmelin:4240 {source="Gmelin"} xref: HMDB:HMDB0000094 xref: KEGG:C00158 xref: KEGG:D00037 xref: KNApSAcK:C00007619 xref: MetaCyc:CIT xref: PDBeChem:CIT xref: PMID:11762832 {source="Europe PMC"} xref: PMID:11782123 {source="Europe PMC"} xref: PMID:11857437 {source="Europe PMC"} xref: PMID:14537820 {source="Europe PMC"} xref: PMID:15311880 {source="Europe PMC"} xref: PMID:15934243 {source="Europe PMC"} xref: PMID:16232627 {source="Europe PMC"} xref: PMID:17190852 {source="Europe PMC"} xref: PMID:17357118 {source="Europe PMC"} xref: PMID:17604395 {source="Europe PMC"} xref: PMID:18298573 {source="Europe PMC"} xref: PMID:18960216 {source="Europe PMC"} xref: PMID:19288211 {source="Europe PMC"} xref: PMID:22115968 {source="Europe PMC"} xref: PMID:22192423 {source="Europe PMC"} xref: PMID:22264346 {source="Europe PMC"} xref: PMID:22373571 {source="Europe PMC"} xref: PMID:22509852 {source="Europe PMC"} xref: Reaxys:782061 {source="Reaxys"} xref: Wikipedia:Citric_Acid is_a: CHEBI:64709 ! organic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H8O7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KRKNYBCHXYNGOX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "192.123" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "192.02700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)CC(O)(CC(O)=O)C(O)=O" xsd:string [Term] id: CHEBI:30778 name: gallic acid namespace: chebi_ontology alt_id: CHEBI:24180 alt_id: CHEBI:5268 def: "A trihydroxybenzoic acid in which the hydroxy groups are at positions 3, 4, and 5." [] subset: 3_STAR synonym: "3,4,5-Trihydroxybenzoic acid" RELATED [KEGG_COMPOUND] synonym: "3,4,5-trihydroxybenzoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "3,4,5-trihydroxybenzoic acid" RELATED [ChEBI] synonym: "Gallic acid" EXACT [KEGG_COMPOUND] synonym: "Pyrogallol-5-carboxylic acid" RELATED [KEGG_COMPOUND] xref: Beilstein:2050274 {source="Beilstein"} xref: CAS:149-91-7 {source="ChemIDplus"} xref: CAS:149-91-7 {source="NIST Chemistry WebBook"} xref: CAS:149-91-7 {source="KEGG COMPOUND"} xref: Gmelin:27336 {source="Gmelin"} xref: HMDB:HMDB0005807 xref: KEGG:C01424 xref: KNApSAcK:C00002647 xref: LINCS:LSM-37191 xref: MetaCyc:CPD-183 xref: PMID:11032918 {source="Europe PMC"} xref: PMID:14598907 {source="Europe PMC"} xref: PMID:17426744 {source="Europe PMC"} xref: PMID:18314336 {source="Europe PMC"} xref: PMID:19812218 {source="Europe PMC"} xref: PMID:20441561 {source="Europe PMC"} xref: PMID:21805983 {source="Europe PMC"} xref: PMID:24010549 {source="Europe PMC"} xref: PMID:24342507 {source="Europe PMC"} xref: Reaxys:2050274 {source="Reaxys"} xref: Wikipedia:Gallic_acid is_a: CHEBI:166890 ! phenolic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H6O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LNTHITQWFMADLM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "170.11954" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "170.02152" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)c1cc(O)c(O)c(O)c1" xsd:string [Term] id: CHEBI:30794 name: malonic acid namespace: chebi_ontology alt_id: CHEBI:25132 alt_id: CHEBI:44060 alt_id: CHEBI:6660 def: "An alpha,omega-dicarboxylic acid in which the two carboxy groups are separated by a single methylene group." [] subset: 3_STAR synonym: "H2malo" RELATED [IUPAC] synonym: "HOOC-CH2-COOH" RELATED [IUPAC] synonym: "MALONIC ACID" EXACT [PDBeChem] synonym: "Malonic acid" EXACT [KEGG_COMPOUND] synonym: "Propanedioic acid" RELATED [KEGG_COMPOUND] synonym: "propanedioic acid" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1751370 {source="Beilstein"} xref: CAS:141-82-2 {source="NIST Chemistry WebBook"} xref: CAS:141-82-2 {source="ChemIDplus"} xref: CAS:141-82-2 {source="KEGG COMPOUND"} xref: DrugBank:DB02175 xref: Gmelin:2550 {source="Gmelin"} xref: HMDB:HMDB0000691 xref: KEGG:C00383 xref: KNApSAcK:C00001193 xref: LIPID_MAPS_instance:LMFA01170041 {source="LIPID MAPS"} xref: MetaCyc:MALONATE xref: PDBeChem:MLA xref: PMID:22770225 {source="Europe PMC"} xref: Reaxys:1751370 {source="Reaxys"} xref: Wikipedia:Malonic_acid is_a: CHEBI:64709 ! organic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H4O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OFOBLEOULBTSOW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "104.06146" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "104.01096" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)CC(O)=O" xsd:string [Term] id: CHEBI:30805 name: dodecanoic acid namespace: chebi_ontology alt_id: CHEBI:23864 alt_id: CHEBI:23865 alt_id: CHEBI:41882 alt_id: CHEBI:4680 def: "A straight-chain, twelve-carbon medium-chain saturated fatty acid with strong bactericidal properties; the main fatty acid in coconut oil and palm kernel oil." [] subset: 3_STAR synonym: "1-undecanecarboxylic acid" RELATED [DrugBank] synonym: "ABL" RELATED [DrugBank] synonym: "C12 fatty acid" RELATED [DrugBank] synonym: "C12:0" RELATED [ChEBI] synonym: "CH3-[CH2]10-COOH" RELATED [IUPAC] synonym: "Coconut oil fatty acids" RELATED [DrugBank] synonym: "DAO" RELATED [DrugBank] synonym: "Dodecanoic acid" EXACT [KEGG_COMPOUND] synonym: "dodecanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "dodecoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Dodecylcarboxylate" RELATED [KEGG_COMPOUND] synonym: "Dodecylic acid" RELATED [DrugBank] synonym: "Duodecyclic acid" RELATED [DrugBank] synonym: "Duodecylic acid" RELATED [DrugBank] synonym: "LAURIC ACID" RELATED [PDBeChem] synonym: "Lauric acid" RELATED [KEGG_COMPOUND] synonym: "lauric acid" RELATED [ChEBI] synonym: "lauric acid" RELATED [] synonym: "Laurinsaeure" RELATED [DrugBank] synonym: "Laurinsaeure" RELATED [ChEBI] synonym: "Laurostearic acid" RELATED [DrugBank] synonym: "N-dodecanoic acid" RELATED [DrugBank] synonym: "n-dodecanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Undecane-1-carboxylic acid" RELATED [DrugBank] synonym: "Vulvic acid" RELATED [DrugBank] xref: Beilstein:1099477 {source="Beilstein"} xref: CAS:143-07-7 {source="ChemIDplus"} xref: CAS:143-07-7 {source="NIST Chemistry WebBook"} xref: CAS:143-07-7 {source="KEGG COMPOUND"} xref: Drug_Central:4642 {source="DrugCentral"} xref: DrugBank:DB03017 xref: Gmelin:103520 {source="Gmelin"} xref: HMDB:HMDB0000638 xref: KEGG:C02679 xref: KNApSAcK:C00001221 xref: LIPID_MAPS_instance:LMFA01010012 {source="LIPID MAPS"} xref: MetaCyc:DODECANOATE xref: PDBeChem:DAO xref: PMID:19387482 {source="Europe PMC"} xref: PMID:26884207 {source="Europe PMC"} xref: Reaxys:1099477 {source="Reaxys"} xref: UM-BBD_compID:c0566 {source="UM-BBD"} xref: Wikipedia:Lauric_acid is_a: CHEBI:26607 ! saturated fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H24O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "POULHZVOKOAJMA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "200.31780" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "200.17763" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCCCCC(O)=O" xsd:string [Term] id: CHEBI:30816 name: vanillic acid namespace: chebi_ontology alt_id: CHEBI:27278 alt_id: CHEBI:9933 def: "A monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methoxy group at position 3." [] subset: 3_STAR synonym: "4-Hydroxy-3-methoxybenzoic acid" RELATED [KEGG_COMPOUND] synonym: "4-hydroxy-3-methoxybenzoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Vanillic acid" EXACT [KEGG_COMPOUND] xref: Beilstein:2208364 {source="Beilstein"} xref: CAS:121-34-6 {source="KEGG COMPOUND"} xref: CAS:121-34-6 {source="NIST Chemistry WebBook"} xref: CAS:121-34-6 {source="ChemIDplus"} xref: DrugBank:DB02130 xref: Gmelin:1472811 {source="Gmelin"} xref: HMDB:HMDB0000484 xref: KEGG:C06672 xref: KNApSAcK:C00002682 xref: PDBeChem:VNL xref: PMID:20482617 {source="Europe PMC"} xref: PMID:24078147 {source="Europe PMC"} xref: PMID:24314059 {source="Europe PMC"} xref: YMDB:YMDB01802 is_a: CHEBI:166890 ! phenolic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H8O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WKOLLVMJNQIZCI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "168.14672" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "168.04226" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cc(ccc1O)C(O)=O" xsd:string [Term] id: CHEBI:30887 name: isocitric acid namespace: chebi_ontology alt_id: CHEBI:24886 alt_id: CHEBI:5998 def: "A tricarboxylic acid that is propan-1-ol with a hydrogen at each of the 3 carbon positions replaced by a carboxy group." [] subset: 3_STAR synonym: "1-Hydroxypropane-1,2,3-tricarboxylic acid" RELATED [KEGG_COMPOUND] synonym: "1-hydroxypropane-1,2,3-tricarboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "1-Hydroxytricarballylic acid" RELATED [KEGG_COMPOUND] synonym: "3-carboxy-2,3-dideoxypentaric acid" EXACT IUPAC_NAME [IUPAC] synonym: "Isocitric acid" EXACT [KEGG_COMPOUND] xref: Beilstein:1727945 {source="Beilstein"} xref: CAS:320-77-4 {source="KEGG COMPOUND"} xref: CAS:320-77-4 {source="ChemIDplus"} xref: DrugBank:DB01727 xref: ECMDB:ECMDB04088 xref: HMDB:HMDB0000193 xref: KEGG:C00311 xref: KNApSAcK:C00001188 xref: MetaCyc:Isocitrate xref: PMID:17439666 {source="Europe PMC"} xref: PMID:23989918 {source="Europe PMC"} xref: PMID:24702026 {source="Europe PMC"} xref: Reaxys:1727945 {source="Reaxys"} xref: Wikipedia:Isocitric_acid xref: YMDB:YMDB00026 is_a: CHEBI:64709 ! organic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H8O7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ODBLHEXUDAPZAU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "192.12352" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "192.02700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(C(CC(O)=O)C(O)=O)C(O)=O" xsd:string [Term] id: CHEBI:30911 name: glucitol namespace: chebi_ontology alt_id: CHEBI:15093 alt_id: CHEBI:26724 alt_id: CHEBI:26726 alt_id: CHEBI:33795 alt_id: CHEBI:33796 alt_id: CHEBI:9201 subset: 3_STAR synonym: "glucitol" EXACT IUPAC_NAME [IUPAC] synonym: "gulitol" RELATED [ChEBI] synonym: "rel-(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol" RELATED [IUPAC] synonym: "Sorbitol" RELATED [KEGG_COMPOUND] synonym: "sorbitol" RELATED [] xref: Beilstein:1721909 {source="Beilstein"} xref: Gmelin:83165 {source="Gmelin"} xref: Wikipedia:Sorbitol is_a: CHEBI:26191 ! polyol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H14O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "182.172" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "182.07904" xsd:string [Term] id: CHEBI:31018 name: (+)-gallocatechin namespace: chebi_ontology def: "A gallocatechin that has (2R,3S)-configuration. It is found in green tea and bananas." [] subset: 3_STAR synonym: "(+)-gallocatechol" RELATED [ChEBI] synonym: "(2R,3S)-(+)-gallocatechin" RELATED [ChEBI] synonym: "(2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol" EXACT IUPAC_NAME [IUPAC] synonym: "(2R,3S)-flavan-3,3',4',5,5',7-hexol" RELATED [ChEBI] synonym: "(2R,3S)-flavan-3,5,7,3',4',5'-hexol" RELATED [ChEBI] synonym: "(2R,3S)-gallocatechin" RELATED [ChEBI] synonym: "gallocatechin" RELATED [ChEBI] xref: CAS:970-73-0 {source="ChemIDplus"} xref: CAS:970-73-0 {source="KEGG COMPOUND"} xref: Chemspider:58594 xref: KEGG:C12127 xref: KNApSAcK:C00008817 xref: PMID:22430120 {source="Europe PMC"} xref: PMID:9741297 {source="Europe PMC"} xref: Reaxys:94058 {source="Reaxys"} is_a: CHEBI:23053 ! catechin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H14O7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XMOCLSLCDHWDHP-SWLSCSKDSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "306.26750" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "306.07395" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1" xsd:string [Term] id: CHEBI:31227 name: apigenin 7-O-neohesperidoside namespace: chebi_ontology def: "An apigenin derivative having an alpha-(1->2)-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety attached to the 7-hydroxy group." [] subset: 3_STAR synonym: "5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one" RELATED [ChemIDplus] synonym: "Apigenin 7-O-neohesperidoside" EXACT [KEGG_COMPOUND] synonym: "Apigenin-7-O-rhamnoglucoside" RELATED [ChemIDplus] synonym: "Rhoifolin" RELATED [KEGG_COMPOUND] synonym: "rhoifolin" RELATED [] synonym: "Rhoifoloside" RELATED [KEGG_COMPOUND] xref: Beilstein:73879 {source="Beilstein"} xref: CAS:17306-46-6 {source="KEGG DRUG"} xref: CAS:17306-46-6 {source="ChemIDplus"} xref: CAS:17306-46-6 {source="KEGG COMPOUND"} xref: HMDB:HMDB0038848 xref: KEGG:C12627 xref: KNApSAcK:C00004157 xref: LINCS:LSM-20984 xref: MetaCyc:APIGENIN-7-O-NEOHESPERIDOSIDE xref: PMID:15631081 {source="Europe PMC"} xref: PMID:15974126 {source="Europe PMC"} xref: PMID:19771866 {source="Europe PMC"} xref: PMID:20222420 {source="Europe PMC"} xref: Reaxys:73879 {source="Reaxys"} xref: Wikipedia:Rhoifolin is_a: CHEBI:42491 ! flavone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H30O14" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C27H30O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RPMNUQRUHXIGHK-PYXJVEIZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "578.51870" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "578.16356" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H]1O[C@@H](O[C@H]2[C@@H](O[C@H](CO)[C@@H](O)[C@@H]2O)Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:31336 name: calcium glycerophosphate namespace: chebi_ontology def: "An organic calcium salt having glycerol 2-phosphate(2-) as the counterion." [] subset: 3_STAR synonym: "1,2,3-Propanetriol, mono(dihydrogen phosphate) calcium salt" RELATED [ChemIDplus] synonym: "1,2,3-Propanetriol, mono(dihydrogen phosphate), calcium salt" RELATED [ChemIDplus] synonym: "beta-glycerophosphoric acid calcium salt" RELATED [ChEBI] synonym: "calcium 1,3-dihydroxypropan-2-yl phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "Calcium beta-glycerophosphate" RELATED [KEGG_COMPOUND] synonym: "calcium beta-glycerophosphate" RELATED [ChEBI] synonym: "Calcium Glycerophosphate" EXACT [KEGG_COMPOUND] xref: CAS:27214-00-2 {source="ChemIDplus"} xref: CAS:27214-00-2 {source="KEGG COMPOUND"} xref: KEGG:C12935 xref: KEGG:D01488 xref: Reaxys:3744916 {source="Reaxys"} is_a: CHEBI:51031 ! organic calcium salt property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H7CaO6P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H9O6P.Ca/c4-1-3(2-5)9-10(6,7)8;/h3-5H,1-2H2,(H2,6,7,8);/q;+2/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UHHRFSOMMCWGSO-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "210.13600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "209.96062" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ca++].OCC(CO)OP([O-])([O-])=O" xsd:string [Term] id: CHEBI:31342 name: Calcium hypochlorite name: calcium hypochlorite namespace: chebi_ontology subset: 2_STAR synonym: "bleaching powder" RELATED [ChEBI] synonym: "Calcium hypochlorite" EXACT [KEGG_COMPOUND] synonym: "Chlorinated lime" RELATED [KEGG_COMPOUND] xref: CAS:7778-54-3 {source="KEGG COMPOUND"} xref: KEGG:D01727 is_a: CHEBI:190295 ! inorganic calcium salt property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "2ClO.Ca" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CaCl2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ca.2ClO/c;2*1-2/q+2;2*-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZKQDCIXGCQPQNV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "142.983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "141.89013" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cl[O-].[Ca+2].Cl[O-]" xsd:string [Term] id: CHEBI:31346 name: calcium sulfate namespace: chebi_ontology subset: 3_STAR synonym: "anhydrous gypsum" RELATED [NIST_Chemistry_WebBook] synonym: "Calcium sulfate" EXACT [KEGG_COMPOUND] synonym: "calcium sulfate" EXACT IUPAC_NAME [IUPAC] synonym: "calcium sulfate, anhydrous" RELATED [NIST_Chemistry_WebBook] synonym: "calcium sulphate" RELATED [ChEBI] synonym: "CaSO4" RELATED [IUPAC] synonym: "Kalziumsulfat" RELATED [ChEBI] xref: CAS:7778-18-9 {source="ChemIDplus"} xref: CAS:7778-18-9 {source="KEGG COMPOUND"} xref: CAS:7778-18-9 {source="NIST Chemistry WebBook"} xref: KEGG:C13194 xref: KEGG:D09201 is_a: CHEBI:190295 ! inorganic calcium salt is_a: CHEBI:24840 ! inorganic sulfate salt property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CaO4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O4S.Ca" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ca.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OSGAYBCDTDRGGQ-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "136.14160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "135.91432" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ca++].[O-]S([O-])(=O)=O" xsd:string [Term] id: CHEBI:31463 name: delphinidin 3-O-beta-D-glucoside name: delphinidin 3-O-β-D-glucoside namespace: chebi_ontology def: "An anthocyanin cation consisting of delphinidin having a beta-D-glucosyl residue attached at the 3-hydroxy position." [] subset: 3_STAR synonym: "5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-3-yl beta-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "delfinidin 3-O-beta-D-glucoside" RELATED [ChEBI] synonym: "Delphinidin 3-glucoside" RELATED [KEGG_COMPOUND] synonym: "Delphinidin 3-O-beta-D-glucoside" EXACT [KEGG_COMPOUND] synonym: "delphinidin 3-O-beta-D-glucoside" RELATED [] synonym: "Delphinidin 3-O-glucoside" RELATED [KEGG_COMPOUND] xref: Beilstein:1695888 {source="Beilstein"} xref: CAS:50986-17-9 {source="KEGG COMPOUND"} xref: HMDB:HMDB0037997 xref: KEGG:C12138 xref: KNApSAcK:C00006698 xref: LIPID_MAPS_instance:LMPK12010278 {source="LIPID MAPS"} xref: PMID:24493900 {source="Europe PMC"} xref: Reaxys:1695888 {source="Reaxys"} xref: Wikipedia:Delphinidin-3-O-glucoside is_a: CHEBI:22798 ! beta-D-glucoside property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H21O12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p+1/t15-,17-,18+,19-,21-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XENHPQQLDPAYIJ-PEVLUNPASA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "465.38420" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "465.10275" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O" xsd:string [Term] id: CHEBI:31604 name: ferric ammonium citrate namespace: chebi_ontology def: "A mixture of indefinite composition that contains ferric and ammonium cations and citrate(3-) anions, ferric ammonium citrate may be obtained as red crystals or a brownish yellow powder or as green crystals or powder. It is added to foods as an acidity regulator and anticaking agent. It is also used as a positive oral contrast agent in magnetic resonance imaging, and was formerly administered orally as a source of iron for the treatment of iron-deficiency anaemia." [] subset: 3_STAR synonym: "ammonium ferric citrate" RELATED [ChemIDplus] synonym: "ammonium iron(III) citrate" RELATED [ChEBI] synonym: "E381" RELATED [ChEBI] synonym: "FerriSeltz" RELATED BRAND_NAME [KEGG_DRUG] synonym: "iron ammonium citrate" EXACT [] xref: AGR:IND21975024 {source="Europe PMC"} xref: CAS:1185-57-5 {source="ChemIDplus"} xref: DrugBank:DB09501 xref: FooDB:FDB014633 xref: KEGG:D01644 xref: MetaCyc:CPD-19639 xref: PMID:10394873 {source="Europe PMC"} xref: PMID:11050639 {source="Europe PMC"} xref: PMID:12460440 {source="Europe PMC"} xref: PMID:15009675 {source="Europe PMC"} xref: PMID:16182396 {source="Europe PMC"} xref: PMID:17478951 {source="Europe PMC"} xref: PMID:18509218 {source="Europe PMC"} xref: PMID:18849857 {source="Europe PMC"} xref: PMID:25006066 {source="Europe PMC"} xref: PMID:25721887 {source="Europe PMC"} xref: PMID:26224043 {source="Europe PMC"} xref: PMID:27898902 {source="Europe PMC"} xref: PMID:28578696 {source="Europe PMC"} xref: PMID:29619244 {source="Europe PMC"} xref: PMID:29890135 {source="Europe PMC"} xref: PMID:31521986 {source="Europe PMC"} xref: PMID:31850663 {source="Europe PMC"} xref: PMID:32587797 {source="Europe PMC"} xref: PMID:32871372 {source="Europe PMC"} xref: PMID:33532991 {source="Europe PMC"} xref: PMID:33746607 {source="Europe PMC"} xref: PMID:33791276 {source="Europe PMC"} xref: PMID:8626911 {source="Europe PMC"} xref: PMID:9657901 {source="Europe PMC"} xref: PMID:9847611 {source="Europe PMC"} xref: Reaxys:14508930 {source="Reaxys"} xref: Wikipedia:Ammonium_ferric_citrate is_a: CHEBI:190517 ! organic iron compound [Term] id: CHEBI:3168 name: brassicasterol namespace: chebi_ontology def: "An 3beta-sterol that is (22E)-ergosta-5,22-diene substituted by a hydroxy group at position 3beta. It is a phytosterol found in marine algae, fish, and rapeseed oil." [] subset: 3_STAR synonym: "(22E)-ergosta-5,22-dien-3beta-ol" EXACT IUPAC_NAME [IUPAC] synonym: "(22E,24R)-24-methylcholesta-5,22-dien-3beta-ol" RELATED [ChEBI] synonym: "(3beta,22E)-ergosta-5,22-dien-3-ol" RELATED [ChEBI] synonym: "24(R)-methylcholesta-5,22E-dien-3beta-ol" RELATED [HMDB] synonym: "24-methyl cholest-5,22-dien-3beta-ol" RELATED [ChEBI] synonym: "brassicasterin" RELATED [NIST_Chemistry_WebBook] synonym: "brassicasterol" EXACT [UniProt] synonym: "ergosta-5,22(E)-dien-3beta-ol" RELATED [ChemIDplus] synonym: "ergosta-5,22E-dien-3beta-ol" RELATED [HMDB] xref: CAS:474-67-9 {source="NIST Chemistry WebBook"} xref: CAS:474-67-9 {source="ChemIDplus"} xref: CAS:474-67-9 {source="KEGG COMPOUND"} xref: FooDB:FDB012496 xref: HMDB:HMDB0011181 xref: KEGG:C08813 xref: KNApSAcK:C00003646 xref: LIPID_MAPS_instance:LMST01030098 {source="LIPID MAPS"} xref: MetaCyc:CPD-4161 xref: PMID:11319028 {source="Europe PMC"} xref: PMID:12162789 {source="Europe PMC"} xref: PMID:15489546 {source="Europe PMC"} xref: PMID:21585343 {source="Europe PMC"} xref: PMID:29397797 {source="Europe PMC"} xref: PMID:30259993 {source="Europe PMC"} xref: PMID:30390455 {source="Europe PMC"} xref: PMID:30853340 {source="Europe PMC"} xref: PMID:30857717 {source="Europe PMC"} xref: PMID:31255261 {source="Europe PMC"} xref: PMID:31374906 {source="Europe PMC"} xref: Wikipedia:Brassicasterol is_a: CHEBI:26125 ! phytosterol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C28H46O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22-,23-,24+,25-,26-,27-,28+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OILXMJHPFNGGTO-ZAUYPBDWSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "398.675" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "398.35487" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[C@@]12([C@]3([C@@]([C@@]4(C(C[C@@H](O)CC4)=CC3)C)(CC[C@@]1([C@@]([C@@H](/C=C/[C@@H](C(C)C)C)C)(CC2)[H])C)[H])[H])[H]" xsd:string [Term] id: CHEBI:31793 name: magnesium carbonate namespace: chebi_ontology def: "A magnesium salt with formula CMgO3. Its hydrated forms, particularly the di-, tri-, and tetrahydrates occur as minerals." [] subset: 3_STAR synonym: "Magnesium carbonate" EXACT [KEGG_COMPOUND] synonym: "magnesium carbonate" EXACT IUPAC_NAME [IUPAC] synonym: "Magnesium carbonate anhydrous" RELATED [KEGG_COMPOUND] synonym: "Magnesiumkarbonat" RELATED [ChEBI] synonym: "MgCO3" RELATED [IUPAC] xref: CAS:546-93-0 {source="KEGG COMPOUND"} xref: CAS:546-93-0 {source="NIST Chemistry WebBook"} xref: CAS:546-93-0 {source="ChemIDplus"} xref: KEGG:C12893 xref: Wikipedia:Magnesium_Carbonate is_a: CHEBI:190299 ! organic magnesium salt property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CMgO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CO3.Mg" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2O3.Mg/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZLNQQNXFFQJAID-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "84.31390" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "83.96979" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Mg++].[O-]C([O-])=O" xsd:string [Term] id: CHEBI:31799 name: malvidin 3-O-beta-D-glucoside name: malvidin 3-O-β-D-glucoside namespace: chebi_ontology def: "An anthocyanin cation consisting of malvidin having a beta-D-glucosyl residue attached at the 3-hydroxy position." [] subset: 3_STAR synonym: "5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenium-3-yl beta-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "Enin" RELATED [KEGG_COMPOUND] synonym: "malvidin 3-O-beta-D-glucoside" RELATED [] synonym: "Malvidin 3-O-glucoside" RELATED [KEGG_COMPOUND] synonym: "Malvidin-3-glucoside" RELATED [KEGG_COMPOUND] xref: CAS:18470-06-9 {source="KEGG COMPOUND"} xref: CAS:7228-78-6 {source="KEGG COMPOUND"} xref: HMDB:HMDB0030777 xref: KEGG:C12140 xref: KNApSAcK:C00006735 xref: LIPID_MAPS_instance:LMPK12010372 {source="LIPID MAPS"} xref: Reaxys:1696096 {source="Reaxys"} is_a: CHEBI:22798 ! beta-D-glucoside property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C23H25O12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19-,20+,21-,23-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PXUQTDZNOHRWLI-OXUVVOBNSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "493.43740" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "493.13405" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cc(cc(OC)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:31968 name: pelargonidin 3-O-rutinoside namespace: chebi_ontology def: "An anthocyanin cation consisting of pelargonidin having a rutinosyl [6-deoxy-alpha-L-mannosyl-(1->6)-beta-D-glucosyl] residue attached at the 3-hydroxy position." [] subset: 3_STAR synonym: "5,7-dihydroxy-2-(4-hydroxyphenyl)chromenium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "Pelargonidin 3-O-rutinoside" EXACT [KEGG_COMPOUND] xref: KEGG:C12644 xref: KNApSAcK:C00006639 is_a: CHEBI:38695 ! anthocyanidin property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H31O14" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C27H30O14/c1-10-19(31)21(33)23(35)26(38-10)37-9-18-20(32)22(34)24(36)27(41-18)40-17-8-14-15(30)6-13(29)7-16(14)39-25(17)11-2-4-12(28)5-3-11/h2-8,10,18-24,26-27,31-36H,9H2,1H3,(H2-,28,29,30)/p+1/t10-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IFYOHQQBIKDHFT-ASZXTAQUSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "579.52660" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "579.17083" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:31985 name: petunidin 3-O-beta-D-glucoside name: petunidin 3-O-β-D-glucoside namespace: chebi_ontology def: "An anthocyanin cation that is petunidin substituted at position 3 by a beta-D-glucosyl residue" [] subset: 3_STAR synonym: "2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenium-3-yl beta-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "Petunidin 3-glucoside" RELATED [KEGG_COMPOUND] synonym: "Petunidin 3-O-beta-D-glucopyranoside" RELATED [HMDB] synonym: "petunidin 3-O-beta-D-glucoside" RELATED [] xref: CAS:6988-81-4 {source="KEGG COMPOUND"} xref: HMDB:HMDB0038097 xref: KEGG:C12139 xref: KNApSAcK:C00006722 xref: LIPID_MAPS_instance:LMPK12010349 {source="LIPID MAPS"} xref: Reaxys:1613022 {source="Reaxys"} xref: Wikipedia:Petunidin-3-O-glucoside is_a: CHEBI:22798 ! beta-D-glucoside property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H23O12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H22O12/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1/t16-,18-,19+,20-,22-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CCQDWIRWKWIUKK-QKYBYQKWSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "479.41080" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "479.11840" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cc(cc(O)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:32034 name: potassium bitartrate namespace: chebi_ontology def: "An organic potassium salt of L-tartaric acid. It is a by-product of winemaking and occurs naturally in grapes, the major fruit used to produce wine." [] subset: 3_STAR synonym: "acid potassium tartrate" RELATED [ChemIDplus] synonym: "cream of tartar" RELATED [ChemIDplus] synonym: "Faccla" RELATED BRAND_NAME [ChemIDplus] synonym: "Faccula" RELATED BRAND_NAME [ChemIDplus] synonym: "Faecla" RELATED BRAND_NAME [ChemIDplus] synonym: "Faecula" RELATED BRAND_NAME [ChemIDplus] synonym: "monopotassium tartrate" RELATED [ChemIDplus] synonym: "potassium (2R,3R)-3-carboxy-2,3-dihydroxypropanoate" EXACT IUPAC_NAME [IUPAC] synonym: "potassium acid tartrate" RELATED [ChemIDplus] synonym: "potassium bitartrate" EXACT [ChemIDplus] synonym: "potassium hydrogen tartrate" RELATED [ChemIDplus] synonym: "potassium L-bitartrate" RELATED [ChemIDplus] synonym: "potassium L-tartrate" RELATED [ChemIDplus] synonym: "tartar" RELATED [ChemIDplus] synonym: "tartar cream" RELATED [ChemIDplus] synonym: "tartaric acid monopotassium salt" RELATED [ChemIDplus] xref: AGR:IND43756836 {source="Europe PMC"} xref: CAS:868-14-4 {source="ChemIDplus"} xref: DrugBank:DB11107 xref: FooDB:FDB016908 xref: KEGG:D01561 xref: PMID:22926733 {source="Europe PMC"} xref: PMID:25477685 {source="Europe PMC"} xref: PMID:27374600 {source="Europe PMC"} xref: PMID:28972743 {source="Europe PMC"} xref: PMID:31005706 {source="Europe PMC"} xref: PMID:31835564 {source="Europe PMC"} xref: PMID:32671853 {source="Europe PMC"} xref: Wikipedia:Potassium_bitartrate is_a: CHEBI:50394 ! organic potassium salt property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H5O6.K" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H6O6.K/c5-1(3(7)8)2(6)4(9)10;/h1-2,5-6H,(H,7,8)(H,9,10);/q;+1/p-1/t1-,2-;/m1./s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KYKNRZGSIGMXFH-ZVGUSBNCSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "188.176" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "187.97232" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[K+].O[C@H]([C@@H](O)C([O-])=O)C(O)=O" xsd:string [Term] id: CHEBI:32036 name: potassium sulfate namespace: chebi_ontology subset: 3_STAR synonym: "dipotassium sulfate" RELATED [ChemIDplus] synonym: "K2SO4" RELATED [IUPAC] synonym: "Kaliumsulfat" RELATED [ChEBI] synonym: "Potassium sulfate" EXACT [KEGG_COMPOUND] synonym: "potassium sulfate" EXACT IUPAC_NAME [IUPAC] synonym: "potassium sulphate" RELATED [ChEBI] xref: CAS:7778-80-5 {source="ChemIDplus"} xref: CAS:7778-80-5 {source="NIST Chemistry WebBook"} xref: CAS:7778-80-5 {source="KEGG COMPOUND"} xref: KEGG:C13192 xref: KEGG:D01726 is_a: CHEBI:190303 ! inorganic potassium salt is_a: CHEBI:24840 ! inorganic sulfate salt property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "K2O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O4S.2K" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2K.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OTYBMLCTZGSZBG-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "174.26020" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "173.87914" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[K+].[K+].[O-]S([O-])(=O)=O" xsd:string [Term] id: CHEBI:32139 name: sodium hydrogencarbonate namespace: chebi_ontology subset: 3_STAR synonym: "baking soda" RELATED [ChemIDplus] synonym: "bicarbonate of soda" RELATED [ChemIDplus] synonym: "carbonic acid monosodium salt" RELATED [ChemIDplus] synonym: "E 500" RELATED [ChEBI] synonym: "E-500" RELATED [ChEBI] synonym: "E500" RELATED [ChEBI] synonym: "NaHCO3" RELATED [IUPAC] synonym: "Natriumhydrogenkarbonat" RELATED [ChemIDplus] synonym: "sodium acid carbonate" RELATED [ChemIDplus] synonym: "Sodium bicarbonate" RELATED [KEGG_COMPOUND] synonym: "sodium bicarbonate" EXACT [] synonym: "sodium hydrogen carbonate" RELATED [ChemIDplus] synonym: "Sodium hydrogencarbonate" EXACT [KEGG_COMPOUND] synonym: "sodium hydrogencarbonate" EXACT IUPAC_NAME [IUPAC] xref: CAS:144-55-8 {source="ChemIDplus"} xref: CAS:144-55-8 {source="KEGG COMPOUND"} xref: DrugBank:DB01390 xref: KEGG:C12603 xref: KEGG:D01203 xref: PPDB:2873 xref: Wikipedia:Sodium_Bicarbonate is_a: CHEBI:38702 ! inorganic sodium salt property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHNaO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHO3.Na" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2O3.Na/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UIIMBOGNXHQVGW-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "84.00660" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "83.98234" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].OC([O-])=O" xsd:string [Term] id: CHEBI:32145 name: sodium hydroxide namespace: chebi_ontology subset: 3_STAR synonym: "Aetznatron" RELATED [ChEBI] synonym: "caustic soda" RELATED [NIST_Chemistry_WebBook] synonym: "hydroxyde de sodium" RELATED [NIST_Chemistry_WebBook] synonym: "NaOH" RELATED [IUPAC] synonym: "Natriumhydroxid" RELATED [NIST_Chemistry_WebBook] synonym: "soda lye" RELATED [NIST_Chemistry_WebBook] synonym: "sodium hydrate" RELATED [NIST_Chemistry_WebBook] synonym: "Sodium hydroxide" EXACT [KEGG_COMPOUND] synonym: "sodium hydroxide" EXACT IUPAC_NAME [IUPAC] synonym: "soude caustique" RELATED [ChEBI] xref: CAS:1310-73-2 {source="NIST Chemistry WebBook"} xref: CAS:1310-73-2 {source="KEGG COMPOUND"} xref: CAS:1310-73-2 {source="ChemIDplus"} xref: Gmelin:68430 {source="Gmelin"} xref: KEGG:C12569 xref: KEGG:D01169 is_a: CHEBI:38702 ! inorganic sodium salt property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "HNaO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Na.H2O/h;1H2/q+1;/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HEMHJVSKTPXQMS-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "39.99711" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "39.99251" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[OH-].[Na+]" xsd:string [Term] id: CHEBI:32149 name: sodium sulfate namespace: chebi_ontology subset: 3_STAR synonym: "disodium sulfate" RELATED [NIST_Chemistry_WebBook] synonym: "disodium sulphate" RELATED [NIST_Chemistry_WebBook] synonym: "Na2SO4" RELATED [IUPAC] synonym: "Natriumsulfat" RELATED [NIST_Chemistry_WebBook] synonym: "salt cake" RELATED [NIST_Chemistry_WebBook] synonym: "Sodium sulfate" EXACT [KEGG_COMPOUND] synonym: "sodium sulfate" EXACT IUPAC_NAME [IUPAC] synonym: "sodium sulfate, anhydrous" RELATED [NIST_Chemistry_WebBook] synonym: "sodium sulphate" RELATED [NIST_Chemistry_WebBook] xref: CAS:7757-82-6 {source="ChemIDplus"} xref: CAS:7757-82-6 {source="KEGG COMPOUND"} xref: CAS:7757-82-6 {source="NIST Chemistry WebBook"} xref: KEGG:C13199 xref: KEGG:D01732 is_a: CHEBI:24840 ! inorganic sulfate salt is_a: CHEBI:38702 ! inorganic sodium salt property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Na2O4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "O4S.2Na" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2Na.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PMZURENOXWZQFD-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "142.04314" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "141.93127" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[Na+].[O-]S([O-])(=O)=O" xsd:string [Term] id: CHEBI:32365 name: heptadecanoic acid namespace: chebi_ontology def: "A C17 saturated fatty acid and trace component of fats in ruminants." [] subset: 3_STAR synonym: "17:0" RELATED [ChEBI] synonym: "C17:0" RELATED [ChEBI] synonym: "CH3-[CH2]15-COOH" RELATED [IUPAC] synonym: "heptadecanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "heptadecoic acid" RELATED [ChEBI] synonym: "heptadecylic acid" RELATED [ChEBI] synonym: "margaric acid" RELATED [ChemIDplus] synonym: "margarinic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Margarinsaeure" RELATED [ChEBI] synonym: "n-heptadecanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "n-heptadecoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "n-heptadecylic acid" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1781004 {source="Beilstein"} xref: CAS:506-12-7 {source="NIST Chemistry WebBook"} xref: CAS:506-12-7 {source="ChemIDplus"} xref: Gmelin:253195 {source="Gmelin"} xref: HMDB:HMDB0002259 xref: KNApSAcK:C00007426 xref: LIPID_MAPS_instance:LMFA01010017 {source="LIPID MAPS"} xref: MetaCyc:CPD-7830 xref: PMID:13269382 {source="Europe PMC"} xref: PMID:13400103 {source="Europe PMC"} xref: PMID:13403863 {source="Europe PMC"} xref: PMID:17439666 {source="Europe PMC"} xref: PMID:24708591 {source="Europe PMC"} xref: Reaxys:1781004 {source="Reaxys"} xref: Wikipedia:Heptadecanoic_acid is_a: CHEBI:26607 ! saturated fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H34O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KEMQGTRYUADPNZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "270.45066" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "270.25588" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCCCCCCCCCC(O)=O" xsd:string [Term] id: CHEBI:3237 name: butein namespace: chebi_ontology def: "A chalcone that is (E)-chalcone bearing four additional hydroxy substituents at positions 2', 3, 4 and 4'." [] subset: 3_STAR synonym: "(2E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propen-1-one" RELATED [ChEBI] synonym: "(2E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one" EXACT IUPAC_NAME [IUPAC] synonym: "(E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one" EXACT IUPAC_NAME [IUPAC] synonym: "(E)-2',3,4,4'-terahydroxychalcone" RELATED [ChEBI] synonym: "2',3,4,4'-Tetrahydroxychalcone" RELATED [ChemIDplus] synonym: "2',4',3,4-tetrahydroxychalcone" RELATED [MetaCyc] synonym: "3,4,2',4'-Tetrahydroxychalcone" RELATED [ChemIDplus] synonym: "Butein" EXACT [KEGG_COMPOUND] xref: CAS:487-52-5 {source="KEGG COMPOUND"} xref: CAS:487-52-5 {source="ChemIDplus"} xref: Chemspider:4444634 xref: FooDB:FDB000082 xref: KEGG:C08578 xref: KNApSAcK:C00006941 xref: LINCS:LSM-42896 xref: LIPID_MAPS_instance:LMPK12120111 {source="LIPID MAPS"} xref: MetaCyc:BUTEIN xref: PDBeChem:BUN xref: PMID:12939617 {source="Europe PMC"} xref: PMID:19643530 {source="Europe PMC"} xref: PMID:20515942 {source="Europe PMC"} xref: PMID:20681544 {source="Europe PMC"} xref: PMID:20696233 {source="Europe PMC"} xref: PMID:20826149 {source="Europe PMC"} xref: PMID:21131551 {source="Europe PMC"} xref: PMID:21170936 {source="Europe PMC"} xref: PMID:21212525 {source="Europe PMC"} xref: PMID:21770460 {source="Europe PMC"} xref: PMID:21964506 {source="Europe PMC"} xref: PMID:22114764 {source="Europe PMC"} xref: PMID:22155143 {source="Europe PMC"} xref: PMID:22180353 {source="Europe PMC"} xref: PMID:22185775 {source="Europe PMC"} xref: PMID:22245810 {source="Europe PMC"} xref: PMID:26081470 {source="Europe PMC"} xref: PMID:29258953 {source="Europe PMC"} xref: PMID:30344763 {source="Europe PMC"} xref: PMID:31665136 {source="Europe PMC"} xref: PMID:32033283 {source="Europe PMC"} xref: PMID:32181410 {source="Europe PMC"} xref: PMID:32325749 {source="Europe PMC"} xref: PMID:32642916 {source="Europe PMC"} xref: PMID:32663368 {source="Europe PMC"} xref: PMID:33209079 {source="Europe PMC"} xref: PMID:33294263 {source="Europe PMC"} xref: PMID:33325610 {source="Europe PMC"} xref: PMID:34271434 {source="Europe PMC"} xref: PMID:34481015 {source="Europe PMC"} xref: Reaxys:2056928 {source="Reaxys"} xref: Wikipedia:Butein is_a: CHEBI:23086 ! chalcone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H12O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AYMYWHCQALZEGT-ORCRQEGFSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "272.256" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "272.06847" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC1=CC(O)=C(C=C1)C(=O)\\C=C\\C1=CC(O)=C(O)C=C1" xsd:string [Term] id: CHEBI:32389 name: all-cis-octadeca-6,9,12,15-tetraenoic acid namespace: chebi_ontology def: "An octadecatetraenoic acid having four double bonds located at positions 6, 9, 12 and 15 (the all-cis-isomer). It has been isolated from Lithospermum officinale and fish oils." [] subset: 3_STAR synonym: "(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(6Z,9Z,12Z,15Z)-Octadecatetraenoic acid" RELATED [KEGG_COMPOUND] synonym: "6,9,12,15-Octadecatetraenoic acid" RELATED [KEGG_COMPOUND] synonym: "SDA" RELATED [ChEBI] synonym: "stearidonic acid" RELATED [] synonym: "stearidonic acid" RELATED [ChEBI] xref: Beilstein:1712973 {source="Beilstein"} xref: CAS:20290-75-9 {source="ChemIDplus"} xref: CAS:20290-75-9 {source="KEGG COMPOUND"} xref: HMDB:HMDB0006547 xref: KEGG:C16300 xref: KNApSAcK:C00000405 xref: LIPID_MAPS_instance:LMFA01030357 {source="LIPID MAPS"} xref: MetaCyc:CPD-12653 xref: Patent:CA2827585 xref: Patent:KR20130045846 xref: PMID:23932357 {source="Europe PMC"} xref: PMID:24553695 {source="Europe PMC"} xref: Reaxys:1712973 {source="Reaxys"} xref: Wikipedia:Stearidonic_acid is_a: CHEBI:25681 ! ω−3 fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H28O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JIWBIWFOSCKQMA-LTKCOYKYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "276.41370" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "276.20893" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC\\C=C/C\\C=C/C\\C=C/C\\C=C/CCCCC(O)=O" xsd:string [Term] id: CHEBI:32425 name: (11Z)-icos-11-enoic acid namespace: chebi_ontology def: "An icosenoic acid having a cis- double bond at position 11." [] subset: 3_STAR synonym: "(11Z)-Eicosenoic acid" RELATED [KEGG_COMPOUND] synonym: "(11Z)-icos-11-enoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(11Z)-Icosenoic acid" RELATED [KEGG_COMPOUND] synonym: "(Z)-eicos-11-enoic acid" RELATED [ChEBI] synonym: "(Z)-icos-11-enoic acid" RELATED [ChEBI] synonym: "(Z)-Icosa-11-enoic acid" RELATED [KEGG_COMPOUND] synonym: "11-Eicosenoic acid" RELATED [KEGG_COMPOUND] synonym: "11-Icosenoic acid" RELATED [KEGG_COMPOUND] synonym: "20:1" RELATED [ChEBI] synonym: "cis-11-eicosenoic acid" RELATED [ChEBI] synonym: "cis-Delta(11)-eicosenoic acid" RELATED [ChEBI] synonym: "cis-gondoic acid" RELATED [ChEBI] synonym: "Eicosenoic acid" RELATED [KEGG_COMPOUND] synonym: "gondoic acid" RELATED [] synonym: "gondoic acid" RELATED [ChEBI] synonym: "Z-Delta(11)-Eicosensaeure" RELATED [ChEBI] xref: Beilstein:1727313 {source="Beilstein"} xref: HMDB:HMDB0002231 xref: KEGG:C16526 xref: KNApSAcK:C00035628 xref: LIPID_MAPS_instance:LMFA01030085 {source="LIPID MAPS"} xref: PMID:11929276 {source="Europe PMC"} xref: PMID:14667942 {source="Europe PMC"} xref: PMID:16581239 {source="Europe PMC"} xref: Reaxys:1727313 {source="Reaxys"} is_a: CHEBI:25413 ! monounsaturated fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H38O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H,21,22)/b10-9-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BITHHVVYSMSWAG-KTKRTIGZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "310.522" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "310.28718" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(=O)(CCCCCCCCC/C=C\\CCCCCCCC)O" xsd:string [Term] id: CHEBI:32588 name: potassium chloride namespace: chebi_ontology def: "A metal chloride salt with a K(+) counterion." [] subset: 3_STAR synonym: "[KCl]" RELATED [MolBase] synonym: "Kaliumchlorid" RELATED [ChEBI] synonym: "Kaon-Cl 10" RELATED BRAND_NAME [KEGG_DRUG] synonym: "KCl" RELATED [IUPAC] synonym: "Klor-con" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Klotrix" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Monopotassium chloride" RELATED [DrugBank] synonym: "muriate of potash" RELATED [NIST_Chemistry_WebBook] synonym: "potassium chloride" EXACT IUPAC_NAME [IUPAC] synonym: "sylvite" RELATED [ChEBI] xref: CAS:7447-40-7 {source="NIST Chemistry WebBook"} xref: CAS:7447-40-7 {source="ChemIDplus"} xref: DrugBank:DB00761 xref: KEGG:D02060 xref: MetaCyc:KCL xref: MolBase:881 xref: Reaxys:3534978 {source="Reaxys"} xref: Wikipedia:Potassium_Chloride is_a: CHEBI:190303 ! inorganic potassium salt is_a: CHEBI:36093 ! inorganic chloride property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "ClK" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClH.K/h1H;/q;+1/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WCUXLLCKKVVCTQ-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.55100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "73.93256" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cl-].[K+]" xsd:string [Term] id: CHEBI:32599 name: magnesium sulfate namespace: chebi_ontology def: "A magnesium salt having sulfate as the counterion." [] subset: 3_STAR synonym: "magnesium sulfate" EXACT IUPAC_NAME [IUPAC] synonym: "Magnesium sulfate (1:1)" RELATED [ChemIDplus] synonym: "magnesium sulfate anhydrous" RELATED [ChemIDplus] synonym: "magnesium sulphate" RELATED [NIST_Chemistry_WebBook] synonym: "magnesium(II) sulfate" RELATED [NIST_Chemistry_WebBook] synonym: "Magnesiumsulfat" RELATED [ChEBI] synonym: "MgSO4" RELATED [IUPAC] synonym: "sulfuric acid magnesium salt" RELATED [NIST_Chemistry_WebBook] synonym: "sulphate of magnesia" RELATED [ChEBI] xref: CAS:7487-88-9 {source="NIST Chemistry WebBook"} xref: CAS:7487-88-9 {source="ChemIDplus"} xref: DrugBank:DB00653 xref: PMID:10723972 {source="Europe PMC"} xref: PMID:11251702 {source="Europe PMC"} xref: PMID:15357561 {source="Europe PMC"} xref: PMID:19805935 {source="Europe PMC"} xref: PMID:31092073 {source="Europe PMC"} xref: PMID:31412352 {source="Europe PMC"} xref: PMID:32063925 {source="Europe PMC"} xref: PMID:32256123 {source="Europe PMC"} xref: PMID:8991630 {source="Europe PMC"} xref: Reaxys:4208125 {source="Reaxys"} is_a: CHEBI:24840 ! inorganic sulfate salt property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "MgO4S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CSNNHWWHGAXBCP-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "120.36860" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "119.93677" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Mg++].[O-]S([O-])(=O)=O" xsd:string [Term] id: CHEBI:32816 name: pyruvic acid namespace: chebi_ontology alt_id: CHEBI:26466 alt_id: CHEBI:45253 alt_id: CHEBI:8685 def: "A 2-oxo monocarboxylic acid that is the 2-keto derivative of propionic acid. It is a metabolite obtained during glycolysis." [] subset: 3_STAR synonym: "2-ketopropionic acid" RELATED [ChemIDplus] synonym: "2-Oxopropanoic acid" RELATED [KEGG_COMPOUND] synonym: "2-oxopropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2-oxopropanoic acid" RELATED [ChEBI] synonym: "2-Oxopropansaeure" RELATED [ChemIDplus] synonym: "2-Oxopropionsaeure" RELATED [ChemIDplus] synonym: "Acetylformic acid" RELATED [HMDB] synonym: "acetylformic acid" RELATED [NIST_Chemistry_WebBook] synonym: "acide pyruvique" RELATED [ChEBI] synonym: "alpha-ketopropionic acid" RELATED [NIST_Chemistry_WebBook] synonym: "alpha-Oxopropionsaeure" RELATED [ChemIDplus] synonym: "Brenztraubensaeure" RELATED [ChEBI] synonym: "BTS" RELATED [ChemIDplus] synonym: "CH3COCOOH" RELATED [NIST_Chemistry_WebBook] synonym: "Pyroracemic acid" RELATED [KEGG_COMPOUND] synonym: "PYRUVIC ACID" EXACT [PDBeChem] synonym: "Pyruvic acid" EXACT [KEGG_COMPOUND] synonym: "pyruvic acid" EXACT [ChEBI] xref: Beilstein:506211 {source="Beilstein"} xref: CAS:127-17-3 {source="ChemIDplus"} xref: CAS:127-17-3 {source="NIST Chemistry WebBook"} xref: DrugBank:DB00119 xref: ECMDB:ECMDB00243 xref: Gmelin:101087 {source="Gmelin"} xref: HMDB:HMDB0000243 xref: KEGG:C00022 xref: KNApSAcK:C00001200 xref: LIPID_MAPS_instance:LMFA01060077 {source="LIPID MAPS"} xref: MetaCyc:PYRUVATE xref: PDBeChem:PYR xref: PMID:11762589 {source="Europe PMC"} xref: PMID:19260671 {source="Europe PMC"} xref: PMID:22150460 {source="Europe PMC"} xref: PMID:22233273 {source="Europe PMC"} xref: PMID:22735334 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: Reaxys:506211 {source="Reaxys"} xref: Wikipedia:Pyruvic_acid xref: YMDB:YMDB00175 is_a: CHEBI:64709 ! organic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H4O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LCTONWCANYUPML-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "88.06206" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "88.01604" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=O)C(O)=O" xsd:string [Term] id: CHEBI:33004 name: vanadium(2+) namespace: chebi_ontology subset: 3_STAR synonym: "V(2+)" RELATED [IUPAC] synonym: "vanadium(2+)" EXACT IUPAC_NAME [IUPAC] synonym: "vanadium(2+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "vanadium(2+), ion" RELATED [ChemIDplus] synonym: "vanadium(II) cation" EXACT IUPAC_NAME [IUPAC] xref: CAS:15121-26-3 {source="ChemIDplus"} xref: Gmelin:6864 {source="Gmelin"} is_a: CDNO:0000012 ! trace element property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "V" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/V/q+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BLSRSXLJVJVBIK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "50.94150" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "50.94286" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[V++]" xsd:string [Term] id: CHEBI:33006 name: chromium(2+) namespace: chebi_ontology subset: 3_STAR synonym: "chromium(2+)" EXACT IUPAC_NAME [IUPAC] synonym: "chromium(2+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "chromium(II) cation" EXACT IUPAC_NAME [IUPAC] synonym: "chromous ion" RELATED [ChemIDplus] synonym: "Cr(2+)" RELATED [IUPAC] xref: CAS:22541-79-3 {source="ChemIDplus"} xref: Gmelin:6854 {source="Gmelin"} is_a: CDNO:0000022 ! dietary chromium property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Cr" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Cr/q+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UZEDIBTVIIJELN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "51.99610" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "51.93941" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cr++]" xsd:string [Term] id: CHEBI:3311 name: calcium carbonate namespace: chebi_ontology def: "A calcium salt with formula CCaO3." [] subset: 3_STAR synonym: "CaCO3" RELATED [IUPAC] synonym: "Calcium carbonate" EXACT [KEGG_COMPOUND] synonym: "calcium carbonate" EXACT IUPAC_NAME [IUPAC] synonym: "calcium carbonate (1:1)" RELATED [ChemIDplus] synonym: "calcium trioxidocarbonate" EXACT IUPAC_NAME [IUPAC] synonym: "Calciumcarbonat" RELATED [ChEBI] synonym: "carbonate de calcium" RELATED [ChEBI] synonym: "carbonato de calcio" RELATED [ChEBI] synonym: "carbonic acid calcium salt (1:1)" RELATED [ChemIDplus] synonym: "E 170" RELATED [ChEBI] synonym: "Kalziumkarbonat" RELATED [ChEBI] synonym: "kohlensaurer Kalk" RELATED [ChEBI] synonym: "Precipitated calcium carbonate" RELATED [KEGG_COMPOUND] xref: BPDB:108 xref: CAS:471-34-1 {source="ChemIDplus"} xref: CAS:471-34-1 {source="NIST Chemistry WebBook"} xref: CAS:471-34-1 {source="KEGG COMPOUND"} xref: DrugBank:DB06724 xref: KEGG:C08129 xref: KEGG:D00932 xref: PPDB:108 xref: Reaxys:8008338 {source="Reaxys"} xref: Wikipedia:Calcium_carbonate is_a: CHEBI:190295 ! inorganic calcium salt property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CCaO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CO3.Ca" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2O3.Ca/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VTYYLEPIZMXCLO-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "100.087" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "99.94733" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ca+2].C(=O)([O-])[O-]" xsd:string [Term] id: CHEBI:3312 name: calcium dichloride namespace: chebi_ontology subset: 3_STAR synonym: "[CaCl2]" RELATED [MolBase] synonym: "CaCl2" RELATED [IUPAC] synonym: "calcium chloride" EXACT IUPAC_NAME [IUPAC] synonym: "Calcium chloride anhydrous" RELATED [KEGG_COMPOUND] synonym: "calcium chloride anhydrous" RELATED [ChemIDplus] synonym: "calcium dichloride" EXACT IUPAC_NAME [IUPAC] xref: AGR:IND607339542 {source="Europe PMC"} xref: CAS:10043-52-4 {source="NIST Chemistry WebBook"} xref: CAS:10043-52-4 {source="ChemIDplus"} xref: CAS:10043-52-4 {source="KEGG COMPOUND"} xref: DrugBank:DB01164 xref: FooDB:FDB015404 xref: HMDB:HMDB0303526 xref: KEGG:C08130 xref: MetaCyc:CPD0-1589 xref: MolBase:1869 xref: PMID:11057678 {source="Europe PMC"} xref: PMID:13333715 {source="Europe PMC"} xref: PMID:32018153 {source="Europe PMC"} xref: PMID:32441097 {source="Europe PMC"} xref: PMID:34618995 {source="Europe PMC"} xref: PMID:34981086 {source="Europe PMC"} xref: PMID:35159430 {source="Europe PMC"} xref: PMID:35159592 {source="Europe PMC"} xref: PMID:35200459 {source="Europe PMC"} xref: PMID:35260323 {source="Europe PMC"} xref: PPDB:109 xref: Wikipedia:Calcium_Chloride is_a: CHEBI:190295 ! inorganic calcium salt is_a: CHEBI:36093 ! inorganic chloride property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CaCl2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UXVMQQNJUSDDNG-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "110.98340" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "109.90030" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cl-].[Cl-].[Ca++]" xsd:string [Term] id: CHEBI:33192 name: sodium cyanide namespace: chebi_ontology def: "A cyanide salt containing equal numbers of sodium cations and cyanide anions." [] subset: 3_STAR synonym: "cyanide of sodium" RELATED [NIST_Chemistry_WebBook] synonym: "NaCN" RELATED [IUPAC] synonym: "Natriumcyanid" RELATED [ChEBI] synonym: "Natriumzyanid" RELATED [ChEBI] synonym: "sodium cyanide" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3587243 {source="ChemIDplus"} xref: CAS:143-33-9 {source="ChemIDplus"} xref: CAS:143-33-9 {source="NIST Chemistry WebBook"} xref: CAS:143-33-9 {source="KEGG COMPOUND"} xref: Gmelin:1041163 {source="Gmelin"} xref: KEGG:C18673 xref: PMID:12782041 {source="Europe PMC"} xref: PMID:19831452 {source="Europe PMC"} xref: PMID:22710495 {source="Europe PMC"} xref: PMID:25895263 {source="Europe PMC"} is_a: CHEBI:38702 ! inorganic sodium salt property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CNNa" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CN.Na/c1-2;/q-1;+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MNWBNISUBARLIT-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "49.007" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "48.99284" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[C-]#N.[Na+]" xsd:string [Term] id: CHEBI:33234 name: vitamin E namespace: chebi_ontology def: "Any member of a group of fat-soluble chromanols that exhibit biological activity against vitamin E deficiency. The vitamers in this class consists of a chroman-6-ol core which is substituted at position 2 by a methyl group and (also at position 2) either a saturated or a triply-unsaturated hydrocarbon chain consisting of three isoprenoid units. The major function of vitamin E is to act as a natural antioxidant by scavenging free radicals and molecular oxygen." [] subset: 3_STAR synonym: "vitamin E" EXACT [ChemIDplus] synonym: "vitamin E vitamer" RELATED [ChEBI] synonym: "vitamin E vitamers" RELATED [ChEBI] synonym: "vitamin-E" RELATED [ChEBI] synonym: "vitamins E" RELATED [ChEBI] xref: MetaCyc:Vitamin-E xref: PMID:33684201 {source="Europe PMC"} xref: PMID:33847203 {source="Europe PMC"} xref: PMID:33896432 {source="Europe PMC"} xref: PMID:34277234 {source="Europe PMC"} xref: PMID:34278890 {source="Europe PMC"} xref: PMID:7898412 {source="Europe PMC"} xref: PMID:7901680 {source="Europe PMC"} xref: Wikipedia:Vitamin_E is_a: CDNO:0000014 ! vitamin (molecular entity) [Term] id: CHEBI:33235 name: tocotrienol namespace: chebi_ontology def: "A tocol in which the hydrocarbon chain at position 2 contains three double bonds." [] subset: 3_STAR synonym: "tocotrienol" EXACT [ChemIDplus] synonym: "tocotrienols" RELATED [ChEBI] xref: CAS:6829-55-6 {source="ChemIDplus"} xref: PMID:15671205 {source="Europe PMC"} xref: PMID:18997413 {source="Europe PMC"} xref: Reaxys:19981754 {source="Reaxys"} xref: Wikipedia:Tocotrienol is_a: CHEBI:33234 ! vitamin E [Term] id: CHEBI:33237 name: vitamin D4 namespace: chebi_ontology def: "It is present in mushrooms." [] subset: 3_STAR synonym: "(24S)-methylcalciol" RELATED [JCBN] synonym: "(3beta,5Z,7E)-9,10-secoergosta-5,7,10(19)-trien-3-ol" RELATED [ChEBI] synonym: "(3S)-9,10-seco-5Z,7E,10(19)-ergostatrien-3-ol" RELATED [LIPID_MAPS] synonym: "(3S,5Z,7E)-9,10-secoergosta-5,7,10(19)-trien-3-ol" EXACT IUPAC_NAME [IUPAC] synonym: "(5Z,7E)-(3S)-9,10-Seco-5,7,10(19)-ergostatrien-3-ol" RELATED [KEGG_COMPOUND] synonym: "(5Z,7E)-(3S)-9,10-secoergosta-5,7,10(19)-trien-3-ol" RELATED [JCBN] synonym: "22,23-dihydroercalciol" RELATED [JCBN] synonym: "22,23-dihydroergocalciferol" RELATED [JCBN] synonym: "22-Dihydroergocalciferol" RELATED [KEGG_COMPOUND] synonym: "24S-methylcalciol" RELATED [ChemIDplus] synonym: "Vitamin D4" EXACT [ChemIDplus] synonym: "vitamin D4" EXACT [ChemIDplus] xref: AGR:IND601134157 {source="Europe PMC"} xref: AGR:IND605677191 {source="Europe PMC"} xref: Beilstein:3221782 {source="Beilstein"} xref: CAS:511-28-4 {source="ChemIDplus"} xref: Chemspider:4574179 xref: KEGG:C18192 xref: LIPID_MAPS_instance:LMST03030001 {source="LIPID MAPS"} xref: PMID:22870201 {source="Europe PMC"} xref: PMID:24295670 {source="Europe PMC"} xref: PMID:24494050 {source="Europe PMC"} xref: PMID:27323764 {source="Europe PMC"} xref: PMID:34181690 {source="Europe PMC"} xref: Wikipedia:22-Dihydroergocalciferol is_a: CHEBI:27300 ! vitamin D property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C28H46O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h12-13,19-20,22,25-27,29H,4,7-11,14-18H2,1-3,5-6H3/b23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DIPPFEXMRDPFBK-JPWDPSJFSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "398.66424" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "398.35487" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CC[C@H](C)C(C)C" xsd:string [Term] id: CHEBI:33261 name: organosulfur compound namespace: chebi_ontology alt_id: CHEBI:23010 alt_id: CHEBI:25714 def: "An organosulfur compound is a compound containing at least one carbon-sulfur bond." [] subset: 3_STAR synonym: "organosulfur compound" EXACT [ChEBI] synonym: "organosulfur compounds" RELATED [ChEBI] xref: Wikipedia:Organosulfur_compounds is_a: CDNO:0000021 ! dietary sulfur [Term] id: CHEBI:33270 name: alpha-tocotrienol name: α-tocotrienol namespace: chebi_ontology alt_id: CHEBI:35062 def: "A tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2, 5, 7 and 8 and a farnesyl chain at position 2. It has been found in palm oil derived from Elaeis guineensis." [] subset: 3_STAR synonym: "(2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-ol" RELATED [IUPAC] synonym: "(2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-tocotrienol" EXACT [] synonym: "alpha-tocotrienol" EXACT [KEGG_COMPOUND] synonym: "alpha-tocotrienol" EXACT [UniProt] synonym: "alpha-tocotrienol" EXACT [ChemIDplus] synonym: "alpha-tocotrienol" EXACT [LIPID_MAPS] synonym: "zeta1-tocopherol" RELATED [LIPID_MAPS] synonym: "zeta1-tocopherol" RELATED [ChemIDplus] xref: Beilstein:45723 {source="Beilstein"} xref: Beilstein:5484296 {source="Beilstein"} xref: CAS:1721-51-3 {source="KEGG COMPOUND"} xref: CAS:1721-51-3 {source="ChemIDplus"} xref: Chemspider:4445512 xref: FooDB:FDB002434 xref: HMDB:HMDB0006327 xref: KEGG:C14153 xref: KNApSAcK:C00035044 xref: LIPID_MAPS_instance:LMPR02020054 {source="LIPID MAPS"} xref: MetaCyc:CPD-15836 xref: Patent:EP2362875 xref: Patent:US2010105930 xref: Patent:WO2010051277 xref: PMCID:PMC7259054 {source="Europe PMC"} xref: PMID:11160563 {source="Europe PMC"} xref: PMID:12030315 {source="Europe PMC"} xref: PMID:12521598 {source="Europe PMC"} xref: PMID:12524170 {source="Europe PMC"} xref: PMID:12566479 {source="Europe PMC"} xref: PMID:12739983 {source="Europe PMC"} xref: PMID:12788481 {source="Europe PMC"} xref: PMID:15527824 {source="Europe PMC"} xref: PMID:16166580 {source="Europe PMC"} xref: PMID:16257640 {source="Europe PMC"} xref: PMID:16616508 {source="Europe PMC"} xref: PMID:16771695 {source="Europe PMC"} xref: PMID:16923160 {source="Europe PMC"} xref: PMID:17331802 {source="Europe PMC"} xref: PMID:20028458 {source="Europe PMC"} xref: PMID:20823491 {source="Europe PMC"} xref: PMID:22013739 {source="Europe PMC"} xref: PMID:22252050 {source="Europe PMC"} xref: PMID:24013375 {source="Europe PMC"} xref: PMID:30110365 {source="Europe PMC"} xref: PMID:31905614 {source="Europe PMC"} xref: PMID:7808307 {source="Europe PMC"} xref: Reaxys:5484296 {source="Reaxys"} xref: Wikipedia:Alpha-Tocotrienol is_a: CHEBI:33235 ! tocotrienol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C29H44O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C29H44O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h12,14,16,30H,9-11,13,15,17-19H2,1-8H3/b21-14+,22-16+/t29-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RZFHLOLGZPDCHJ-XZXLULOTSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "424.65846" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "424.33413" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)=CCC\\C(C)=C\\CC\\C(C)=C\\CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1" xsd:string [Term] id: CHEBI:33275 name: beta-tocotrienol name: β-tocotrienol namespace: chebi_ontology alt_id: CHEBI:35070 def: "A tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2, 5 and 8 and a farnesyl chain at position 2. It has been isolated from various cultivars of wheat." [] subset: 3_STAR synonym: "(2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-ol" RELATED [IUPAC] synonym: "(2R)-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol" EXACT IUPAC_NAME [IUPAC] synonym: "(2R)-3,4-dihydro-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-2H-1-benzopyran-6-ol" RELATED [ChemIDplus] synonym: "beta-tocotrienol" EXACT [ChemIDplus] synonym: "beta-tocotrienol" EXACT [] synonym: "beta-tocotrienol" EXACT [KEGG_COMPOUND] synonym: "beta-tocotrienol" EXACT [UniProt] synonym: "epsilon-tocopherol" RELATED [ChemIDplus] xref: AGR:IND44045372 {source="Europe PMC"} xref: AGR:IND607266641 {source="Europe PMC"} xref: Beilstein:43513 {source="Beilstein"} xref: CAS:490-23-3 {source="ChemIDplus"} xref: CAS:490-23-3 {source="KEGG COMPOUND"} xref: Chemspider:4445513 xref: FooDB:FDB002433 xref: HMDB:HMDB0030554 xref: KEGG:C14154 xref: KNApSAcK:C00035060 xref: LIPID_MAPS_instance:LMPR02020055 {source="LIPID MAPS"} xref: MetaCyc:CPD-15837 xref: Patent:CN101842488 xref: Patent:EP1948808 xref: Patent:EP2198029 xref: Patent:MX2010003631 xref: Patent:US2007021497 xref: Patent:US2011113503 xref: PMID:11902929 {source="Europe PMC"} xref: PMID:14747214 {source="Europe PMC"} xref: PMID:18921970 {source="Europe PMC"} xref: PMID:20413888 {source="Europe PMC"} xref: PMID:32283796 {source="Europe PMC"} xref: Reaxys:43513 {source="Reaxys"} xref: Wikipedia:Beta-Tocotrienol is_a: CHEBI:33235 ! tocotrienol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C28H42O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FGYKUFVNYVMTAM-WAZJVIJMSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "410.63188" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "410.31848" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)=CCC\\C(C)=C\\CC\\C(C)=C\\CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1" xsd:string [Term] id: CHEBI:33276 name: delta-tocotrienol name: δ-tocotrienol namespace: chebi_ontology alt_id: CHEBI:35081 def: "A tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2 and 8 and a farnesyl chain at position 2." [] subset: 3_STAR synonym: "(2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-ol" RELATED [IUPAC] synonym: "(2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol" EXACT IUPAC_NAME [IUPAC] synonym: "delta-tocotrienol" EXACT [] synonym: "delta-tocotrienol" EXACT [UniProt] synonym: "delta-tocotrienol" EXACT [ChemIDplus] synonym: "delta-tocotrienol" EXACT [KEGG_COMPOUND] xref: Beilstein:5449575 {source="Beilstein"} xref: CAS:25612-59-3 {source="NIST Chemistry WebBook"} xref: CAS:25612-59-3 {source="ChemIDplus"} xref: Chemspider:4445515 xref: FooDB:FDB001299 xref: HMDB:HMDB0030008 xref: KEGG:C14156 xref: KNApSAcK:C00035077 xref: LIPID_MAPS_instance:LMPR02020056 {source="LIPID MAPS"} xref: MetaCyc:CPD-15839 xref: Patent:WO2009126866 xref: PMCID:PMC8181054 {source="Europe PMC"} xref: PMID:21598300 {source="Europe PMC"} xref: PMID:22816285 {source="Europe PMC"} xref: PMID:24294967 {source="Europe PMC"} xref: PMID:24486300 {source="Europe PMC"} xref: PMID:25225850 {source="Europe PMC"} xref: PMID:25480449 {source="Europe PMC"} xref: PMID:25534439 {source="Europe PMC"} xref: PMID:25815474 {source="Europe PMC"} xref: PMID:28825992 {source="Europe PMC"} xref: PMID:29491063 {source="Europe PMC"} xref: PMID:29749323 {source="Europe PMC"} xref: PMID:30100736 {source="Europe PMC"} xref: PMID:30639384 {source="Europe PMC"} xref: PMID:30871192 {source="Europe PMC"} xref: PMID:30940630 {source="Europe PMC"} xref: PMID:31141912 {source="Europe PMC"} xref: PMID:32580548 {source="Europe PMC"} xref: PMID:32629979 {source="Europe PMC"} xref: PMID:32932619 {source="Europe PMC"} xref: PMID:32951743 {source="Europe PMC"} xref: PMID:33143330 {source="Europe PMC"} xref: PMID:33347911 {source="Europe PMC"} xref: PMID:33899292 {source="Europe PMC"} xref: Reaxys:5449575 {source="Reaxys"} is_a: CHEBI:33235 ! tocotrienol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H40O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C27H40O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h10,12,14,18-19,28H,7-9,11,13,15-17H2,1-6H3/b21-12+,22-14+/t27-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ODADKLYLWWCHNB-LDYBVBFYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "396.60530" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "396.30283" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)=CCC\\C(C)=C\\CC\\C(C)=C\\CC[C@]1(C)CCc2cc(O)cc(C)c2O1" xsd:string [Term] id: CHEBI:33277 name: gamma-tocotrienol name: γ-tocotrienol namespace: chebi_ontology alt_id: CHEBI:35082 def: "A tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2, 7 and 8 and a farnesyl chain at position 2. A vitamin E family member that has potent anti-cancer properties against a wide-range of cancers." [] subset: 3_STAR synonym: "(2R)-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-ol" RELATED [IUPAC] synonym: "(2R)-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol" EXACT IUPAC_NAME [IUPAC] synonym: "gamma-tocotrienol" EXACT [] synonym: "gamma-tocotrienol" EXACT [UniProt] synonym: "gamma-tocotrienol" EXACT [KEGG_COMPOUND] xref: Beilstein:43525 {source="Beilstein"} xref: Beilstein:5483919 {source="Beilstein"} xref: CAS:14101-61-2 {source="NIST Chemistry WebBook"} xref: CAS:14101-61-2 {source="ChemIDplus"} xref: Chemspider:4445514 xref: FooDB:FDB001298 xref: HMDB:HMDB0012958 xref: KEGG:C14155 xref: KNApSAcK:C00035101 xref: LIPID_MAPS_instance:LMPR02020057 {source="LIPID MAPS"} xref: MetaCyc:CPD-15838 xref: PMCID:PMC8308567 {source="Europe PMC"} xref: PMID:19195866 {source="Europe PMC"} xref: PMID:19557601 {source="Europe PMC"} xref: PMID:21429729 {source="Europe PMC"} xref: PMID:23341695 {source="Europe PMC"} xref: PMID:24959559 {source="Europe PMC"} xref: PMID:25423021 {source="Europe PMC"} xref: PMID:26930378 {source="Europe PMC"} xref: PMID:27128741 {source="Europe PMC"} xref: PMID:27356050 {source="Europe PMC"} xref: PMID:27864002 {source="Europe PMC"} xref: PMID:27869747 {source="Europe PMC"} xref: PMID:29283379 {source="Europe PMC"} xref: PMID:29642403 {source="Europe PMC"} xref: PMID:29787425 {source="Europe PMC"} xref: PMID:29957361 {source="Europe PMC"} xref: PMID:30070965 {source="Europe PMC"} xref: PMID:30183139 {source="Europe PMC"} xref: PMID:30497457 {source="Europe PMC"} xref: PMID:30845647 {source="Europe PMC"} xref: PMID:30866453 {source="Europe PMC"} xref: PMID:30901461 {source="Europe PMC"} xref: PMID:31414341 {source="Europe PMC"} xref: PMID:31877708 {source="Europe PMC"} xref: PMID:32283796 {source="Europe PMC"} xref: PMID:33343356 {source="Europe PMC"} xref: PMID:33847203 {source="Europe PMC"} xref: Reaxys:5483919 {source="Reaxys"} xref: Wikipedia:Gamma-Tocotrienol is_a: CHEBI:33235 ! tocotrienol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C28H42O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OTXNTMVVOOBZCV-WAZJVIJMSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "410.63188" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "410.31848" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)=CCC\\C(C)=C\\CC\\C(C)=C\\CC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1" xsd:string [Term] id: CHEBI:33279 name: vitamin D5 namespace: chebi_ontology def: "A vitamin D in which the side-chain at position 17 consists of a (5R)-5-ethyl-6-methylheptan-2-yl group." [] subset: 3_STAR synonym: "(1S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,4R)-4-Ethyl-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylenecyclohexanol" RELATED [ChEBI] synonym: "(3beta,5Z,7E)-9,10-secostigmasta-5,7,10(19)-trien-3-ol" RELATED [ChemIDplus] synonym: "(3S,5Z,7E)-9,10-secostigmasta-5,7,10-trien-3-ol" EXACT IUPAC_NAME [IUPAC] synonym: "(5Z,7E)-9,10-Secostigmasta-5,7,10(19)-trien-3beta-ol" RELATED [KEGG_COMPOUND] synonym: "(5Z,7E)-9,10-secostigmasta-5,7,10(19)-trien-3beta-ol" RELATED [ChEBI] synonym: "24R-methylcalciol" RELATED [ChemIDplus] synonym: "sitocalciferol" RELATED [ChEBI] xref: Beilstein:5616721 {source="Beilstein"} xref: CAS:71761-06-3 {source="KEGG COMPOUND"} xref: CAS:71761-06-3 {source="ChemIDplus"} xref: Chemspider:8085275 xref: FooDB:FDB020368 xref: HMDB:HMDB0040586 xref: KEGG:C18193 xref: PMID:16259866 {source="Europe PMC"} xref: PMID:232394 {source="Europe PMC"} xref: Reaxys:10217937 {source="Reaxys"} xref: Wikipedia:Vitamin_D5 is_a: CHEBI:27300 ! vitamin D property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C29H48O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C29H48O/c1-7-23(20(2)3)12-10-22(5)27-16-17-28-24(9-8-18-29(27,28)6)13-14-25-19-26(30)15-11-21(25)4/h13-14,20,22-23,26-28,30H,4,7-12,15-19H2,1-3,5-6H3/b24-13+,25-14-/t22-,23-,26+,27-,28+,29-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RMDJVOZETBHEAR-LQYWTLTGSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "412.69082" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "412.37052" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CC[C@@H](CC)C(C)C" xsd:string [Term] id: CHEBI:33468 name: phosphide name: phosphide(3-) namespace: chebi_ontology subset: 3_STAR synonym: "P(-)" RELATED [IUPAC] synonym: "phosphanetriide" EXACT IUPAC_NAME [IUPAC] synonym: "phosphide" RELATED [ChemIDplus] synonym: "phosphide(3-)" EXACT IUPAC_NAME [IUPAC] xref: CAS:22569-71-7 {source="ChemIDplus"} xref: Gmelin:16414 {source="Gmelin"} is_a: CDNO:0000018 ! dietary phosphorus property_value: http://purl.obolibrary.org/obo/chebi/charge "-3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "P" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/P/q-3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FZTWZIMSKAGPSB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "30.97376" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "30.97541" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[P-3]" xsd:string [Term] id: CHEBI:33563 name: glycolipid namespace: chebi_ontology alt_id: CHEBI:24393 alt_id: CHEBI:5476 def: "Any member of class of 1,2-di-O-acylglycerols joined at oxygen 3 by a glycosidic linkage to a carbohydrate part (usually a mono-, di- or tri-saccharide). Some substances classified as bacterial glycolipids have the sugar part acylated by one or more fatty acids and the glycerol part may be absent." [] subset: 3_STAR synonym: "Glycolipid" EXACT [KEGG_COMPOUND] synonym: "glycolipids" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C05005 xref: Wikipedia:Glycolipids is_a: CHEBI:18059 ! lipid [Term] id: CHEBI:33709 name: amino acid namespace: chebi_ontology alt_id: CHEBI:13815 alt_id: CHEBI:22477 def: "A carboxylic acid containing one or more amino groups." [] subset: 3_STAR synonym: "amino acids" RELATED [ChEBI] synonym: "Aminocarbonsaeure" RELATED [ChEBI] synonym: "Aminokarbonsaeure" RELATED [ChEBI] synonym: "Aminosaeure" RELATED [ChEBI] xref: Wikipedia:Amino_acid is_a: CHEBI:64709 ! organic acid [Term] id: CHEBI:3374 name: capsaicin namespace: chebi_ontology subset: 3_STAR synonym: "(6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide" EXACT IUPAC_NAME [IUPAC] synonym: "(E)-8-Methyl-N-vanillyl-6-nonenamide" RELATED [ChemIDplus] synonym: "Capsaicin" EXACT [KEGG_COMPOUND] synonym: "capsaicin" EXACT [UniProt] synonym: "Isodecenoic acid vanillylamide" RELATED [ChemIDplus] synonym: "trans-8-Methyl-N-vanillyl-6-nonenamide" RELATED [ChemIDplus] synonym: "Zostrix" RELATED [KEGG_DRUG] xref: Beilstein:2816484 {source="Beilstein"} xref: BPDB:1630 xref: CAS:404-86-4 {source="ChemIDplus"} xref: CAS:404-86-4 {source="KEGG COMPOUND"} xref: Drug_Central:3064 {source="DrugCentral"} xref: KEGG:C06866 xref: KEGG:D00250 xref: Wikipedia:Capsaicin is_a: CHEBI:18059 ! lipid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H27NO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YKPUWZUDDOIDPM-SOFGYWHQSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "305.41190" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "305.19909" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cc(CNC(=O)CCCC\\C=C\\C(C)C)ccc1O" xsd:string [Term] id: CHEBI:33830 name: galacturonic acid namespace: chebi_ontology alt_id: CHEBI:24176 alt_id: CHEBI:42929 alt_id: CHEBI:5261 subset: 3_STAR synonym: "Galacturonic acid" EXACT [KEGG_COMPOUND] xref: CAS:14982-50-4 {source="KEGG COMPOUND"} xref: DrugBank:DB03511 xref: KEGG:C08348 xref: PMID:24315943 {source="Europe PMC"} is_a: CHEBI:35381 ! monosaccharide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H10O7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "194.140" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "194.04265" xsd:string [Term] id: CHEBI:33853 name: phenols namespace: chebi_ontology alt_id: CHEBI:13664 alt_id: CHEBI:13825 alt_id: CHEBI:25969 alt_id: CHEBI:2857 def: "Organic aromatic compounds having one or more hydroxy groups attached to a benzene or other arene ring." [] subset: 3_STAR synonym: "a phenol" RELATED [UniProt] synonym: "arenols" RELATED [IUPAC] synonym: "Aryl alcohol" RELATED [KEGG_COMPOUND] synonym: "phenols" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C15584 xref: MetaCyc:Phenols xref: Wikipedia:Phenols is_a: CDNO:0000013 ! plant secondary metabolite property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6HOR5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "89.072" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "89.00274" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=C(C(=C(C(=C1*)*)*)*)*)O" xsd:string [Term] id: CHEBI:33942 name: ribose namespace: chebi_ontology alt_id: CHEBI:26564 def: "Any aldopentose where the open-chain form has all the hydroxy groups on the same side in the Fischer projection. Occurrs in two enantiomeric forms, D- and L-ribose, of which only the former is found in nature." [] subset: 3_STAR synonym: "Rib" RELATED [JCBN] synonym: "ribo-pentose" EXACT IUPAC_NAME [IUPAC] synonym: "ribose" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:35381 ! monosaccharide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "150.130" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "150.05282" xsd:string [Term] id: CHEBI:33951 name: psicose namespace: chebi_ontology def: "A ketohexose that is the C-3 epimer of fructose." [] subset: 3_STAR synonym: "allulose" RELATED [ChEBI] xref: PMID:22224918 {source="Europe PMC"} xref: PMID:22569636 {source="Europe PMC"} xref: Wikipedia:Psicose is_a: CHEBI:24973 ! ketohexose property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "180.156" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "180.06339" xsd:string [Term] id: CHEBI:33984 name: fucose namespace: chebi_ontology alt_id: CHEBI:24118 alt_id: CHEBI:5182 def: "Any deoxygalactose that is deoxygenated at the 6-position." [] subset: 3_STAR synonym: "6-Deoxygalactose" RELATED [KEGG_COMPOUND] synonym: "6-deoxygalactose" EXACT IUPAC_NAME [IUPAC] synonym: "Fuc" RELATED [JCBN] synonym: "Fucose" EXACT [KEGG_COMPOUND] synonym: "fucose" EXACT IUPAC_NAME [IUPAC] xref: CAS:7724-73-4 {source="ChemIDplus"} xref: KEGG:C00382 xref: PMID:12651883 {source="Europe PMC"} is_a: CHEBI:35381 ! monosaccharide [Term] id: CHEBI:3435 name: carrageenan namespace: chebi_ontology def: "A family of sulfated polysaccharides extracted from red seaweeds. The name is derived from a common name of red algae Chondrus crispus, \"carrageen moss\" (Irish moss)." [] subset: 3_STAR synonym: "Carrageenan" EXACT [KEGG_COMPOUND] synonym: "carrageenan" EXACT [JCBN] synonym: "carrageenans" RELATED [ChEBI] synonym: "carrageenin" RELATED [ChemIDplus] synonym: "carragheanin" RELATED [ChemIDplus] synonym: "carragheenan" RELATED [ChemIDplus] synonym: "carraghenan" RELATED [ChEBI] synonym: "carraghenans" RELATED [ChEBI] xref: CAS:9000-07-1 {source="ChemIDplus"} xref: CAS:9000-07-1 {source="KEGG COMPOUND"} xref: KEGG:C08818 xref: KEGG:D03411 is_a: CDNO:0000031 ! gum [Term] id: CHEBI:34778 name: glycitein namespace: chebi_ontology alt_id: CHEBI:69442 def: "A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 6 and hydroxy groups at positions 7 and 4'. It has been isolated from the mycelia of the fungus Cordyceps sinensis." [] subset: 3_STAR synonym: "7,4'-Dihydroxy-6-methoxyisoflavone" RELATED [KEGG_COMPOUND] synonym: "7-Hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one" RELATED [ChEBI] synonym: "7-hydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4H-one" EXACT IUPAC_NAME [IUPAC] xref: CAS:40957-83-3 {source="ChemIDplus"} xref: CAS:40957-83-3 {source="KEGG COMPOUND"} xref: HMDB:HMDB0005781 xref: KEGG:C14536 xref: KNApSAcK:C00009392 xref: LIPID_MAPS_instance:LMPK12050104 {source="LIPID MAPS"} xref: MetaCyc:CPD-7027 xref: PMID:21848266 {source="Europe PMC"} xref: PMID:24499298 {source="Europe PMC"} xref: PMID:24950423 {source="Europe PMC"} xref: Reaxys:1351032 {source="Reaxys"} xref: Wikipedia:Glycitein is_a: CHEBI:38755 ! hydroxyisoflavone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H12O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DXYUAIFZCFRPTH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "284.26350" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "284.06847" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cc2c(cc1O)occ(-c1ccc(O)cc1)c2=O" xsd:string [Term] id: CHEBI:35104 name: strontium(2+) namespace: chebi_ontology alt_id: CHEBI:33514 alt_id: CHEBI:34982 alt_id: CHEBI:49891 subset: 3_STAR synonym: "Sr(2+)" RELATED [UniProt] synonym: "Sr(2+)" RELATED [IUPAC] synonym: "Sr2+" RELATED [KEGG_COMPOUND] synonym: "Strontium" RELATED [KEGG_COMPOUND] synonym: "STRONTIUM ION" RELATED [PDBeChem] synonym: "strontium(2+)" EXACT IUPAC_NAME [IUPAC] synonym: "strontium(2+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "strontium(II) cation" EXACT IUPAC_NAME [IUPAC] xref: CAS:22537-39-9 {source="ChemIDplus"} xref: CAS:22537-39-9 {source="NIST Chemistry WebBook"} xref: Gmelin:6868 {source="Gmelin"} xref: KEGG:C13884 xref: PDBeChem:SR is_a: CDNO:0000012 ! trace element property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Sr" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Sr/q+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PWYYWQHXAPXYMF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "87.62000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "87.90452" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Sr++]" xsd:string [Term] id: CHEBI:35143 name: hemoglobin namespace: chebi_ontology comment: Further classification will be integrated for this class subset: 3_STAR synonym: "haemoglobin" RELATED [ChEBI] synonym: "hemoglobin" EXACT [ChEBI] synonym: "vertebrate haemoglobin" RELATED [COMe] xref: COMe:PRX000321 is_a: CHEBI:36080 ! protein [Term] id: CHEBI:35149 name: magnesium hydroxide namespace: chebi_ontology subset: 3_STAR synonym: "magnesium hydroxides" RELATED [ChEBI] is_a: CHEBI:190297 ! inorganic magnesium salt [Term] id: CHEBI:35150 name: calcium hydroxide namespace: chebi_ontology subset: 3_STAR synonym: "calcium hydroxides" RELATED [ChEBI] is_a: CHEBI:190295 ! inorganic calcium salt [Term] id: CHEBI:35186 name: terpene namespace: chebi_ontology def: "A hydrocarbon of biological origin having carbon skeleton formally derived from isoprene [CH2=C(CH3)CH=CH2]." [] subset: 3_STAR synonym: "Terpen" RELATED [ChEBI] synonym: "terpene" EXACT [IUPAC] synonym: "terpenes" EXACT IUPAC_NAME [IUPAC] synonym: "terpenes" RELATED [IUPAC] synonym: "terpeno" RELATED [IUPAC] synonym: "terpenos" RELATED [IUPAC] is_a: CHEBI:24913 ! isoprenoid [Term] id: CHEBI:35193 name: tetraterpene namespace: chebi_ontology def: "A C40 terpene." [] subset: 3_STAR synonym: "tetraterpenes" EXACT IUPAC_NAME [IUPAC] synonym: "tetraterpenes" RELATED [IUPAC] synonym: "tetraterpeno" RELATED [IUPAC] synonym: "tetraterpenos" RELATED [IUPAC] is_a: CHEBI:35186 ! terpene [Term] id: CHEBI:3523 name: cellodextrin namespace: chebi_ontology alt_id: CHEBI:23062 def: "A dextrin of varying length (two or more glucose monomers) resulting from cellulolysis, the breakdown of cellulose." [] subset: 3_STAR synonym: "Cellodextrin" EXACT [KEGG_COMPOUND] synonym: "cellodextrins" RELATED [ChEBI] xref: KEGG:C01898 is_a: CHEBI:23652 ! dextrins property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "(C6H10O5)n.C12H22O11" xsd:string [Term] id: CHEBI:35366 name: fatty acid namespace: chebi_ontology alt_id: CHEBI:13633 alt_id: CHEBI:24024 alt_id: CHEBI:4984 def: "Any aliphatic monocarboxylic acid derived from or contained in esterified form in an animal or vegetable fat, oil or wax. Natural fatty acids commonly have a chain of 4 to 28 carbons (usually unbranched and even-numbered), which may be saturated or unsaturated. By extension, the term is sometimes used to embrace all acyclic aliphatic carboxylic acids." [] subset: 3_STAR synonym: "acide gras" RELATED [ChEBI] synonym: "acides gras" RELATED [ChemIDplus] synonym: "acido graso" RELATED [ChEBI] synonym: "acidos grasos" RELATED [ChEBI] synonym: "Fatty acid" EXACT [KEGG_COMPOUND] synonym: "fatty acids" EXACT IUPAC_NAME [IUPAC] synonym: "fatty acids" RELATED [ChEBI] synonym: "Fettsaeure" RELATED [ChEBI] synonym: "Fettsaeuren" RELATED [ChEBI] xref: KEGG:C00162 xref: PMID:14287444 {source="Europe PMC"} xref: PMID:14300208 {source="Europe PMC"} xref: PMID:14328676 {source="Europe PMC"} xref: Wikipedia:Fatty_acid is_a: CHEBI:18059 ! lipid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHO2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "45.01740" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "44.99765" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC([*])=O" xsd:string [Term] id: CHEBI:35381 name: monosaccharide namespace: chebi_ontology alt_id: CHEBI:25407 alt_id: CHEBI:6984 def: "Parent monosaccharides are polyhydroxy aldehydes H[CH(OH)]nC(=O)H or polyhydroxy ketones H-[CHOH]n-C(=O)[CHOH]m-H with three or more carbon atoms. The generic term 'monosaccharide' (as opposed to oligosaccharide or polysaccharide) denotes a single unit, without glycosidic connection to other such units. It includes aldoses, dialdoses, aldoketoses, ketoses and diketoses, as well as deoxy sugars, provided that the parent compound has a (potential) carbonyl group." [] subset: 3_STAR synonym: "monosacarido" RELATED [ChEBI] synonym: "monosacaridos" RELATED [IUPAC] synonym: "Monosaccharid" RELATED [ChEBI] synonym: "Monosaccharide" EXACT [KEGG_COMPOUND] synonym: "monosaccharides" EXACT IUPAC_NAME [IUPAC] synonym: "Monosacharid" RELATED [ChEBI] xref: KEGG:C06698 is_a: CHEBI:16646 ! carbohydrate [Term] id: CHEBI:35437 name: calcium difluoride namespace: chebi_ontology subset: 3_STAR synonym: "CaF2" RELATED [IUPAC] synonym: "calcium difluoride" EXACT IUPAC_NAME [IUPAC] synonym: "calcium fluoride" RELATED [ChemIDplus] synonym: "fluorite" RELATED [NIST_Chemistry_WebBook] synonym: "Kalziumdifluorid" RELATED [ChEBI] synonym: "Kalziumfluorid" RELATED [ChEBI] xref: CAS:7789-75-5 {source="NIST Chemistry WebBook"} xref: CAS:7789-75-5 {source="ChemIDplus"} xref: Gmelin:18380 {source="Gmelin"} is_a: CHEBI:190295 ! inorganic calcium salt property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CaF2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ca.2FH/h;2*1H/q+2;;/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WUKWITHWXAAZEY-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "78.07481" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "77.95940" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[F-].[F-].[Ca++]" xsd:string [Term] id: CHEBI:35828 name: arsenic(3+) namespace: chebi_ontology subset: 3_STAR synonym: "arsenic(3+)" EXACT IUPAC_NAME [IUPAC] synonym: "arsenic(3+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "arsenic(III) cation" EXACT IUPAC_NAME [IUPAC] synonym: "As(3+)" RELATED [IUPAC] xref: Gmelin:40114 {source="Gmelin"} is_a: CDNO:0000012 ! trace element property_value: http://purl.obolibrary.org/obo/chebi/charge "+3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "As" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/As/q+3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LULLIKNODDLMDQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "74.92160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "74.91995" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[As+3]" xsd:string [Term] id: CHEBI:3594 name: Chicoric acid name: chicoric acid namespace: chebi_ontology subset: 2_STAR synonym: "(2R,3R)-2,3-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Chicoric acid" EXACT [KEGG_COMPOUND] synonym: "dicaffeoyltartaric acid" RELATED [ChEBI] xref: CAS:70831-56-0 {source="ChemIDplus"} xref: FooDB:FDB012144 xref: HMDB:HMDB0002375 xref: KEGG:C10437 xref: KNApSAcK:C00002723 xref: PDBeChem:GKP xref: PMID:24244361 {source="Europe PMC"} xref: PMID:30251662 {source="Europe PMC"} xref: PMID:8692814 {source="Europe PMC"} xref: Wikipedia:Cichoric_acid is_a: CHEBI:24689 ! hydroxycinnamic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H18O12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YDDGKXBLOXEEMN-IABMMNSOSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "474.374" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "474.07983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)[C@H](OC(=O)\\C=C\\C1=CC=C(O)C(O)=C1)[C@@H](OC(=O)\\C=C\\C1=CC=C(O)C(O)=C1)C(O)=O" xsd:string [Term] id: CHEBI:36005 name: docosahexaenoic acid namespace: chebi_ontology def: "Any C22 polyunsaturated fatty acid containing six double bonds." [] subset: 3_STAR synonym: "DHA" RELATED [ChEBI] synonym: "docosahexaenoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "docosahexaenoic acids" RELATED [ChEBI] is_a: CHEBI:25681 ! ω−3 fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H32O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "328.489" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "328.24023" xsd:string [Term] id: CHEBI:36006 name: icosapentaenoic acid namespace: chebi_ontology def: "Any straight-chain, C20 polyunsaturated fatty acid having five C=C double bonds." [] subset: 3_STAR synonym: "20:5" RELATED [ChEBI] synonym: "C20:5" RELATED [ChEBI] synonym: "eicosapentaenoic acid" RELATED [ChEBI] synonym: "eicosapentaenoic acids" RELATED [ChEBI] synonym: "icosapentaenoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "icosapentaenoic acids" RELATED [ChEBI] is_a: CHEBI:25681 ! ω−3 fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H30O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "302.452" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "302.22458" xsd:string [Term] id: CHEBI:36009 name: omega-6 fatty acid name: ω−6 fatty acid namespace: chebi_ontology def: "A family of polyunsaturated fatty acids that have in common a final carbon-carbon double bond in the n-6 position, i.e., the sixth bond from the methyl end of the fatty acid." [] subset: 3_STAR synonym: "omega-6 fatty acid" EXACT [] synonym: "omega-6 fatty acid" EXACT [ChEBI] synonym: "omega-6 fatty acids" RELATED [ChEBI] xref: PMID:19035453 {source="Europe PMC"} xref: PMID:19136835 {source="Europe PMC"} is_a: CHEBI:26208 ! polyunsaturated fatty acid [Term] id: CHEBI:36023 name: vaccenic acid namespace: chebi_ontology def: "An octadecenoic acid having a double bond at position 11; and which can occur in cis- or trans- configurations." [] subset: 3_STAR synonym: "11-octadecenoic acid" RELATED [ChEBI] synonym: "18:1 (11)" RELATED [ChEBI] synonym: "18:1 (n-7)" RELATED [ChEBI] synonym: "C18:1 (11)" RELATED [ChEBI] synonym: "C18:1 (n-7)" RELATED [ChEBI] synonym: "Delta(11)-Octadecensaeure" RELATED [ChEBI] synonym: "octadec-11-enoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Octadec-11-ensaeure" RELATED [ChEBI] xref: Beilstein:1726564 {source="Beilstein"} xref: HMDB:HMDB0003231 xref: Reaxys:1726564 {source="Reaxys"} is_a: CHEBI:25413 ! monounsaturated fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H34O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "UWHZIFQPPBDJPM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "282.46136" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "282.25588" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(CCCCCC)=C([H])CCCCCCCCCC(O)=O" xsd:string [Term] id: CHEBI:36080 name: protein namespace: chebi_ontology alt_id: CHEBI:13677 alt_id: CHEBI:14911 def: "A biological macromolecule minimally consisting of one polypeptide chain synthesized at the ribosome." [] subset: 3_STAR synonym: "proteins" EXACT IUPAC_NAME [IUPAC] is_a: CDNO:0000001 ! dietary chemical component [Term] id: CHEBI:36090 name: 4-coumaric acid namespace: chebi_ontology alt_id: CHEBI:20348 alt_id: CHEBI:20405 def: "A coumaric acid in which the hydroxy substituent is located at C-4 of the phenyl ring." [] subset: 3_STAR synonym: "3-(4-hydroxyphenyl)-2-propenoic acid" RELATED [ChemIDplus] synonym: "3-(4-hydroxyphenyl)acrylic acid" RELATED [ChEBI] synonym: "3-(4-hydroxyphenyl)prop-2-enoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "4'-hydroxycinnamic acid" RELATED [NIST_Chemistry_WebBook] synonym: "4-coumaric acid" EXACT [ChemIDplus] synonym: "4-hydroxycinnamic acid" RELATED [ChemIDplus] synonym: "beta-[4-hydroxyphenyl]acrylic acid" RELATED [NIST_Chemistry_WebBook] synonym: "p-coumaric acid" RELATED [ChemIDplus] synonym: "p-coumaric acid" RELATED [] synonym: "p-hydroxycinnamic acid" RELATED [ChemIDplus] synonym: "p-hydroxyphenylacrylic acid" RELATED [ChemIDplus] synonym: "para-coumaric acid" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:2207381 {source="Beilstein"} xref: CAS:7400-08-0 {source="NIST Chemistry WebBook"} xref: CAS:7400-08-0 {source="ChemIDplus"} xref: PMID:11684179 {source="Europe PMC"} xref: PMID:19089825 {source="Europe PMC"} xref: PMID:19930809 {source="Europe PMC"} xref: PMID:22447332 {source="Europe PMC"} xref: PMID:22585412 {source="Europe PMC"} xref: PMID:22923003 {source="Europe PMC"} xref: PMID:23178520 {source="Europe PMC"} xref: PMID:23420453 {source="Europe PMC"} xref: PMID:23485470 {source="Europe PMC"} xref: PMID:23669407 {source="Europe PMC"} xref: PMID:23684599 {source="Europe PMC"} xref: PMID:23810795 {source="Europe PMC"} xref: PMID:23857900 {source="Europe PMC"} xref: PMID:23892112 {source="Europe PMC"} xref: PMID:24927550 {source="Europe PMC"} xref: PMID:7285584 {source="Europe PMC"} xref: Wikipedia:4-coumaric_acid is_a: CHEBI:23401 ! coumaric acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H8O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NGSWKAQJJWESNS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "164.15802" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "164.04734" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=Cc1ccc(O)cc1)C(O)=O" xsd:string [Term] id: CHEBI:36093 name: inorganic chloride namespace: chebi_ontology subset: 3_STAR synonym: "inorganic chloride salt" RELATED [ChEBI] synonym: "inorganic chloride salts" RELATED [ChEBI] synonym: "inorganic chlorides" RELATED [ChEBI] is_a: CHEBI:17996 ! chloride [Term] id: CHEBI:36094 name: organic chloride salt namespace: chebi_ontology subset: 3_STAR synonym: "organic chloride salts" RELATED [ChEBI] is_a: CHEBI:17996 ! chloride [Term] id: CHEBI:36122 name: pelargonidin 3-O-beta-D-glucoside chloride name: pelargonidin 3-O-β-D-glucoside chloride namespace: chebi_ontology def: "A member of the class of anthocyanin chlorides that has pelargonidin 3-O-beta-D-glucoside as the cationic counterpart." [] subset: 3_STAR synonym: "3-(beta-D-glucopyranosyloxy)-4',5,7-trihydroxyflavylium chloride" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3901091 {source="Beilstein"} xref: CAS:18466-51-8 {source="ChemIDplus"} xref: Reaxys:3901091 {source="Reaxys"} is_a: CHEBI:38698 ! anthocyanin chlorides property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H21ClO10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H20O10.ClH/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9;/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25);1H/t16-,17-,18+,19-,21-;/m1./s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CAHGSEFWVUVGGL-UBNZBFALSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "468.83814" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "468.08232" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cl-].OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O" xsd:string [Term] id: CHEBI:36233 name: disaccharide namespace: chebi_ontology alt_id: CHEBI:23844 alt_id: CHEBI:4654 def: "A compound in which two monosaccharides are joined by a glycosidic bond." [] subset: 3_STAR synonym: "disacarido" RELATED [ChEBI] synonym: "disacaridos" RELATED [IUPAC] synonym: "Disaccharid" RELATED [ChEBI] synonym: "Disaccharide" EXACT [KEGG_COMPOUND] synonym: "disaccharides" EXACT IUPAC_NAME [IUPAC] synonym: "Disacharid" RELATED [ChEBI] xref: KEGG:C01911 is_a: CHEBI:16646 ! carbohydrate [Term] id: CHEBI:36281 name: caffeic acid namespace: chebi_ontology def: "A hydroxycinnamic acid that is cinnamic acid in which the phenyl ring is substituted by hydroxy groups at positions 3 and 4. It exists in cis and trans forms; the latter is the more common." [] subset: 3_STAR synonym: "3-(3,4-dihydroxyphenyl)prop-2-enoic acid" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:2210883 {source="Beilstein"} xref: HMDB:HMDB0001964 xref: KEGG:C01481 xref: LINCS:LSM-5272 xref: PMID:11373473 {source="Europe PMC"} xref: PMID:15778121 {source="Europe PMC"} xref: PMID:18061431 {source="Europe PMC"} xref: PMID:18314336 {source="Europe PMC"} xref: PMID:18482095 {source="Europe PMC"} xref: PMID:20542693 {source="Europe PMC"} xref: PMID:8340025 {source="Europe PMC"} xref: Reaxys:2210883 {source="Reaxys"} is_a: CHEBI:24689 ! hydroxycinnamic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H8O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QAIPRVGONGVQAS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "180.15740" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "180.04226" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)C=Cc1ccc(O)c(O)c1" xsd:string [Term] id: CHEBI:36615 name: triterpenoid namespace: chebi_ontology alt_id: CHEBI:27151 alt_id: CHEBI:9748 def: "Any terpenoid derived from a triterpene. The term includes compounds in which the C30 skeleton of the parent triterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups)." [] subset: 3_STAR synonym: "Triterpenoid" EXACT [KEGG_COMPOUND] synonym: "triterpenoides" RELATED [ChEBI] synonym: "triterpenoids" RELATED [ChEBI] xref: KEGG:C06085 is_a: CHEBI:26873 ! terpenoid [Term] id: CHEBI:36683 name: organochlorine compound namespace: chebi_ontology def: "An organochlorine compound is a compound containing at least one carbon-chlorine bond." [] subset: 3_STAR synonym: "an organochlorine molecule" RELATED [UniProt] synonym: "chloroorganic compounds" RELATED [ChEBI] synonym: "chlororganische Verbindungen" RELATED [ChEBI] synonym: "organochloride" RELATED [ChEBI] synonym: "organochloride compound" RELATED [ChEBI] synonym: "organochloride compounds" RELATED [ChEBI] synonym: "organochlorides" RELATED [ChEBI] synonym: "organochlorine compound" EXACT [ChEBI] synonym: "organochlorine compounds" RELATED [ChEBI] xref: MetaCyc:Chlorides xref: Wikipedia:Organochloride is_a: CHEBI:17996 ! chloride property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "ClR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "35.453" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "34.96885" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "*Cl" xsd:string [Term] id: CHEBI:36799 name: campestanol namespace: chebi_ontology alt_id: CHEBI:20641 alt_id: CHEBI:22992 subset: 3_STAR synonym: "(24R)-5alpha-ergostan-3beta-ol" RELATED [IUPAC] synonym: "5alpha-campestan-3beta-ol" EXACT IUPAC_NAME [IUPAC] synonym: "5alpha-Campestanol" RELATED [KEGG_COMPOUND] synonym: "campestanol" EXACT [UniProt] xref: Beilstein:3209563 {source="Beilstein"} xref: CAS:474-60-2 {source="KEGG COMPOUND"} xref: CAS:474-60-2 {source="ChemIDplus"} xref: KEGG:C15787 xref: KNApSAcK:C00007516 xref: LIPID_MAPS_instance:LMST01030103 {source="LIPID MAPS"} is_a: CHEBI:15889 ! sterol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C28H50O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20-,21+,22+,23+,24-,25+,26+,27+,28-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ARYTXMNEANMLMU-ATEDBJNTSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "402.69600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "402.38617" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CC[C@@H](C)C(C)C)[C@@]1(C)CC[C@H](O)C2" xsd:string [Term] id: CHEBI:37136 name: barium(2+) namespace: chebi_ontology alt_id: CHEBI:32593 alt_id: CHEBI:34552 alt_id: CHEBI:49494 subset: 3_STAR synonym: "Ba(2+)" RELATED [UniProt] synonym: "Ba(2+)" RELATED [IUPAC] synonym: "Ba2+" RELATED [KEGG_COMPOUND] synonym: "Barium" RELATED [KEGG_COMPOUND] synonym: "BARIUM ION" RELATED [PDBeChem] synonym: "barium(2+)" EXACT IUPAC_NAME [IUPAC] synonym: "barium(2+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "barium(II) cation" EXACT IUPAC_NAME [IUPAC] xref: CAS:22541-12-4 {source="ChemIDplus"} xref: Gmelin:6848 {source="Gmelin"} xref: KEGG:C13881 xref: PDBeChem:BA is_a: CDNO:0000012 ! trace element property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Ba" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ba/q+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XDFCIPNJCBUZJN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "137.32700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "137.90415" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ba++]" xsd:string [Term] id: CHEBI:37163 name: glucan namespace: chebi_ontology alt_id: CHEBI:24255 alt_id: CHEBI:5392 def: "A polysaccharide composed of glucose residues." [] subset: 3_STAR synonym: "Glucan" EXACT [KEGG_COMPOUND] synonym: "glucan" EXACT IUPAC_NAME [IUPAC] synonym: "glucans" RELATED [ChEBI] xref: CAS:9037-91-6 {source="ChemIDplus"} xref: KEGG:C01379 is_a: CHEBI:18154 ! polysaccharide property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H22O11(C6H10O5)n" xsd:string [Term] id: CHEBI:37165 name: galactan namespace: chebi_ontology alt_id: CHEBI:24134 alt_id: CHEBI:5249 def: "Polysaccharides composed of galactose residues." [] subset: 3_STAR synonym: "Galactan" EXACT [KEGG_COMPOUND] synonym: "galactan" EXACT IUPAC_NAME [IUPAC] synonym: "galactans" RELATED [ChEBI] xref: KEGG:C05796 xref: KEGG:G10534 xref: PMID:8154046 {source="Europe PMC"} is_a: CHEBI:18154 ! polysaccharide property_value: http://purl.obolibrary.org/obo/chebi/formula "(C12H20O11)n" xsd:string [Term] id: CHEBI:37166 name: xylan namespace: chebi_ontology alt_id: CHEBI:10077 alt_id: CHEBI:27335 def: "Polysaccharides composed of xylose residues." [] subset: 3_STAR synonym: "(1,4-beta-D-Xylan)n" RELATED [KEGG_COMPOUND] synonym: "(1,4-beta-D-Xylan)n+1" RELATED [KEGG_COMPOUND] synonym: "Xylan" EXACT [KEGG_COMPOUND] synonym: "xylan" EXACT IUPAC_NAME [IUPAC] synonym: "xylans" RELATED [ChEBI] xref: AGR:IND607314753 {source="Europe PMC"} xref: AGR:IND607391714 {source="Europe PMC"} xref: CAS:9014-63-5 {source="ChemIDplus"} xref: CAS:9014-63-5 {source="KEGG COMPOUND"} xref: FooDB:FDB001133 xref: HMDB:HMDB0301774 xref: KEGG:C00707 xref: KEGG:C02352 xref: KEGG:G10512 xref: MetaCyc:Xylans xref: PMID:33477583 {source="Europe PMC"} xref: PMID:34684997 {source="Europe PMC"} xref: Wikipedia:Xylan is_a: CHEBI:61266 ! hemicellulose property_value: http://purl.obolibrary.org/obo/chebi/formula "(C5H7O4R)n.(C5H8O4)n" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "(C5H8O4)n.(C5H7O4R)n" xsd:string [Term] id: CHEBI:37167 name: lambda-carrageenan name: λ-carrageenan namespace: chebi_ontology subset: 3_STAR synonym: "(1->4)-2,6-di-O-sulfonato-alpha-D-galactopyranosyl-(1->3)-2-O-sulfonato-beta-D-galactopyranan" EXACT IUPAC_NAME [IUPAC] xref: CAS:9064-57-7 {source="ChemIDplus"} is_a: CHEBI:3435 ! carrageenan property_value: http://purl.obolibrary.org/obo/chebi/formula "(C12H17O19S3)n.C12H19O20S3" xsd:string [Term] id: CHEBI:37168 name: iota-carrageenan name: ι-carrageenan namespace: chebi_ontology subset: 3_STAR synonym: "(1->4)-3,6-anhydro-2-O-sulfonato-alpha-D-galactopyranosyl-(1->3)-4-O-sulfonato-beta-D-galactopyranan" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:9964333 {source="Beilstein"} xref: CAS:9062-07-1 {source="ChemIDplus"} is_a: CHEBI:3435 ! carrageenan property_value: http://purl.obolibrary.org/obo/chebi/formula "(C12H16O15S2)n.C12H18O16S2" xsd:string [Term] id: CHEBI:3718 name: cirsilineol namespace: chebi_ontology def: "A trimethoxyflavone that is flavone substituted by methoxy groups at positions 6, 7 and 3' and hydroxy groups at positions 5 and 4' respectively." [] subset: 3_STAR synonym: "5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one" EXACT IUPAC_NAME [IUPAC] xref: CAS:41365-32-6 {source="KEGG COMPOUND"} xref: CAS:41365-32-6 {source="ChemIDplus"} xref: KEGG:C10032 xref: KNApSAcK:C00013595 xref: LIPID_MAPS_instance:LMPK12111249 {source="LIPID MAPS"} xref: PMID:24689280 {source="Europe PMC"} xref: PMID:25295671 {source="Europe PMC"} xref: Reaxys:1355108 {source="Reaxys"} xref: Wikipedia:Cirsilineol is_a: CHEBI:42491 ! flavone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H16O7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H16O7/c1-22-13-6-9(4-5-10(13)19)12-7-11(20)16-14(25-12)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VKOSQMWSWLZQPA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "344.31540" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "344.08960" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cc(ccc1O)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1" xsd:string [Term] id: CHEBI:37317 name: lanthanum(2+) namespace: chebi_ontology subset: 3_STAR synonym: "La(2+)" RELATED [IUPAC] synonym: "lanthanum(2+)" EXACT IUPAC_NAME [IUPAC] synonym: "lanthanum(2+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "lanthanum(II) cation" EXACT IUPAC_NAME [IUPAC] xref: Gmelin:17246 {source="Gmelin"} is_a: CDNO:0000012 ! trace element property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "La" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/La/q+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QPRFPZGRQQKMEX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "138.90550" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "138.90526" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[La++]" xsd:string [Term] id: CHEBI:37586 name: sodium phosphate namespace: chebi_ontology subset: 3_STAR synonym: "phosphoric acid, sodium salt" RELATED [ChemIDplus] synonym: "sodium orthophosphate" RELATED [ChemIDplus] synonym: "sodium phosphate" EXACT [ChemIDplus] synonym: "sodium phosphates" RELATED [ChEBI] synonym: "sodium salt of phosphoric acid" RELATED [ChemIDplus] xref: CAS:7632-05-5 {source="ChemIDplus"} xref: Wikipedia:Sodium_phosphates is_a: CHEBI:190300 ! inorganic phosphate salt is_a: CHEBI:38702 ! inorganic sodium salt [Term] id: CHEBI:37664 name: cyanidin 3-O-beta-D-galactoside chloride name: cyanidin 3-O-β-D-galactoside chloride namespace: chebi_ontology def: "A memeber of the class of anthocyanin chlorides that has cyanidin 3-O-beta-D-galactoside as the cationic counterpart." [] subset: 3_STAR synonym: "3-(beta-D-galactopyranosyloxy)-3',4',5,7-tetrahydroxyflavylium chloride" EXACT IUPAC_NAME [IUPAC] xref: CAS:27661-36-5 {source="ChemIDplus"} is_a: CHEBI:38698 ! anthocyanin chlorides property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H21ClO11" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H20O11.ClH/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8;/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26);1H/t16-,17+,18+,19-,21-;/m1./s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YTMNONATNXDQJF-QSLGVYCOSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "484.83754" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "484.07724" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cl-].OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:37684 name: mannose namespace: chebi_ontology alt_id: CHEBI:14575 alt_id: CHEBI:33930 def: "An aldohexose that is the C-2 epimer of glucose." [] subset: 3_STAR synonym: "Man" RELATED [JCBN] synonym: "manno-hexose" EXACT IUPAC_NAME [IUPAC] synonym: "mannose" EXACT IUPAC_NAME [IUPAC] xref: PMID:16180318 {source="Europe PMC"} xref: PMID:24407290 {source="Europe PMC"} is_a: CHEBI:35381 ! monosaccharide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H12O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "180.156" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "180.06339" xsd:string [Term] id: CHEBI:38021 name: cyanin chloride namespace: chebi_ontology def: "A member of the class of anthocyanin chlorides that has cyanin cation as the cationic counterpart." [] subset: 3_STAR synonym: "2-(3,4-dihydroxyphenyl)-3,5-bis(beta-D-glucopyranosyloxy)-7-hydroxy-1-benzopyrylium chloride" RELATED [ChemIDplus] synonym: "2-(3,4-dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-7-hydroxychromenylium-5-yl beta-D-glucopyranoside chloride" RELATED [IUPAC] synonym: "3,5-bis(beta-D-glucopyranosyloxy)-3',4',7-trihydroxyflavylium chloride" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:3893276 {source="Beilstein"} xref: CAS:2611-67-8 {source="ChemIDplus"} xref: Reaxys:3893276 {source="Reaxys"} is_a: CHEBI:38698 ! anthocyanin chlorides property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H31ClO16" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C27H30O16.ClH/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27;/h1-6,17-24,26-29,33-38H,7-8H2,(H2-,30,31,32);1H/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-;/m1./s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QDVZZZBBPRFPDG-DHJOXOLYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "646.97814" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "646.13006" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cl-].OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O" xsd:string [Term] id: CHEBI:3815 name: Collagen name: collagen namespace: chebi_ontology comment: Further classification will be integrated for this class subset: 2_STAR synonym: "Collagen" EXACT [KEGG_COMPOUND] xref: CAS:9064-67-9 {source="KEGG COMPOUND"} xref: KEGG:C00211 is_a: CHEBI:36080 ! protein property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H6N2O3R2(C7H9N2O2R)n" xsd:string [Term] id: CHEBI:38691 name: flavan namespace: chebi_ontology alt_id: CHEBI:24039 alt_id: CHEBI:36097 def: "The simplest member of the class of flavans that is chromane substituted by a phenyl group at position 2." [] subset: 3_STAR synonym: "2-phenyl-3,4-dihydro-2H-chromene" EXACT IUPAC_NAME [IUPAC] synonym: "2-Phenylchroman" RELATED [ChemIDplus] synonym: "2-phenylchromane" RELATED [ChEBI] synonym: "3,4-dihydro-2-phenyl-2H-1-benzopyran" RELATED [ChemIDplus] synonym: "flavan" EXACT [NIST_Chemistry_WebBook] xref: Beilstein:383899 {source="Beilstein"} xref: CAS:494-12-2 {source="NIST Chemistry WebBook"} xref: CAS:494-12-2 {source="ChemIDplus"} xref: MetaCyc:CPD-13729 xref: Reaxys:383899 {source="Reaxys"} xref: Wikipedia:Flavan is_a: CHEBI:47916 ! flavonoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H14O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H14O/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-9,15H,10-11H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QOLIPNRNLBQTAU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "210.27106" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "210.10447" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1Cc2ccccc2OC1c1ccccc1" xsd:string [Term] id: CHEBI:38695 name: anthocyanidin namespace: chebi_ontology def: "Any flavonoid that is a salt containing flavylium ion or 2-phenylchromenylium skeleton and its substituted derivatives together with an appropriate counterion. Aglycons of anthocyanins, they form a part of the large group of planr pigments." [] subset: 3_STAR synonym: "anthocyanidins" RELATED [ChEBI] xref: HMDB:HMDB0031460 xref: KEGG:C02003 xref: MetaCyc:Anthocyanidins xref: Wikipedia:Anthocyanidins is_a: CHEBI:47916 ! flavonoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15OR11X" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "196.160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "195.99491" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[F,Cl,Br,I-].[*]C1=C([*])C([*])=C(C([*])=C1[*])C1=[O+]C2=C([*])C([*])=C([*])C([*])=C2C([*])=C1[*]" xsd:string [Term] id: CHEBI:38697 name: anthocyanin namespace: chebi_ontology def: "Any flavonoid that is a glycoside derivative of anthocyanidin. Anthocyanins are water-souluble plant pigments that generally occur as acidic salts exhibiting bright colours." [] subset: 3_STAR synonym: "anthocyanins" RELATED [ChEBI] is_a: CHEBI:47916 ! flavonoid [Term] id: CHEBI:38698 name: anthocyanin chlorides namespace: chebi_ontology def: "An organic chloride salt of any anthocyanin." [] subset: 3_STAR is_a: CHEBI:38697 ! anthocyanin [Term] id: CHEBI:38700 name: organic sodium salt namespace: chebi_ontology subset: 3_STAR synonym: "organic sodium salt" EXACT [ChEBI] synonym: "organic sodium salts" RELATED [ChEBI] is_a: CDNO:0000020 ! dietary sodium [Term] id: CHEBI:38702 name: inorganic sodium salt namespace: chebi_ontology subset: 3_STAR synonym: "inorganic sodium salts" RELATED [ChEBI] is_a: CDNO:0000020 ! dietary sodium [Term] id: CHEBI:38755 name: hydroxyisoflavone namespace: chebi_ontology def: "Member of the class of isoflavones bearing at least one hydroxy group." [] subset: 3_STAR synonym: "hydroxyisoflavones" RELATED [ChEBI] is_a: CHEBI:50753 ! isoflavonoid [Term] id: CHEBI:38757 name: isoflavones namespace: chebi_ontology alt_id: CHEBI:24889 alt_id: CHEBI:24894 def: "Any isoflavonoid with a 3-aryl-1-benzopyran-4-one (3-aryl-4H-chromen-4-one) skeleton and its substituted derivatives." [] subset: 3_STAR synonym: "an isoflavone" RELATED [UniProt] synonym: "an isoflavone" RELATED [ChEBI] synonym: "isoflavones" EXACT [ChEBI] xref: MetaCyc:Isoflavones is_a: CHEBI:50753 ! isoflavonoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15O2R10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "212.160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "211.98983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C12=C(C(=C(C(=C2C(C(=C(O1)*)C=3C(=C(C(=C(C3*)*)*)*)*)=O)*)*)*)*" xsd:string [Term] id: CHEBI:3908 name: coumestrol namespace: chebi_ontology def: "A member of the class of coumestans that is coumestan with hydroxy substituents at positions 3 and 9." [] subset: 3_STAR synonym: "3,9-dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one" EXACT IUPAC_NAME [IUPAC] synonym: "3,9-dihydroxycoumestan" RELATED [ChEBI] synonym: "Chrysanthin" RELATED [HMDB] synonym: "Coumestrol" EXACT [KEGG_COMPOUND] xref: CAS:479-13-0 {source="KEGG COMPOUND"} xref: CAS:479-13-0 {source="ChemIDplus"} xref: HMDB:HMDB0002326 xref: KEGG:C10205 xref: KNApSAcK:C00002514 xref: LINCS:LSM-4202 xref: LIPID_MAPS_instance:LMPK12090018 {source="LIPID MAPS"} xref: MetaCyc:CPD-11779 xref: PMID:22644850 {source="Europe PMC"} xref: PMID:22694330 {source="Europe PMC"} xref: PMID:22824334 {source="Europe PMC"} xref: PMID:22926873 {source="Europe PMC"} xref: PMID:23348407 {source="Europe PMC"} xref: Reaxys:266702 {source="Reaxys"} xref: Wikipedia:Coumestrol is_a: CHEBI:72577 ! coumestans property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H8O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZZIALNLLNHEQPJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "268.22100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "268.03717" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccc2c(c1)oc1c3ccc(O)cc3oc(=O)c21" xsd:string [Term] id: CHEBI:42111 name: (R)-lactic acid namespace: chebi_ontology alt_id: CHEBI:341 alt_id: CHEBI:42105 alt_id: CHEBI:43701 def: "An optically active form of lactic acid having (R)-configuration." [] subset: 3_STAR synonym: "(-)-lactic acid" RELATED [ChemIDplus] synonym: "(2R)-2-hydroxypropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(R)-(-)-lactic acid" RELATED [ChemIDplus] synonym: "D-2-Hydroxypropanoic acid" RELATED [KEGG_COMPOUND] synonym: "D-2-Hydroxypropionic acid" RELATED [KEGG_COMPOUND] synonym: "D-Lactic acid" RELATED [KEGG_COMPOUND] synonym: "D-lactic acid" RELATED [] synonym: "D-lactic acid" RELATED [ChemIDplus] synonym: "D-Milchsaeure" RELATED [ChEBI] synonym: "LACTIC ACID" RELATED [PDBeChem] xref: Beilstein:1720252 {source="Beilstein"} xref: CAS:10326-41-7 {source="ChemIDplus"} xref: CAS:10326-41-7 {source="KEGG COMPOUND"} xref: DrugBank:DB03066 xref: DrugBank:DB04398 xref: Gmelin:362718 {source="Gmelin"} xref: HMDB:HMDB0001311 xref: KEGG:C00256 xref: KNApSAcK:C00019549 xref: PDBeChem:LAC xref: PMID:21842515 {source="Europe PMC"} xref: PMID:22127808 {source="Europe PMC"} xref: PMID:22277286 {source="Europe PMC"} xref: PMID:22344644 {source="Europe PMC"} xref: Reaxys:1720252 {source="Reaxys"} xref: Wikipedia:Lactic_acid is_a: CHEBI:78320 ! 2-hydroxypropanoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JVTAAEKCZFNVCJ-UWTATZPHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "90.07794" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "90.03169" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H](O)C(O)=O" xsd:string [Term] id: CHEBI:422 name: (S)-lactic acid namespace: chebi_ontology def: "An optically active form of lactic acid having (S)-configuration." [] subset: 3_STAR synonym: "(+)-lactic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(2S)-2-hydroxypropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-(+)-lactic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(S)-2-hydroxypropanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(S)-2-hydroxypropionic acid" RELATED [NIST_Chemistry_WebBook] synonym: "L-(+)-alpha-hydroxypropionic acid" RELATED [ChemIDplus] synonym: "L-(+)-lactic acid" RELATED [NIST_Chemistry_WebBook] synonym: "L-Lactic acid" RELATED [KEGG_COMPOUND] synonym: "L-lactic acid" RELATED [] synonym: "L-Milchsaeure" RELATED [ChEBI] xref: Beilstein:1720251 {source="Beilstein"} xref: CAS:79-33-4 {source="NIST Chemistry WebBook"} xref: CAS:79-33-4 {source="ChemIDplus"} xref: CAS:79-33-4 {source="KEGG COMPOUND"} xref: Gmelin:362717 {source="Gmelin"} xref: HMDB:HMDB0000190 xref: KEGG:C00186 xref: KNApSAcK:C00001191 xref: PMID:21996028 {source="Europe PMC"} xref: PMID:22336740 {source="Europe PMC"} xref: PMID:22367529 {source="Europe PMC"} xref: PMID:22424924 {source="Europe PMC"} xref: PMID:22443585 {source="Europe PMC"} xref: PMID:22461545 {source="Europe PMC"} xref: PMID:22534372 {source="Europe PMC"} xref: PMID:22538963 {source="Europe PMC"} xref: PMID:22578598 {source="Europe PMC"} xref: Reaxys:1720251 {source="Reaxys"} xref: Wikipedia:Lactic_Acid is_a: CHEBI:78320 ! 2-hydroxypropanoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C3H6O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JVTAAEKCZFNVCJ-REOHCLBHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "90.07794" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "90.03169" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@H](O)C(O)=O" xsd:string [Term] id: CHEBI:42202 name: daidzein 7-O-beta-D-glucoside name: daidzein 7-O-β-D-glucoside namespace: chebi_ontology alt_id: CHEBI:42197 alt_id: CHEBI:4307 alt_id: CHEBI:86150 def: "A glycosyloxyisoflavone that is daidzein attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It is used in the treatment of alcohol dependency (antidipsotropic)." [] subset: 3_STAR synonym: "3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "daidzein 7-glucoside" RELATED [ChemIDplus] synonym: "daidzein 7-O-beta-D-glucoside" EXACT [UniProt] synonym: "Daidzein 7-O-glucoside" RELATED [KEGG_COMPOUND] synonym: "daidzein 7-O-glucoside" RELATED [ChemIDplus] synonym: "DAIDZIN" RELATED [PDBeChem] synonym: "Daidzin" RELATED [KEGG_COMPOUND] synonym: "daidzin" RELATED [] synonym: "daidzoside" RELATED [ChemIDplus] xref: Beilstein:59741 {source="Beilstein"} xref: CAS:552-66-9 {source="ChemIDplus"} xref: CAS:552-66-9 {source="KEGG COMPOUND"} xref: DrugBank:DB02115 xref: HMDB:HMDB0033991 xref: KEGG:C10216 xref: KNApSAcK:C00002518 xref: LIPID_MAPS_instance:LMPK12050013 {source="LIPID MAPS"} xref: MetaCyc:CPD-3424 xref: PDBeChem:DZN xref: PMID:18613661 {source="Europe PMC"} xref: PMID:24154619 {source="Europe PMC"} xref: PMID:24483603 {source="Europe PMC"} xref: PMID:25209298 {source="Europe PMC"} xref: PMID:25236207 {source="Europe PMC"} xref: PMID:25746576 {source="Europe PMC"} xref: PMID:25845411 {source="Europe PMC"} xref: PMID:8433985 {source="Europe PMC"} xref: Reaxys:59741 {source="Reaxys"} xref: Wikipedia:Daidzin is_a: CHEBI:24278 ! glucoside property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H20O9" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KYQZWONCHDNPDP-QNDFHXLGSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "416.37810" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "416.11073" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@@H](O)[C@@H]1O" xsd:string [Term] id: CHEBI:42223 name: emodin namespace: chebi_ontology alt_id: CHEBI:42221 alt_id: CHEBI:4782 def: "A trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by hydroxy groups at positions 1, 3, and 8 and by a methyl group at position 6. It is present in the roots and barks of numerous plants (particularly rhubarb and buckthorn), moulds, and lichens. It is an active ingredient of various Chinese herbs." [] subset: 3_STAR synonym: "1,3,8-trihydroxy-6-methyl-9,10-anthracenedione" RELATED [ChemIDplus] synonym: "1,3,8-trihydroxy-6-methyl-9,10-anthraquinone" RELATED [ChemIDplus] synonym: "1,3,8-trihydroxy-6-methylanthra-9,10-quinone" EXACT IUPAC_NAME [IUPAC] synonym: "3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE" RELATED [PDBeChem] synonym: "Emodin" EXACT [KEGG_COMPOUND] synonym: "Schuttgelb" RELATED [ChemIDplus] xref: Beilstein:1888141 {source="ChemIDplus"} xref: CAS:518-82-1 {source="ChemIDplus"} xref: CAS:518-82-1 {source="KEGG COMPOUND"} xref: DrugBank:DB07715 xref: KEGG:C10343 xref: KNApSAcK:C00000555 xref: LINCS:LSM-18994 xref: LIPID_MAPS_instance:LMPK13040008 {source="LIPID MAPS"} xref: PDBeChem:EMO xref: PMID:12563347 {source="Europe PMC"} xref: PMID:12657721 {source="Europe PMC"} xref: PMID:16077936 {source="Europe PMC"} xref: PMID:16388516 {source="Europe PMC"} xref: PMID:16959273 {source="Europe PMC"} xref: PMID:17019678 {source="Europe PMC"} xref: PMID:17022020 {source="Europe PMC"} xref: PMID:17340270 {source="Europe PMC"} xref: PMID:18193729 {source="Europe PMC"} xref: PMID:18387517 {source="Europe PMC"} xref: PMID:18473931 {source="Europe PMC"} xref: PMID:19089830 {source="Europe PMC"} xref: PMID:19409890 {source="Europe PMC"} xref: PMID:19505457 {source="Europe PMC"} xref: PMID:19799875 {source="Europe PMC"} xref: PMID:19921750 {source="Europe PMC"} xref: PMID:20139316 {source="Europe PMC"} xref: PMID:21834668 {source="Europe PMC"} xref: PMID:22020806 {source="Europe PMC"} xref: PMID:22137788 {source="Europe PMC"} xref: PMID:22144110 {source="Europe PMC"} xref: PMID:22271272 {source="Europe PMC"} xref: PMID:22378302 {source="Europe PMC"} xref: PMID:22426603 {source="Europe PMC"} xref: PMID:22452333 {source="Europe PMC"} xref: PMID:22484343 {source="Europe PMC"} xref: Reaxys:1888141 {source="Reaxys"} xref: Wikipedia:Emodin is_a: CHEBI:22580 ! anthraquinone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H10O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RHMXXJGYXNZAPX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "270.23690" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "270.05282" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1" xsd:string [Term] id: CHEBI:42255 name: (-)-epigallocatechin namespace: chebi_ontology alt_id: CHEBI:31029 alt_id: CHEBI:42251 def: "A flavan-3,3',4',5,5',7-hexol having (2R,3R)-configuration." [] subset: 3_STAR synonym: "(-)-3,3',4',5,5',7-Flavanhexol" RELATED [ChemIDplus] synonym: "(-)-Epigallocatechin" EXACT [KEGG_COMPOUND] synonym: "(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol" EXACT IUPAC_NAME [IUPAC] synonym: "(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol" RELATED [PDBeChem] synonym: "2,3-cis-epigallocatechin" RELATED [MetaCyc] synonym: "Epigallocatechol" RELATED [KEGG_COMPOUND] synonym: "Epigallocatechol" RELATED [ChemIDplus] synonym: "L-Epigallocatechin" RELATED [ChemIDplus] xref: Beilstein:3655868 {source="Beilstein"} xref: CAS:970-74-1 {source="KEGG COMPOUND"} xref: CAS:970-74-1 {source="ChemIDplus"} xref: HMDB:HMDB0038361 xref: KEGG:C12136 xref: KNApSAcK:C00008818 xref: LINCS:LSM-20967 xref: LIPID_MAPS_instance:LMPK12020004 {source="LIPID MAPS"} xref: MetaCyc:CPD-10411 xref: PDBeChem:EGT xref: PMID:10775337 {source="Europe PMC"} xref: PMID:19653629 {source="Europe PMC"} xref: PMID:19937856 {source="Europe PMC"} xref: Reaxys:94057 {source="Reaxys"} is_a: CHEBI:23053 ! catechin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H14O7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XMOCLSLCDHWDHP-IUODEOHRSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "306.26746" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "306.07395" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1" xsd:string [Term] id: CHEBI:42491 name: flavone namespace: chebi_ontology alt_id: CHEBI:42486 alt_id: CHEBI:5076 def: "The simplest member of the class of flavones that consists of 4H-chromen-4-one bearing a phenyl substituent at position 2." [] subset: 3_STAR synonym: "2-Phenyl-4-benzopyron" RELATED [KEGG_COMPOUND] synonym: "2-Phenyl-4-chromone" RELATED [KEGG_COMPOUND] synonym: "2-phenyl-4H-1-benzopyran-4-one" RELATED [NIST_Chemistry_WebBook] synonym: "2-phenyl-4H-benzopyran-4-one" RELATED [NIST_Chemistry_WebBook] synonym: "2-PHENYL-4H-CHROMEN-4-ONE" RELATED [PDBeChem] synonym: "2-phenyl-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "2-phenyl-gamma-benzopyrone" RELATED [NIST_Chemistry_WebBook] synonym: "2-Phenylbenzopyran-4-one" RELATED [HMDB] synonym: "2-phenylchromone" RELATED [NIST_Chemistry_WebBook] synonym: "Flavon" RELATED [ChEBI] synonym: "Flavone" EXACT [KEGG_COMPOUND] synonym: "flavone" EXACT [UniProt] xref: Beilstein:157598 {source="Beilstein"} xref: CAS:525-82-6 {source="NIST Chemistry WebBook"} xref: CAS:525-82-6 {source="ChemIDplus"} xref: CAS:525-82-6 {source="KEGG COMPOUND"} xref: DrugBank:DB07776 xref: Gmelin:1224858 {source="Gmelin"} xref: HMDB:HMDB0003075 xref: KEGG:C10043 xref: KEGG:C15608 xref: KNApSAcK:C00001040 xref: LIPID_MAPS_instance:LMPK12110097 {source="LIPID MAPS"} xref: MetaCyc:CPD-8485 xref: PDBeChem:FLN xref: PMID:11370674 {source="Europe PMC"} xref: PMID:12063116 {source="Europe PMC"} xref: PMID:17347140 {source="Europe PMC"} xref: PMID:18596412 {source="Europe PMC"} xref: Reaxys:157598 {source="Reaxys"} is_a: CHEBI:47916 ! flavonoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H10O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VHBFFQKBGNRLFZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "222.23870" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "222.06808" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=c1cc(oc2ccccc12)-c1ccccc1" xsd:string [Term] id: CHEBI:42504 name: pentadecanoic acid namespace: chebi_ontology alt_id: CHEBI:39108 alt_id: CHEBI:42502 def: "A straight-chain saturated fatty acid containing fifteen-carbon atoms." [] subset: 3_STAR synonym: "15:00" RELATED [ChEBI] synonym: "C15" RELATED [ChEBI] synonym: "C15:0" RELATED [ChEBI] synonym: "n-Pentadecanoic acid" RELATED [KEGG_COMPOUND] synonym: "n-pentadecanoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "PENTADECANOIC ACID" EXACT [PDBeChem] synonym: "pentadecanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Pentadecylic acid" RELATED [KEGG_COMPOUND] synonym: "pentadecylic acid" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1773831 {source="Beilstein"} xref: CAS:1002-84-2 {source="ChemIDplus"} xref: CAS:1002-84-2 {source="NIST Chemistry WebBook"} xref: HMDB:HMDB0000826 xref: KEGG:C16537 xref: KNApSAcK:C00007423 xref: LIPID_MAPS_instance:LMFA01010015 {source="LIPID MAPS"} xref: PDBeChem:F15 xref: PMID:23442377 {source="Europe PMC"} xref: PMID:24930002 {source="Europe PMC"} xref: Reaxys:1773831 {source="Reaxys"} xref: Wikipedia:Pentadecanoic_acid is_a: CHEBI:26607 ! saturated fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H30O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WQEPLUUGTLDZJY-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "242.39750" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "242.22458" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCCCCCCCC(O)=O" xsd:string [Term] id: CHEBI:44247 name: (15Z)-tetracosenoic acid namespace: chebi_ontology alt_id: CHEBI:44244 alt_id: CHEBI:7526 def: "A tetracosenoic acid having a cis-double bond at position 15." [] subset: 3_STAR synonym: "(15Z)-tetracos-15-enoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(15Z)-Tetracosenoic acid" EXACT [KEGG_COMPOUND] synonym: "(Z)-15-Tetracosenoic acid" RELATED [KEGG_COMPOUND] synonym: "(Z)-tetracos-15-enoic acid" RELATED [ChEBI] synonym: "15cis-tetracosenoic acid" RELATED [ChEBI] synonym: "cis-15-tetracosenoic acid" RELATED [CBN] synonym: "cis-Delta(15)-tetracosenoic acid" RELATED [ChEBI] synonym: "Nervonic acid" RELATED [KEGG_COMPOUND] synonym: "nervonic acid" RELATED [] synonym: "Nervonsaeure" RELATED [ChEBI] synonym: "selacholeic acid" RELATED [ChEBI] xref: Beilstein:1728551 {source="Beilstein"} xref: CAS:506-37-6 {source="ChemIDplus"} xref: CAS:506-37-6 {source="KEGG COMPOUND"} xref: KEGG:C08323 xref: KNApSAcK:C00001230 xref: LIPID_MAPS_instance:LMFA01030092 {source="LIPID MAPS"} xref: PMID:12742544 {source="Europe PMC"} xref: PMID:16394593 {source="Europe PMC"} xref: PMID:21147856 {source="Europe PMC"} xref: PMID:8072429 {source="Europe PMC"} xref: PMID:9075193 {source="Europe PMC"} xref: Reaxys:1728551 {source="Reaxys"} is_a: CHEBI:25413 ! monounsaturated fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C24H46O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GWHCXVQVJPWHRF-KTKRTIGZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "366.630" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "365.36577" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "366.34978" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(CCCCCCCCCCCCC/C=C\\CCCCCCCC)=O" xsd:string [Term] id: CHEBI:4631 name: diosmin namespace: chebi_ontology def: "A disaccharide derivative that consists of diosmetin substituted by a 6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage." [] subset: 3_STAR synonym: "3',5,7-trihydroxy-4'-methoxyflavone 7-rhamnoglucoside" RELATED [ChEBI] synonym: "3',5,7-trihydroxy-4'-methoxyflavone-7-rutinoside" RELATED [ChEBI] synonym: "5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "diosmetin 7-neohesperidoside" RELATED [LIPID_MAPS] synonym: "Diosmetin 7-O-rutinoside" RELATED [KEGG_COMPOUND] synonym: "diosmin" RELATED INN [ChemIDplus] synonym: "diosmine" RELATED INN [ChemIDplus] synonym: "diosminum" RELATED INN [ChemIDplus] synonym: "neodiosmin" RELATED [LIPID_MAPS] xref: CAS:520-27-4 {source="ChemIDplus"} xref: CAS:520-27-4 {source="KEGG COMPOUND"} xref: Drug_Central:3157 {source="DrugCentral"} xref: KEGG:C10039 xref: KEGG:D07858 xref: KNApSAcK:C00004362 xref: LINCS:LSM-5989 xref: LIPID_MAPS_instance:LMPK12110819 {source="LIPID MAPS"} xref: PMID:25620156 {source="Europe PMC"} xref: PMID:25821971 {source="Europe PMC"} xref: Reaxys:74883 {source="Reaxys"} xref: Wikipedia:Diosmin is_a: CHEBI:42491 ! flavone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C28H32O15" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GZSOSUNBTXMUFQ-YFAPSIMESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "608.54470" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "608.17412" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc(cc1O)-c1cc(=O)c2c(O)cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc2o1" xsd:string [Term] id: CHEBI:46905 name: (R)-pantothenic acid namespace: chebi_ontology alt_id: CHEBI:18701 alt_id: CHEBI:44679 def: "A pantothenic acid having R-configuration." [] subset: 3_STAR synonym: "(+)-Pantothenic acid" RELATED [HMDB] synonym: "(R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine" RELATED [ChemIDplus] synonym: "3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "chick antidermatitis factor" RELATED [ChemIDplus] synonym: "D(+)-N-(2,4-dihydroxy-3,3-dimethylbutyryl)-beta-alanine" RELATED [ChemIDplus] synonym: "D-(+)-pantothenic acid" RELATED [ChEBI] synonym: "D-pantothenic acid" RELATED [ChemIDplus] synonym: "N-[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanine" RELATED [PDBeChem] synonym: "Pantothenic acid" RELATED [KEGG_COMPOUND] synonym: "pantothenic acid (b5)" RELATED [] synonym: "PANTOTHENOIC ACID" RELATED [PDBeChem] synonym: "vitamin B5" RELATED [ChemIDplus] xref: Beilstein:1727064 {source="ChemIDplus"} xref: CAS:79-83-4 {source="ChemIDplus"} xref: CAS:79-83-4 {source="NIST Chemistry WebBook"} xref: Drug_Central:2055 {source="DrugCentral"} xref: DrugBank:DB01783 xref: FooDB:FDB008322 xref: HMDB:HMDB0000210 xref: KEGG:C00864 xref: KEGG:D07413 xref: KNApSAcK:C00001550 xref: MetaCyc:PANTOTHENATE xref: PDBeChem:PAU xref: PMID:12664639 {source="Europe PMC"} xref: PMID:13614445 {source="Europe PMC"} xref: PMID:14675432 {source="Europe PMC"} xref: PMID:15065769 {source="Europe PMC"} xref: PMID:15136582 {source="Europe PMC"} xref: PMID:15912738 {source="Europe PMC"} xref: PMID:16042590 {source="Europe PMC"} xref: PMID:17023940 {source="Europe PMC"} xref: PMID:17439666 {source="Europe PMC"} xref: PMID:17913047 {source="Europe PMC"} xref: PMID:18186650 {source="Europe PMC"} xref: PMID:19307712 {source="Europe PMC"} xref: PMID:19959891 {source="Europe PMC"} xref: PMID:20451532 {source="Europe PMC"} xref: PMID:21904030 {source="Europe PMC"} xref: PMID:22052867 {source="Europe PMC"} xref: PMID:22468352 {source="Europe PMC"} xref: PMID:23727638 {source="Europe PMC"} xref: PMID:27555321 {source="Europe PMC"} xref: PMID:32416962 {source="Europe PMC"} xref: PMID:32979277 {source="Europe PMC"} xref: PMID:5352084 {source="Europe PMC"} xref: Reaxys:1727064 {source="Reaxys"} xref: Wikipedia:Pantothenic_Acid is_a: CHEBI:176840 ! vitamin B5 property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H17NO5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GHOKWGTUZJEAQD-ZETCQYMHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "219.23502" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "219.11067" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)(CO)[C@@H](O)C(=O)NCCC(O)=O" xsd:string [Term] id: CHEBI:4767 name: Elastin name: elastin namespace: chebi_ontology comment: Further classification will be integrated for this class subset: 2_STAR is_a: CHEBI:36080 ! protein [Term] id: CHEBI:47771 name: beta-tocopherol name: β-tocopherol namespace: chebi_ontology alt_id: CHEBI:22855 alt_id: CHEBI:35069 def: "A tocopherol in which the chroman-6-ol core is substituted by methyl groups at positions 5 and 8. While it is found in low concentrations in many vegetable oils, only cottonseed oil contains significant amounts." [] subset: 3_STAR synonym: "(2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol" RELATED [IUPAC] synonym: "(2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol" EXACT IUPAC_NAME [IUPAC] synonym: "(2R)-3,4-dihydro-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol" RELATED [ChemIDplus] synonym: "(2R,4'R,8'R)-beta-tocopherol" RELATED [ChEBI] synonym: "(R,R,R)-beta-tocopherol" RELATED [ChEBI] synonym: "5,8-dimethyltocol" RELATED [ChEBI] synonym: "beta-Tocopherol" EXACT [KEGG_COMPOUND] synonym: "beta-tocopherol" EXACT [UniProt] synonym: "beta-tocopherol" EXACT [] synonym: "RRR-beta-tocopherol" RELATED [ChEBI] xref: AGR:IND43673672 {source="Europe PMC"} xref: AGR:IND43831641 {source="Europe PMC"} xref: AGR:IND606272494 {source="Europe PMC"} xref: AGR:IND607266641 {source="Europe PMC"} xref: Beilstein:93070 {source="Beilstein"} xref: CAS:148-03-8 {source="KEGG COMPOUND"} xref: CAS:16698-35-4 {source="ChemIDplus"} xref: Chemspider:5256784 xref: FooDB:FDB012381 xref: HMDB:HMDB0006335 xref: KEGG:C14152 xref: KNApSAcK:C00007364 xref: LIPID_MAPS_instance:LMPR02020059 {source="LIPID MAPS"} xref: MetaCyc:BETA-TOCOPHEROL xref: Patent:ES2232276 xref: PMCID:PMC7258573 {source="Europe PMC"} xref: PMID:11390183 {source="Europe PMC"} xref: PMID:16746572 {source="Europe PMC"} xref: PMID:16771430 {source="Europe PMC"} xref: PMID:19339706 {source="Europe PMC"} xref: PMID:19710160 {source="Europe PMC"} xref: PMID:19717743 {source="Europe PMC"} xref: PMID:20357932 {source="Europe PMC"} xref: PMID:22168240 {source="Europe PMC"} xref: PMID:23997325 {source="Europe PMC"} xref: PMID:262184 {source="Europe PMC"} xref: PMID:27694009 {source="Europe PMC"} xref: PMID:5158483 {source="Europe PMC"} xref: PMID:9043639 {source="Europe PMC"} xref: PMID:9920007 {source="Europe PMC"} xref: Reaxys:93070 {source="Reaxys"} xref: Wikipedia:Beta-Tocopherol is_a: CHEBI:27013 ! tocopherol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C28H48O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WGVKWNUPNGFDFJ-DQCZWYHMSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "416.67952" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "416.36543" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1" xsd:string [Term] id: CHEBI:47772 name: delta-tocopherol name: δ-tocopherol namespace: chebi_ontology alt_id: CHEBI:23607 alt_id: CHEBI:35080 def: "A tocopherol in which the chroman-6-ol core is substituted by a methyl group at position 8. It is found particularly in maize (corn) oil and soya bean (soybean) oils." [] subset: 3_STAR synonym: "(+)-delta-tocopherol" RELATED [ChemIDplus] synonym: "(2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol" RELATED [IUPAC] synonym: "(2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol" EXACT IUPAC_NAME [IUPAC] synonym: "(2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-6-chromanol" RELATED [ChEBI] synonym: "(2R)-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol" RELATED [ChEBI] synonym: "(2R)-3,4-dihydro-2,8-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol" RELATED [ChemIDplus] synonym: "(2R,4'R,8'R)-delta-tocopherol" RELATED [ChEBI] synonym: "(R,R,R)-delta-tocopherol" RELATED [ChEBI] synonym: "8-methyltocol" RELATED [ChEBI] synonym: "delta-Tocopherol" EXACT [KEGG_COMPOUND] synonym: "delta-tocopherol" EXACT [] synonym: "delta-tocopherol" EXACT [UniProt] synonym: "E309" RELATED [ChEBI] synonym: "RRR-delta-tocopherol" RELATED [ChEBI] xref: AGR:IND23287363 {source="Europe PMC"} xref: AGR:IND43789460 {source="Europe PMC"} xref: AGR:IND604778332 {source="Europe PMC"} xref: Beilstein:92691 {source="Beilstein"} xref: CAS:119-13-1 {source="NIST Chemistry WebBook"} xref: CAS:119-13-1 {source="ChemIDplus"} xref: Chemspider:83144 xref: FooDB:FDB002432 xref: HMDB:HMDB0002902 xref: KEGG:C14151 xref: KNApSAcK:C00007363 xref: LIPID_MAPS_instance:LMPR02020066 {source="LIPID MAPS"} xref: MetaCyc:DELTA-TOCOPHEROL xref: Patent:US2006112450 xref: PMID:10385606 {source="Europe PMC"} xref: PMID:10419182 {source="Europe PMC"} xref: PMID:11997390 {source="Europe PMC"} xref: PMID:12600864 {source="Europe PMC"} xref: PMID:12772433 {source="Europe PMC"} xref: PMID:14695946 {source="Europe PMC"} xref: PMID:15544870 {source="Europe PMC"} xref: PMID:15596715 {source="Europe PMC"} xref: PMID:15753140 {source="Europe PMC"} xref: PMID:16384840 {source="Europe PMC"} xref: PMID:16400056 {source="Europe PMC"} xref: PMID:16457832 {source="Europe PMC"} xref: PMID:16614418 {source="Europe PMC"} xref: PMID:16876809 {source="Europe PMC"} xref: PMID:17203774 {source="Europe PMC"} xref: PMID:17927195 {source="Europe PMC"} xref: PMID:18356579 {source="Europe PMC"} xref: PMID:18811917 {source="Europe PMC"} xref: PMID:19443199 {source="Europe PMC"} xref: PMID:19454246 {source="Europe PMC"} xref: PMID:21815166 {source="Europe PMC"} xref: PMID:23636547 {source="Europe PMC"} xref: PMID:28203099 {source="Europe PMC"} xref: PMID:29746786 {source="Europe PMC"} xref: PMID:3630967 {source="Europe PMC"} xref: PMID:8245162 {source="Europe PMC"} xref: PMID:9706379 {source="Europe PMC"} xref: Reaxys:92691 {source="Reaxys"} xref: Wikipedia:Delta-Tocopherol is_a: CHEBI:27013 ! tocopherol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H46O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(24)29-27/h18-22,28H,7-17H2,1-6H3/t21-,22-,27-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GZIFEOYASATJEH-VHFRWLAGSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "402.65294" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "402.34978" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2cc(O)cc(C)c2O1" xsd:string [Term] id: CHEBI:47916 name: flavonoid namespace: chebi_ontology alt_id: CHEBI:13638 alt_id: CHEBI:24044 alt_id: CHEBI:5077 def: "Any member of the 'superclass' flavonoids whose skeleton is based on 1-benzopyran with an aryl substituent at position 2. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds." [] subset: 3_STAR synonym: "2-aryl-1-benzopyran" RELATED [ChEBI] synonym: "2-aryl-1-benzopyrans" RELATED [ChEBI] synonym: "Flavonoid" EXACT [KEGG_COMPOUND] synonym: "flavonoids" RELATED [ChEBI] xref: KEGG:C01579 xref: Wikipedia:Flavonoid is_a: CHEBI:72544 ! flavonoids [Term] id: CHEBI:47925 name: 3-coumaric acid namespace: chebi_ontology def: "A monohydroxycinnamic acid in which the hydroxy substituent is located at C-3 of the phenyl ring." [] subset: 3_STAR synonym: "3-(3-hydroxyphenyl)-2-propenoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "3-(3-hydroxyphenyl)acrylic acid" RELATED [NIST_Chemistry_WebBook] synonym: "3-(3-hydroxyphenyl)prop-2-enoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "3-coumaric acid" EXACT [ChemIDplus] synonym: "3-hydroxycinnamic acid" RELATED [ChemIDplus] synonym: "m-coumaric" RELATED [] synonym: "m-coumaric acid" RELATED [NIST_Chemistry_WebBook] synonym: "m-hydroxycinnamic acid" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:2690254 {source="Beilstein"} xref: CAS:588-30-7 {source="NIST Chemistry WebBook"} xref: CAS:588-30-7 {source="ChemIDplus"} is_a: CHEBI:23401 ! coumaric acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H8O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KKSDGJDHHZEWEP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "164.15802" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "164.04734" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=Cc1cccc(O)c1)C(O)=O" xsd:string [Term] id: CHEBI:47964 name: aurone namespace: chebi_ontology def: "A simplest memebr of the class of aurones that is 1-benzofuran-3(2H)-one in which both hydrogens at position 2 are substituted by a benzylidene group (the Z-isomer)." [] subset: 3_STAR synonym: "(2Z)-2-benzylidene-1-benzofuran-3(2H)-one" EXACT IUPAC_NAME [IUPAC] xref: Wikipedia:Aurone is_a: CHEBI:47916 ! flavonoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H10O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H10O2/c16-15-12-8-4-5-9-13(12)17-14(15)10-11-6-2-1-3-7-11/h1-10H/b14-10-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OMUOMODZGKSORV-UVTDQMKNSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "222.23870" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "222.06808" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C1c2ccccc2O\\C1=C/c1ccccc1" xsd:string [Term] id: CHEBI:48039 name: dihydroflavanol name: dihydroflavonols namespace: chebi_ontology alt_id: CHEBI:24035 alt_id: CHEBI:48037 def: "Any hydroxyflavanone in which a hydroxy group is present at position 3 of the heterocyclic ring." [] subset: 3_STAR synonym: "2,3-dihydroflavonols" RELATED [ChEBI] synonym: "3-hydroxyflavanone" RELATED [ChEBI] synonym: "a dihydroflavonol" RELATED [UniProt] synonym: "Dihydroflavonol" RELATED [KEGG_COMPOUND] xref: KEGG:C15570 is_a: CHEBI:47916 ! flavonoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15HO3R11" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "229.16660" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "228.99257" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC1([*])C(=O)c2c([*])c([*])c([*])c([*])c2OC1([*])c1c([*])c([*])c([*])c([*])c1[*]" xsd:string [Term] id: CHEBI:4806 name: (-)-epigallocatechin 3-gallate name: (−)-epigallocatechin 3-gallate namespace: chebi_ontology def: "A gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin." [] subset: 3_STAR synonym: "(-)-epigallocatechin 3-O-gallate" RELATED [ChEBI] synonym: "(-)-epigallocatechin gallate" RELATED [ChemIDplus] synonym: "(-)-epigallocatechin-3-O-gallate" RELATED [ChemIDplus] synonym: "(-)-epigallocatechol gallate" RELATED [ChemIDplus] synonym: "(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate" EXACT IUPAC_NAME [IUPAC] synonym: "3-O-galloyl-(-)-epigallocatechin" RELATED [ChEBI] synonym: "[(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate" RELATED [ChEBI] synonym: "EGCG" RELATED [ChemIDplus] synonym: "epigallocatechin 3-gallate" RELATED [KEGG_COMPOUND] synonym: "epigallocatechin 3-O-gallate" RELATED [ChEBI] synonym: "epigallocatechin gallate" RELATED [ChemIDplus] synonym: "L-epigallocatechin gallate" RELATED [ChemIDplus] synonym: "NVP-XAA 723" RELATED [ChemIDplus] xref: Beilstein:3658838 {source="Beilstein"} xref: CAS:989-51-5 {source="KEGG COMPOUND"} xref: CAS:989-51-5 {source="ChemIDplus"} xref: Chemspider:58575 xref: HMDB:HMDB0003153 xref: KEGG:C09731 xref: KNApSAcK:C00000958 xref: LINCS:LSM-5661 xref: LIPID_MAPS_instance:LMPK12030005 {source="LIPID MAPS"} xref: Patent:CN102600212 xref: Patent:CN102763743 xref: Patent:US2012309821 xref: PDBeChem:KDH xref: PMID:12053219 {source="Europe PMC"} xref: PMID:12918062 {source="Europe PMC"} xref: PMID:14521154 {source="Europe PMC"} xref: PMID:14633667 {source="Europe PMC"} xref: PMID:15024383 {source="Europe PMC"} xref: PMID:15950188 {source="Europe PMC"} xref: PMID:17157668 {source="Europe PMC"} xref: PMID:18665171 {source="Europe PMC"} xref: PMID:18716169 {source="Europe PMC"} xref: PMID:19085685 {source="Europe PMC"} xref: PMID:19113837 {source="Europe PMC"} xref: PMID:19539611 {source="Europe PMC"} xref: PMID:19542563 {source="Europe PMC"} xref: PMID:19784588 {source="Europe PMC"} xref: PMID:19928918 {source="Europe PMC"} xref: PMID:20565072 {source="Europe PMC"} xref: PMID:21080642 {source="Europe PMC"} xref: PMID:21434603 {source="Europe PMC"} xref: PMID:21750208 {source="Europe PMC"} xref: PMID:22300765 {source="Europe PMC"} xref: PMID:22876177 {source="Europe PMC"} xref: PMID:23834676 {source="Europe PMC"} xref: PMID:31503486 {source="Europe PMC"} xref: PMID:31767902 {source="Europe PMC"} xref: PMID:32635637 {source="Europe PMC"} xref: PMID:33268646 {source="Europe PMC"} xref: PMID:33604623 {source="Europe PMC"} xref: PMID:34553787 {source="Europe PMC"} xref: Reaxys:67944 {source="Reaxys"} xref: Wikipedia:Epigallocatechin_gallate is_a: CHEBI:23053 ! catechin is_a: CHEBI:26195 ! polyphenol is_a: CHEBI:51149 ! xanthones property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H18O11" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WMBWREPUVVBILR-WIYYLYMNSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "458.375" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "458.08491" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC(O)=C(O)C(O)=C1" xsd:string [Term] id: CHEBI:48607 name: lithium chloride namespace: chebi_ontology def: "A metal chloride salt with a Li(+) counterion." [] subset: 3_STAR synonym: "chlorure de lithium" RELATED [NIST_Chemistry_WebBook] synonym: "cloruro de litio" RELATED [ChEBI] synonym: "LiCl" RELATED [IUPAC] synonym: "lithii chloridum" RELATED [ChEBI] synonym: "lithium chloride" EXACT IUPAC_NAME [IUPAC] synonym: "Lithiumchlorid" RELATED [ChEBI] xref: CAS:7447-41-8 {source="NIST Chemistry WebBook"} xref: CAS:7447-41-8 {source="ChemIDplus"} xref: PMID:21301855 {source="Europe PMC"} xref: PMID:24398558 {source="Europe PMC"} is_a: CHEBI:36093 ! inorganic chloride property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "ClLi" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClH.Li/h1H;/q;+1/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KWGKDLIKAYFUFQ-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "42.39370" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "41.98486" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Li+].[Cl-]" xsd:string [Term] id: CHEBI:48775 name: cadmium(2+) namespace: chebi_ontology alt_id: CHEBI:3290 alt_id: CHEBI:48773 subset: 3_STAR synonym: "CADMIUM ION" RELATED [PDBeChem] synonym: "cadmium(2+)" EXACT IUPAC_NAME [IUPAC] synonym: "cadmium(2+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "cadmium(II) cation" EXACT IUPAC_NAME [IUPAC] synonym: "cadmium, ion (Cd2+)" RELATED [ChemIDplus] synonym: "Cd(2+)" RELATED [IUPAC] synonym: "Cd(2+)" RELATED [UniProt] synonym: "Cd2+" RELATED [KEGG_COMPOUND] xref: CAS:22537-48-0 {source="ChemIDplus"} xref: Gmelin:6851 {source="Gmelin"} xref: KEGG:C01413 xref: PDBeChem:CD is_a: CDNO:0000012 ! trace element property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Cd" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Cd/q+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WLZRMCYVCSSEQC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "112.41100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "113.90227" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cd++]" xsd:string [Term] id: CHEBI:48828 name: cobalt(2+) namespace: chebi_ontology alt_id: CHEBI:23337 alt_id: CHEBI:48827 subset: 3_STAR synonym: "Co(2+)" RELATED [UniProt] synonym: "Co(II)" RELATED [KEGG_COMPOUND] synonym: "Co2+" RELATED [ChEBI] synonym: "Co2+" RELATED [KEGG_COMPOUND] synonym: "COBALT (II) ION" RELATED [PDBeChem] synonym: "Cobalt(2+)" EXACT [KEGG_COMPOUND] synonym: "cobalt(2+)" EXACT IUPAC_NAME [IUPAC] synonym: "cobalt(2+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "cobalt(2+) ion" RELATED [ChEBI] synonym: "cobalt(II) cation" EXACT IUPAC_NAME [IUPAC] synonym: "cobalt(II) cation" RELATED [ChEBI] synonym: "cobaltous ion" RELATED [ChEBI] xref: CAS:22541-53-3 {source="ChemIDplus"} xref: CAS:22541-53-3 {source="KEGG COMPOUND"} xref: Gmelin:6853 {source="Gmelin"} xref: KEGG:C00175 xref: PDBeChem:CO is_a: CDNO:0000012 ! trace element property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Co" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Co/q+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XLJKHNWPARRRJB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "58.93320" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "58.93210" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Co++]" xsd:string [Term] id: CHEBI:49105 name: thiamine hydrochloride namespace: chebi_ontology def: "A hydrochloride obtained by combining thiamine chloride with one molar equivalent of hydrochloric acid." [] subset: 3_STAR synonym: "3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride hydrochloride" EXACT IUPAC_NAME [IUPAC] synonym: "3-[(4-azaniumyl-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium dichloride" EXACT IUPAC_NAME [IUPAC] synonym: "thiamin dichloride" RELATED [ChemIDplus] synonym: "thiamin hydrochloride" RELATED [ChemIDplus] synonym: "thiamine chloride hydrochloride" RELATED [ChemIDplus] synonym: "thiamine dichloride" RELATED [ChemIDplus] synonym: "thiamine HCl" RELATED [ChemIDplus] synonym: "thiamine(2+) dichloride" RELATED [ChemIDplus] synonym: "thiaminium chloride hydrochloride" RELATED [ChemIDplus] synonym: "vitamin B1 hydrochloride" RELATED [ChemIDplus] xref: AGR:IND605711145 {source="Europe PMC"} xref: AGR:IND606057536 {source="Europe PMC"} xref: Beilstein:3642937 {source="Beilstein"} xref: Beilstein:3851771 {source="Beilstein"} xref: CAS:67-03-8 {source="ChemIDplus"} xref: Chemspider:5967 xref: DrugBank:DBSALT000205 xref: FooDB:FDB008416 xref: Gmelin:31154 {source="Gmelin"} xref: Gmelin:691133 {source="Gmelin"} xref: KEGG:D02094 xref: PMID:11548854 {source="Europe PMC"} xref: PMID:12224421 {source="Europe PMC"} xref: PMID:21212548 {source="Europe PMC"} xref: PMID:22305197 {source="Europe PMC"} xref: PMID:24399744 {source="Europe PMC"} xref: PMID:25977858 {source="Europe PMC"} xref: PMID:26616989 {source="Europe PMC"} xref: PMID:27163892 {source="Europe PMC"} xref: PMID:28763984 {source="Europe PMC"} xref: PMID:28784494 {source="Europe PMC"} xref: PMID:30131156 {source="Europe PMC"} xref: PMID:31270735 {source="Europe PMC"} xref: PMID:31664290 {source="Europe PMC"} xref: PMID:32009117 {source="Europe PMC"} xref: PMID:32562525 {source="Europe PMC"} xref: PMID:32824791 {source="Europe PMC"} xref: Reaxys:17124533 {source="Reaxys"} is_a: CHEBI:26948 ! vitamin B1 property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H17N4OS.HCl.Cl" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H18Cl2N4OS" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DPJRMOMPQZCRJU-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "337.270" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "336.05784" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C([N+]=1C(=C(SC1)CCO)C)C=2C(=NC(C)=NC2)N.[Cl-].Cl" xsd:string [Term] id: CHEBI:49414 name: molybdenum(4+) namespace: chebi_ontology alt_id: CHEBI:30509 alt_id: CHEBI:49409 subset: 3_STAR synonym: "Mo(4+)" RELATED [IUPAC] synonym: "molybdenum(4+)" EXACT IUPAC_NAME [IUPAC] synonym: "molybdenum(4+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "molybdenum(IV) cation" EXACT IUPAC_NAME [IUPAC] synonym: "MOLYBDENUM(IV) ION" RELATED [PDBeChem] synonym: "Molybdenum, ion (Mo4+)" RELATED [ChemIDplus] xref: CAS:21175-08-6 {source="ChemIDplus"} xref: Gmelin:54125 {source="Gmelin"} xref: PDBeChem:4MO is_a: CDNO:0000028 ! dietary molybdenum property_value: http://purl.obolibrary.org/obo/chebi/charge "+4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Mo" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Mo/q+4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZIKKVZAYJJZBGE-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "95.94000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "97.90321" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Mo+4]" xsd:string [Term] id: CHEBI:49446 name: molybdenum(6+) namespace: chebi_ontology alt_id: CHEBI:30510 alt_id: CHEBI:49445 subset: 3_STAR synonym: "Mo(6+)" RELATED [UniProt] synonym: "Mo(6+)" RELATED [IUPAC] synonym: "molybdenum(6+)" EXACT [IUPAC] synonym: "molybdenum(6+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "molybdenum(VI) cation" EXACT IUPAC_NAME [IUPAC] synonym: "MOLYBDENUM(VI) ION" RELATED [PDBeChem] synonym: "Molybdenum, ion (Mo(6+))" RELATED [ChemIDplus] xref: CAS:16065-87-5 {source="ChemIDplus"} xref: Gmelin:8440 {source="Gmelin"} xref: PDBeChem:6MO is_a: CDNO:0000028 ! dietary molybdenum property_value: http://purl.obolibrary.org/obo/chebi/charge "+6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Mo" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Mo/q+6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HCNGUXXTNNIKCQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "95.94000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "97.90211" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Mo+6]" xsd:string [Term] id: CHEBI:49470 name: aluminium(3+) namespace: chebi_ontology alt_id: CHEBI:29106 alt_id: CHEBI:49469 def: "An aluminium cation that has a charge of +3." [] subset: 3_STAR synonym: "Al(3+)" RELATED [IUPAC] synonym: "aluminium ion" RELATED [ChEBI] synonym: "aluminium(3+)" EXACT IUPAC_NAME [IUPAC] synonym: "aluminium(3+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "aluminium(III) cation" EXACT IUPAC_NAME [IUPAC] synonym: "ALUMINUM ION" RELATED [PDBeChem] xref: Gmelin:15989 {source="Gmelin"} xref: PDBeChem:AL is_a: CDNO:0000012 ! trace element property_value: http://purl.obolibrary.org/obo/chebi/charge "+3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Al" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Al/q+3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "REDXJYDRNCIFBQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "26.98154" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "26.97989" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Al+3]" xsd:string [Term] id: CHEBI:49547 name: caesium(1+) namespace: chebi_ontology alt_id: CHEBI:33126 alt_id: CHEBI:49546 subset: 3_STAR synonym: "caesium" RELATED [IUPAC] synonym: "caesium(1+)" EXACT IUPAC_NAME [IUPAC] synonym: "cesium cation" RELATED [NIST_Chemistry_WebBook] synonym: "CESIUM ION" RELATED [PDBeChem] synonym: "cesium(1+)" RELATED [ChEBI] synonym: "Cs(+)" RELATED [UniProt] synonym: "Cs(+)" RELATED [IUPAC] xref: CAS:18459-37-5 {source="NIST Chemistry WebBook"} xref: CAS:18459-37-5 {source="ChemIDplus"} xref: Gmelin:15188 {source="Gmelin"} xref: PDBeChem:CS is_a: CDNO:0000012 ! trace element property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Cs" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Cs/q+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NCMHKCKGHRPLCM-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "132.90545" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "132.90490" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cs+]" xsd:string [Term] id: CHEBI:49713 name: lithium(1+) namespace: chebi_ontology alt_id: CHEBI:30143 alt_id: CHEBI:49711 subset: 3_STAR synonym: "Li(+)" RELATED [UniProt] synonym: "Li(+)" RELATED [IUPAC] synonym: "lithium cation" RELATED [NIST_Chemistry_WebBook] synonym: "LITHIUM ION" RELATED [PDBeChem] synonym: "lithium(1+)" EXACT IUPAC_NAME [IUPAC] synonym: "lithium(1+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "lithium(I) cation" EXACT IUPAC_NAME [IUPAC] synonym: "lithium, ion" RELATED [NIST_Chemistry_WebBook] synonym: "Lithium, ion (Li1+)" RELATED [ChemIDplus] xref: CAS:17341-24-1 {source="NIST Chemistry WebBook"} xref: CAS:17341-24-1 {source="ChemIDplus"} xref: DrugBank:DB01356 xref: Gmelin:15205 {source="Gmelin"} xref: PDBeChem:LI is_a: CDNO:0000012 ! trace element property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Li" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Li/q+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HBBGRARXTFLTSG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "6.94100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "7.01545" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Li+]" xsd:string [Term] id: CHEBI:49786 name: nickel(2+) namespace: chebi_ontology alt_id: CHEBI:25517 alt_id: CHEBI:49785 def: "A nickel cation in which the nickel carries a double positive charge." [] subset: 3_STAR synonym: "Ni(2+)" RELATED [IUPAC] synonym: "Ni(2+)" RELATED [UniProt] synonym: "Ni2+" RELATED [KEGG_COMPOUND] synonym: "NICKEL (II) ION" RELATED [PDBeChem] synonym: "nickel(2+)" EXACT IUPAC_NAME [IUPAC] synonym: "nickel(2+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "nickel(II) cation" EXACT IUPAC_NAME [IUPAC] synonym: "Nickel, ion (Ni2+)" RELATED [ChemIDplus] synonym: "nickelous ion" RELATED [ChEBI] xref: CAS:14701-22-5 {source="ChemIDplus"} xref: Gmelin:6859 {source="Gmelin"} xref: PDBeChem:NI xref: PMID:20456924 {source="Europe PMC"} is_a: CDNO:0000012 ! trace element property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Ni" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ni/q+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VEQPNABPJHWNSG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "58.69340" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "57.93424" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ni++]" xsd:string [Term] id: CHEBI:49807 name: lead(2+) namespace: chebi_ontology alt_id: CHEBI:30179 alt_id: CHEBI:49804 subset: 3_STAR synonym: "LEAD (II) ION" RELATED [PDBeChem] synonym: "lead(2+)" EXACT IUPAC_NAME [IUPAC] synonym: "lead(2+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "lead(II) cation" EXACT IUPAC_NAME [IUPAC] synonym: "Lead, ion (Pb2+)" RELATED [ChemIDplus] synonym: "Pb" RELATED [KEGG_COMPOUND] synonym: "Pb(2+)" RELATED [UniProt] synonym: "Pb(2+)" RELATED [IUPAC] synonym: "Pb2+" RELATED [KEGG_COMPOUND] xref: CAS:14280-50-3 {source="ChemIDplus"} xref: CAS:7439-92-1 {source="KEGG COMPOUND"} xref: Gmelin:6861 {source="Gmelin"} xref: KEGG:C06696 xref: PDBeChem:PB is_a: CDNO:0000012 ! trace element property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Pb" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Pb/q+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RVPVRDXYQKGNMQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "207.20000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "207.97665" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Pb++]" xsd:string [Term] id: CHEBI:49847 name: rubidium(1+) namespace: chebi_ontology alt_id: CHEBI:33495 alt_id: CHEBI:49846 subset: 3_STAR synonym: "Rb(+)" RELATED [UniProt] synonym: "Rb(+)" RELATED [IUPAC] synonym: "Rb+" RELATED [KEGG_COMPOUND] synonym: "rubidium cation" EXACT IUPAC_NAME [IUPAC] synonym: "RUBIDIUM ION" RELATED [PDBeChem] synonym: "rubidium(1+)" EXACT IUPAC_NAME [IUPAC] synonym: "rubidium(1+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "rubidium(I) cation" EXACT IUPAC_NAME [IUPAC] xref: CAS:22537-38-8 {source="NIST Chemistry WebBook"} xref: CAS:22537-38-8 {source="ChemIDplus"} xref: CAS:22537-38-8 {source="KEGG COMPOUND"} xref: Gmelin:15208 {source="Gmelin"} xref: KEGG:C17061 xref: PDBeChem:RB is_a: CDNO:0000012 ! trace element property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Rb" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Rb/q+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NCCSSGKUIKYAJD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "85.46780" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "84.91124" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Rb+]" xsd:string [Term] id: CHEBI:49867 name: antimony(3+) namespace: chebi_ontology alt_id: CHEBI:30302 alt_id: CHEBI:49866 subset: 3_STAR synonym: "ANTIMONY (III) ION" RELATED [PDBeChem] synonym: "antimony(3+)" EXACT IUPAC_NAME [IUPAC] synonym: "antimony(3+) ion" EXACT IUPAC_NAME [IUPAC] synonym: "antimony(III) cation" EXACT IUPAC_NAME [IUPAC] synonym: "Antimony, ion (Sb(3+))" RELATED [ChemIDplus] synonym: "Sb(3+)" RELATED [IUPAC] xref: CAS:23713-48-6 {source="ChemIDplus"} xref: Gmelin:40127 {source="Gmelin"} xref: PDBeChem:SB is_a: CDNO:0000012 ! trace element property_value: http://purl.obolibrary.org/obo/chebi/charge "+3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Sb" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Sb/q+3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FAWGZAFXDJGWBB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "121.76000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "120.90216" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Sb+3]" xsd:string [Term] id: CHEBI:50128 name: biflavonoid namespace: chebi_ontology def: "A flavonoid oligomer that is obtained by the oxidative coupling of at least two units of aryl-substituted benzopyran rings or its substituted derivatives, resulting in the two ring systems being joined together by a single atom or bond." [] subset: 3_STAR synonym: "biflavonoids" RELATED [ChEBI] synonym: "diflavonoid" RELATED [ChEBI] synonym: "diflavonoids" RELATED [ChEBI] xref: Wikipedia:Biflavonoid is_a: CHEBI:72544 ! flavonoids [Term] id: CHEBI:50202 name: naringenin namespace: chebi_ontology def: "A trihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 6 and 4'." [] subset: 3_STAR synonym: "5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:280888 {source="Beilstein"} xref: LINCS:LSM-1927 xref: MetaCyc:Naringenin is_a: CHEBI:5070 ! flavanone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H12O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FTVWIRXFELQLPI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "272.25278" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "272.06847" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccc(cc1)C1CC(=O)c2c(O)cc(O)cc2O1" xsd:string [Term] id: CHEBI:50207 name: sophoraflavanone B namespace: chebi_ontology def: "A trihydroxyflavanone that is (S)-naringenin having a prenyl group at position 8." [] subset: 3_STAR synonym: "(-)-(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chroman-4-one" RELATED [IUBMB] synonym: "(-)-(2S)-8-dimethylallylnaringenin" RELATED [IUBMB] synonym: "(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-8-dimethylallylnaringenin" RELATED [ChEBI] synonym: "8-Prenylnaringenin" RELATED [KEGG_COMPOUND] synonym: "8-prenylnaringenin" RELATED [ChEBI] synonym: "Flavaprenin" RELATED [KEGG_COMPOUND] synonym: "sophoraflavanone B" EXACT [UniProt] xref: Beilstein:5611472 {source="Beilstein"} xref: KEGG:C18023 xref: LIPID_MAPS_instance:LMPK12140279 {source="LIPID MAPS"} xref: MetaCyc:CPD-9440 xref: PMID:22766195 {source="Europe PMC"} xref: PMID:22933043 {source="Europe PMC"} xref: Reaxys:5611472 {source="Reaxys"} xref: Wikipedia:Sophoraflavanone_B is_a: CHEBI:5070 ! flavanone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H20O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3/t18-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LPEPZZAVFJPLNZ-SFHVURJKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "340.36980" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "340.13107" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)=CCc1c(O)cc(O)c2C(=O)C[C@H](Oc12)c1ccc(O)cc1" xsd:string [Term] id: CHEBI:50211 name: retinol namespace: chebi_ontology alt_id: CHEBI:15037 alt_id: CHEBI:26538 def: "A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraen-1-ol substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified)." [] subset: 3_STAR synonym: "3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol" EXACT IUPAC_NAME [IUPAC] synonym: "retinol" EXACT [UniProt] xref: LINCS:LSM-5317 xref: MetaCyc:Retinols is_a: CHEBI:23849 ! diterpenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H30O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FPIPGXGPPPQFEQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "286.45160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "286.22967" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CCO" xsd:string [Term] id: CHEBI:50394 name: organic potassium salt namespace: chebi_ontology subset: 3_STAR synonym: "organic potassium salts" RELATED [ChEBI] is_a: CDNO:0000019 ! dietary potassium [Term] id: CHEBI:5054 name: Fibrin name: fibrin namespace: chebi_ontology comment: Further classification will be integrated for this class subset: 2_STAR synonym: "Fibrin" EXACT [KEGG_COMPOUND] xref: CAS:9001-31-4 {source="KEGG COMPOUND"} xref: KEGG:C00290 is_a: CHEBI:36080 ! protein property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H11N3O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H11N3O2/c1-7-5(10)3-8-4(9)2-6/h2-3,6H2,1H3,(H,7,10)(H,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BWGVNKXGVNDBDI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "145.160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "145.08513" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CNC(=O)CNC(=O)CN" xsd:string [Term] id: CHEBI:50699 name: oligosaccharide namespace: chebi_ontology alt_id: CHEBI:25679 alt_id: CHEBI:35319 alt_id: CHEBI:7758 def: "A compound in which monosaccharide units are joined by glycosidic linkages. The term is commonly used to refer to a defined structure as opposed to a polymer of unspecified length or a homologous mixture. When the linkages are of other types the compounds are regarded as oligosaccharide analogues." [] subset: 3_STAR synonym: "O-glycosylglycoside" RELATED [ChEBI] synonym: "O-glycosylglycosides" RELATED [ChEBI] synonym: "oligosacarido" RELATED [ChEBI] synonym: "oligosacaridos" RELATED [IUPAC] synonym: "Oligosaccharide" EXACT [KEGG_COMPOUND] synonym: "oligosaccharides" EXACT IUPAC_NAME [IUPAC] xref: KEGG:C00930 is_a: CHEBI:16646 ! carbohydrate [Term] id: CHEBI:5070 name: flavanone namespace: chebi_ontology def: "The simplest member of the class of flavanones that consists of flavan bearing an oxo substituent at position 4." [] subset: 3_STAR synonym: "2,3-dihydro-2-phenyl-4H-1-benzopyran-4-one" RELATED [ChemIDplus] synonym: "2,3-Dihydroflavone" RELATED [KEGG_COMPOUND] synonym: "2-phenyl-2,3-dihydro-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "2-phenyl-4-chromanone" RELATED [NIST_Chemistry_WebBook] synonym: "2-phenylchroman-4-one" RELATED [ChEBI] synonym: "Flavanone" EXACT [KEGG_COMPOUND] synonym: "flavanone" EXACT [UniProt] xref: Beilstein:183227 {source="Beilstein"} xref: Beilstein:85290 {source="Beilstein"} xref: CAS:487-26-3 {source="KEGG COMPOUND"} xref: CAS:487-26-3 {source="ChemIDplus"} xref: CAS:487-26-3 {source="NIST Chemistry WebBook"} xref: KEGG:C00766 xref: LINCS:LSM-1283 xref: MetaCyc:FLAVANONES xref: Reaxys:85290 {source="Reaxys"} is_a: CHEBI:47916 ! flavonoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H12O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZONYXWQDUYMKFB-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "224.25458" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "224.08373" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C1CC(Oc2ccccc12)c1ccccc1" xsd:string [Term] id: CHEBI:50753 name: isoflavonoid namespace: chebi_ontology def: "Any 1-benzopyran with an aryl substituent at position 3. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds." [] subset: 3_STAR synonym: "3-aryl-1-benzopyran" RELATED [ChEBI] synonym: "3-aryl-1-benzopyrans" RELATED [ChEBI] synonym: "isoflavonoids" RELATED [ChEBI] xref: MetaCyc:Isoflavonoids xref: Wikipedia:Isoflavonoid is_a: CHEBI:72544 ! flavonoids [Term] id: CHEBI:50985 name: sodium borohydride namespace: chebi_ontology subset: 3_STAR synonym: "borohydrure de sodium" RELATED [ChemIDplus] synonym: "NaBH4" RELATED [NIST_Chemistry_WebBook] synonym: "sodium tetrahydridoborate" EXACT IUPAC_NAME [IUPAC] synonym: "sodium tetrahydridoborate(1-)" RELATED [ChemIDplus] synonym: "sodium tetrahydroborate" RELATED [NIST_Chemistry_WebBook] synonym: "sodium tetrahydroborate(1-)" RELATED [NIST_Chemistry_WebBook] xref: CAS:16940-66-2 {source="ChemIDplus"} xref: CAS:16940-66-2 {source="NIST Chemistry WebBook"} xref: Gmelin:23167 {source="Gmelin"} is_a: CHEBI:38702 ! inorganic sodium salt property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "BH4Na" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/BH4.Na/h1H4;/q-1;+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YOQDYZUWIQVZSF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "37.83300" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "38.03037" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[H][B-]([H])([H])[H]" xsd:string [Term] id: CHEBI:51031 name: organic calcium salt namespace: chebi_ontology subset: 3_STAR synonym: "organic calcium salts" RELATED [ChEBI] is_a: CDNO:0000015 ! dietary calcium [Term] id: CHEBI:51084 name: inorganic nitrate salt namespace: chebi_ontology subset: 3_STAR synonym: "inorganic nitrate salts" RELATED [ChEBI] synonym: "inorganic nitrates" RELATED [ChEBI] is_a: CHEBI:24866 ! salt [Term] id: CHEBI:51149 name: xanthones namespace: chebi_ontology def: "Any member of the class of xanthenes based on a xanthone skeleton." [] subset: 3_STAR is_a: CDNO:0000013 ! plant secondary metabolite [Term] id: CHEBI:51867 name: methyl ketone namespace: chebi_ontology def: "A ketone of formula RC(=O)CH3 (R =/= H)." [] subset: 3_STAR synonym: "methyl ketones" RELATED [ChEBI] synonym: "phenolic ketone" RELATED [] is_a: CDNO:0000013 ! plant secondary metabolite [Term] id: CHEBI:52221 name: isothiocyanate namespace: chebi_ontology alt_id: CHEBI:183101 alt_id: CHEBI:24927 alt_id: CHEBI:24929 def: "An organosulfur compound with the general formula R-N=C=S." [] subset: 3_STAR synonym: "an isothiocyanate" RELATED [UniProt] synonym: "isothiocyanates" RELATED [ChEBI] xref: MetaCyc:ISOTHIOCYANATES xref: PMID:21783213 {source="SUBMITTER"} xref: Wikipedia:Isothiocyanate is_a: CHEBI:33261 ! organosulfur compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CNSR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "58.084" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "57.97515" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]N=C=S" xsd:string [Term] id: CHEBI:52476 name: sodium phenolate namespace: chebi_ontology subset: 3_STAR synonym: "Sodium carbolate" RELATED [ChemIDplus] synonym: "Sodium phenate" RELATED [ChemIDplus] synonym: "sodium phenolate" EXACT IUPAC_NAME [IUPAC] synonym: "Sodium phenoxide" RELATED [ChemIDplus] xref: Beilstein:3597300 {source="Beilstein"} xref: CAS:139-02-6 {source="KEGG DRUG"} xref: CAS:139-02-6 {source="ChemIDplus"} xref: KEGG:D05455 is_a: CHEBI:38700 ! organic sodium salt property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H5NaO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H6O.Na/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NESLWCLHZZISNB-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "116.09310" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "116.02381" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[O-]c1ccccc1" xsd:string [Term] id: CHEBI:53258 name: sodium citrate namespace: chebi_ontology def: "The trisodium salt of citric acid." [] subset: 3_STAR synonym: "citric acid trisodium salt" RELATED [ChEBI] synonym: "trisodium 2-hydroxypropane-1,2,3-tricarboxylate" EXACT IUPAC_NAME [IUPAC] synonym: "trisodium citrate" RELATED [ChEBI] xref: Reaxys:3920956 {source="Reaxys"} xref: Wikipedia:Trisodium_citrate is_a: CHEBI:38700 ! organic sodium salt property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H5Na3O7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H8O7.3Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HRXKRNGNAMMEHJ-UHFFFAOYSA-K" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "258.06900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "257.97284" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O" xsd:string [Term] id: CHEBI:5326 name: geraldone namespace: chebi_ontology def: "A dihydroxyflavone that is the 5-deoxy-derivative of 4',5,7-trihydroxy-3'-methoxyflavone (chrysoeriol)." [] subset: 3_STAR synonym: "5-Deoxychrysoeriol" RELATED [KEGG_COMPOUND] synonym: "7,4'-dihydroxy-3'-methoxyflavone" RELATED [ChEBI] synonym: "7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one" EXACT IUPAC_NAME [IUPAC] xref: CAS:21583-32-4 {source="KEGG COMPOUND"} xref: KEGG:C10047 xref: KNApSAcK:C00003826 xref: LIPID_MAPS_instance:LMPK12110043 {source="LIPID MAPS"} xref: PMID:15283458 {source="Europe PMC"} xref: PMID:24886138 {source="Europe PMC"} xref: Reaxys:1256759 {source="Reaxys"} is_a: CHEBI:42491 ! flavone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H12O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H12O5/c1-20-16-6-9(2-5-12(16)18)14-8-13(19)11-4-3-10(17)7-15(11)21-14/h2-8,17-18H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OUMMPAFEQHTYIZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "284.26350" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "284.06847" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cc(ccc1O)-c1cc(=O)c2ccc(O)cc2o1" xsd:string [Term] id: CHEBI:53460 name: all-cis-icosa-11,14,17-trienoic acid namespace: chebi_ontology def: "An icosatrienoic acid having three cis- double bonds at positions 11, 14 and 17." [] subset: 3_STAR synonym: "(11Z,14Z,17Z)-Eicosa-11,14,17-trienoic acid" RELATED [KEGG_COMPOUND] synonym: "(11Z,14Z,17Z)-Icosa-11,14,17-trienoic acid" RELATED [KEGG_COMPOUND] synonym: "(11Z,14Z,17Z)-icosa-11,14,17-trienoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(Z,Z,Z)-11,14,17-eicosatrienoic acid" RELATED [SUBMITTER] synonym: "11,14,17-Eicosatrienoic acid" RELATED [KEGG_COMPOUND] synonym: "11,14,17-Icosatrienoic acid" RELATED [KEGG_COMPOUND] synonym: "11c,14c,17c-eicosatrienoic acid" RELATED [ChEBI] synonym: "11c,14c,17c-Eicosatriensaeure" RELATED [ChEBI] synonym: "20:3, n-3,6,9 all-cis" RELATED [ChEBI] synonym: "all-cis-11,14,17-eicosatrienoic acid" RELATED [ChEBI] synonym: "all-cis-eicosa-11,14,17-trienoic acid" RELATED [ChEBI] synonym: "all-cis-Eicosa-11,14,17-triensaeure" RELATED [ChEBI] synonym: "C20:3, n-3,6,9 all-cis" RELATED [ChEBI] synonym: "cis,cis,cis-11,14,17-eicosatrienoic acid" RELATED [ChEBI] synonym: "eicosa-11Z,14Z,17Z-trienoic acid" RELATED [ChEBI] synonym: "Eicosatrienoic acid" RELATED [KEGG_COMPOUND] synonym: "eicosatrienoic acid" RELATED [SUBMITTER] synonym: "eicosatrienoic acid" RELATED [] synonym: "ETA" RELATED [KEGG_COMPOUND] synonym: "ETE" RELATED [ChEBI] xref: Beilstein:2458494 {source="Beilstein"} xref: CAS:17046-59-2 {source="ChemIDplus"} xref: CAS:17046-59-2 {source="KEGG COMPOUND"} xref: HMDB:HMDB0060039 xref: KEGG:C16522 xref: LIPID_MAPS_instance:LMFA01030378 {source="LIPID MAPS"} xref: PMID:196185 {source="Europe PMC"} xref: Reaxys:2458494 {source="Reaxys"} is_a: CHEBI:25681 ! ω−3 fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H34O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AHANXAKGNAKFSK-PDBXOOCHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "306.484" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "306.25588" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C(CCC(O)=O)CCCCCC/C=C\\C/C=C\\C/C=C\\CC" xsd:string [Term] id: CHEBI:53486 name: all-cis-icosa-8,11,14-trienoic acid namespace: chebi_ontology alt_id: CHEBI:43587 def: "An icosatrienoic acid having three cis double bonds at positions 8, 11 and 14." [] subset: 3_STAR synonym: "(8Z,11Z,14Z)-icosa-8,11,14-trienoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(8Z,11Z,14Z)-Icosatrienoic acid" RELATED [KEGG_COMPOUND] synonym: "(Z,Z,Z)-8,11,14-Eicosatrienoic acid" RELATED [KEGG_COMPOUND] synonym: "(Z,Z,Z)-8,11,14-Icosatrienoate" RELATED [KEGG_COMPOUND] synonym: "(Z,Z,Z)-8,11,14-Icosatrienoic acid" RELATED [KEGG_COMPOUND] synonym: "20:3, n-6,9,12 all-cis" RELATED [ChEBI] synonym: "8,11,14-Eicosatrienoic Acid" RELATED [DrugBank] synonym: "8c,11c,14c-eicosatrienoic acid" RELATED [ChEBI] synonym: "8c,11c,14c-Eicosatriensaeure" RELATED [ChEBI] synonym: "8Z,11Z,14Z-eicosatrienoic acid" RELATED [ChEBI] synonym: "all-cis-8,11,14-eicosatrienoic acid" RELATED [ChEBI] synonym: "all-cis-8,11,14-icosatrienoic acid" RELATED [ChEBI] synonym: "all-cis-eicosa-8,11,14-trienoic acid" RELATED [ChEBI] synonym: "all-cis-Eicosa-8,11,14-triensaeure" RELATED [ChEBI] synonym: "C20:3, n-6,9,12 all-cis" RELATED [ChEBI] synonym: "cis,cis,cis-8,11,14-eicosatrienoic acid" RELATED [ChEBI] synonym: "DGLA" RELATED [DrugBank] synonym: "Dihomo-gamma-linolenic acid" RELATED [KEGG_COMPOUND] synonym: "dihomo-gamma-linolenic acid" RELATED [ChEBI] synonym: "eicosa-8Z,11Z,14Z-trienoic acid" RELATED [ChEBI] synonym: "gamma-Homolinolenic acid" RELATED [DrugBank] synonym: "Homo-gamma-linolenic acid" RELATED [SUBMITTER] synonym: "homo-gamma-linolenic acid" RELATED [] synonym: "Homo-gamma-linolensaeure" RELATED [ChEBI] xref: Beilstein:1913514 {source="Beilstein"} xref: CAS:1783-84-2 {source="ChemIDplus"} xref: CAS:1783-84-2 {source="KEGG COMPOUND"} xref: DrugBank:DB00154 xref: HMDB:HMDB0002925 xref: KEGG:C03242 xref: LIPID_MAPS_instance:LMFA01030158 {source="LIPID MAPS"} xref: PDBeChem:LAX xref: PMID:3781468 {source="Europe PMC"} xref: PMID:9668087 {source="Europe PMC"} xref: Reaxys:1913514 {source="Reaxys"} is_a: CHEBI:36009 ! ω−6 fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H34O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HOBAELRKJCKHQD-QNEBEIHSSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "306.48280" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "306.25588" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCC\\C=C/C\\C=C/C\\C=C/CCCCCCC(O)=O" xsd:string [Term] id: CHEBI:57455 name: (6R)-5,10-methenyltetrahydrofolate namespace: chebi_ontology def: "A dicarboxylic acid anion arising from deprotonation of both carboxylic acid functions of (6R)-5,10-methenyltetrahydrofolic acid." [] subset: 3_STAR synonym: "5,10-methenyltetrahydrofolate" RELATED [UniProt] synonym: "N-{4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7-hexahydro-8H-imidazo[1,5-f]pteridin-10-ium-8-yl]benzoyl}-L-glutamate" EXACT IUPAC_NAME [IUPAC] is_a: CHEBI:67016 ! tetrahydrofolate property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H20N7O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H21N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,9,12-13H,5-8H2,(H6-,21,22,23,24,25,28,29,30,31,32,33)/p-1/t12-,13+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MEANFMOQMXYMCT-OLZOCXBDSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "454.41610" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "454.14805" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12CNc3nc(N)[nH]c(=O)c3[N+]1=CN(C2)c1ccc(cc1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O" xsd:string [Term] id: CHEBI:59016 name: neohesperidin namespace: chebi_ontology alt_id: CHEBI:7504 def: "A flavanone glycoside that is hesperitin having an 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety attached to the 7-hydroxy group." [] subset: 3_STAR synonym: "(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-7-(((2-O-6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one" RELATED [ChemIDplus] synonym: "Hesperetin 7-O-neohesperidoside" RELATED [KEGG_COMPOUND] synonym: "Neohesperidin" EXACT [KEGG_COMPOUND] xref: Beilstein:1279600 {source="Beilstein"} xref: CAS:13241-33-3 {source="ChemIDplus"} xref: CAS:13241-33-3 {source="KEGG COMPOUND"} xref: HMDB:HMDB0030748 xref: KEGG:C09806 xref: KNApSAcK:C00000987 xref: LIPID_MAPS_instance:LMPK12140452 {source="LIPID MAPS"} xref: MetaCyc:CPD-7074 xref: PMID:18045389 {source="Europe PMC"} xref: PMID:21950163 {source="Europe PMC"} xref: PMID:22102373 {source="Europe PMC"} xref: PMID:23285810 {source="Europe PMC"} xref: Reaxys:1279600 {source="Reaxys"} is_a: CHEBI:5070 ! flavanone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C28H34O15" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ARGKVCXINMKCAZ-UZRWAPQLSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "610.56060" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "610.18977" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2O1" xsd:string [Term] id: CHEBI:59265 name: palmitelaidic acid namespace: chebi_ontology def: "A straight-chain, monounsaturated, 16-carbon fatty acid with a trans-double bond at position C-9; the trans-isomer of palmitoleic acid and predominant trans-16:1 isomer in cheeses from goat and ewe milk. Major dietary sources are partly hydrogenated vegetable oils." [] subset: 3_STAR synonym: "(9E)-hexadec-9-enoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(9E)-hexadecenoic acid" RELATED [ChEBI] synonym: "(E)-9-hexadecenoicacid" RELATED [ChEBI] synonym: "9-trans-hexadecenoic acid" RELATED [ChEBI] synonym: "t-16:1D9" RELATED [ChEBI] synonym: "t-9-hexadecenoic acid" RELATED [ChEBI] synonym: "trans-9-hexadecenoic acid" RELATED [ChEBI] synonym: "trans-Delta(9)-hexadecenoic acid" RELATED [ChEBI] synonym: "trans-palmitoleic acid" RELATED [ChEBI] xref: Beilstein:1725390 {source="Beilstein"} xref: CAS:10030-73-6 {source="ChemIDplus"} xref: PMID:11026624 {source="Europe PMC"} xref: PMID:5947520 {source="Europe PMC"} is_a: CHEBI:25413 ! monounsaturated fatty acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H30O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SECPZKHBENQXJG-BQYQJAHWSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "254.40820" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "254.22458" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCC\\C=C\\CCCCCCCC(O)=O" xsd:string [Term] id: CHEBI:60479 name: lysophosphatidylcholine namespace: chebi_ontology def: "An acylglycerophosphocholine resulting from partial hydrolysis of a phosphatidylcholine, which removes one of the fatty acyl groups. The structure is depicted in the image where R1 = acyl, R2 = H or where R1 = H, R2 = acyl." [] subset: 3_STAR synonym: "lysophosphatidylcholines" RELATED [ChEBI] synonym: "monoacylglycero-3-phosphocholine" RELATED [UniProt] is_a: CHEBI:16247 ! phospholipid is_a: CHEBI:190516 ! organic phosphate compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H19NO7PR" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "255.206" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "255.08717" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[C@](CO*)(O*)([H])COP(OCC[N+](C)(C)C)(=O)[O-]" xsd:string [Term] id: CHEBI:60871 name: selenium(2+) namespace: chebi_ontology def: "The selenium ion with two positive charges." [] subset: 3_STAR synonym: "Se(2+)" RELATED [UniProt] synonym: "Se2+" RELATED [SUBMITTER] synonym: "selenium dication" RELATED [ChEBI] is_a: CDNO:0000012 ! trace element property_value: http://purl.obolibrary.org/obo/chebi/charge "+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Se" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Se/q+2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MFSBVGSNNPNWMD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "78.96000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "79.91542" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Se++]" xsd:string [Term] id: CHEBI:61204 name: docosapentaenoic acid namespace: chebi_ontology def: "Any straight-chain, C22 fatty acid having five C=C double bonds." [] subset: 3_STAR synonym: "22:5" RELATED [ChEBI] synonym: "C22:5" RELATED [ChEBI] synonym: "docosapentaenoic acids" RELATED [ChEBI] xref: PMID:12323085 {source="Europe PMC"} xref: PMID:12323090 {source="Europe PMC"} xref: PMID:17547694 {source="Europe PMC"} xref: Wikipedia:Docosapentaenoic_acid is_a: CHEBI:25681 ! ω−3 fatty acid [Term] id: CHEBI:61266 name: hemicellulose namespace: chebi_ontology def: "Hemicelluloses are polysaccharides in plant cell walls that have beta-(1->4)-linked backbones with an equatorial configuration. Hemicelluloses include xyloglucans, xylans, mannans and glucomannans, and beta-(1->3,1->4)-glucans." [] subset: 3_STAR synonym: "hemicelluloses" RELATED [ChEBI] xref: PMID:20192742 {source="SUBMITTER"} is_a: CDNO:0000008 ! insoluble dietary fibre is_a: CHEBI:18154 ! polysaccharide [Term] id: CHEBI:6178 name: L-arabinofuranose namespace: chebi_ontology def: "The five-membered ring form of L-arabinose." [] subset: 3_STAR synonym: "L-Arabinofuranose" EXACT [KEGG_COMPOUND] synonym: "L-arabinofuranose" EXACT [UniProt] synonym: "L-arabinofuranose" EXACT IUPAC_NAME [IUPAC] synonym: "WURCS=2.0/1,1,0/[a211h-1x_1-4]/1/" RELATED [ChEBI] xref: Beilstein:1904880 {source="Beilstein"} xref: GlyGen:G37615KF xref: GlyTouCan:G37615KF xref: KEGG:C06115 xref: PMID:11206446 {source="Europe PMC"} xref: PMID:17336832 {source="Europe PMC"} xref: PMID:22499274 {source="Europe PMC"} xref: PMID:22549013 {source="Europe PMC"} xref: PMID:24036380 {source="Europe PMC"} is_a: CHEBI:22599 ! arabinose property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5?/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HMFHBZSHGGEWLO-HWQSCIPKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "150.12990" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "150.05282" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@@H]1OC(O)[C@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:62466 name: 7,7',9,9'-tetra-cis-lycopene namespace: chebi_ontology def: "An acyclic psi,psi-carotene having cis double bonds at C-7, -7', -9 and -9'." [] subset: 3_STAR synonym: "(7Z,9Z,7'Z,9'Z)-xi,xi-carotene" RELATED [ChEBI] synonym: "7,7',9,9'-tetra-cis-lycopene" EXACT [UniProt] synonym: "7,9,7',9'-tetracis-lycopene" RELATED [ChEBI] synonym: "7-cis,7'-cis,9-cis,9'-cis-psi,psi-carotene" EXACT IUPAC_NAME [IUPAC] synonym: "cis-lycopene" RELATED [] synonym: "prolycopene" RELATED [ChEBI] synonym: "tetra-cis-lycopene" RELATED [ChEBI] xref: KEGG:C15858 xref: KNApSAcK:C00000909 xref: PMID:15503129 {source="Europe PMC"} xref: PMID:8617254 {source="Europe PMC"} xref: Reaxys:2340627 {source="Reaxys"} is_a: CHEBI:15948 ! lycopene property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C40H56" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3/b12-11+,25-15+,26-16+,31-17-,32-18-,35-21+,36-22+,37-27+,38-28+,39-29-,40-30-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OAIJSZIZWZSQBC-BYUNHUQQSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "536.87260" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "536.43820" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)=CCC\\C(C)=C\\C=C/C(C)=C\\C=C\\C(C)=C\\C=C\\C=C(C)\\C=C\\C=C(C)/C=C\\C=C(/C)CCC=C(C)C" xsd:string [Term] id: CHEBI:62965 name: sodium formate namespace: chebi_ontology def: "An organic sodium salt which is the monosodium salt of formic acid." [] subset: 3_STAR synonym: "FORMIC ACID, NA SALT" RELATED [ChemIDplus] synonym: "formic acid, sodium salt" RELATED [SUBMITTER] synonym: "Formic acid, sodium salt (1:1)" RELATED [ChemIDplus] synonym: "sodium formiate" RELATED [ChEBI] synonym: "Sodium methanoate" RELATED [NIST_Chemistry_WebBook] xref: CAS:141-53-7 {source="SUBMITTER"} xref: CAS:141-53-7 {source="NIST Chemistry WebBook"} xref: PMID:21760741 {source="Europe PMC"} xref: Reaxys:3595134 {source="Reaxys"} is_a: CHEBI:38700 ! organic sodium salt property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHNaO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2O2.Na/c2-1-3;/h1H,(H,2,3);/q;+1/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HLBBKKJFGFRGMU-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "68.00720" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "67.98742" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[H]C([O-])=O" xsd:string [Term] id: CHEBI:62967 name: amorphous cellulose name: cellulose namespace: chebi_ontology def: "A (1->4)-beta-D-glucan (cellulose) in amorphous form with a structure consisting of several hundred to over ten thousand D-glucose residues joined by beta(1->4) glycosidic linkages." [] subset: 3_STAR xref: Wikipedia:Cellulose is_a: CDNO:0000008 ! insoluble dietary fibre is_a: CHEBI:18154 ! polysaccharide [Term] id: CHEBI:63005 name: sodium nitrate namespace: chebi_ontology def: "The inorganic nitrate salt of sodium." [] subset: 3_STAR synonym: "Chile saltpeter" RELATED [SUBMITTER] synonym: "Cubic niter" RELATED [ChemIDplus] synonym: "Niter" RELATED [ChemIDplus] synonym: "Nitrate de sodium" RELATED [ChemIDplus] synonym: "Nitrate of soda" RELATED [SUBMITTER] synonym: "Nitrate of soda" RELATED [ChemIDplus] synonym: "Nitric acid monosodium salt" RELATED [ChemIDplus] synonym: "Nitric acid sodium salt (1:1)" RELATED [ChemIDplus] synonym: "Nitric acid, sodium salt" RELATED [ChemIDplus] synonym: "sodium nitrate" EXACT IUPAC_NAME [IUPAC] synonym: "Sodium saltpeter" RELATED [ChemIDplus] synonym: "sodium trioxidonitrate(1-)" EXACT IUPAC_NAME [IUPAC] synonym: "Sodium(I) nitrate (1:1)" RELATED [ChemIDplus] xref: CAS:7631-99-4 {source="ChemIDplus"} xref: Reaxys:11343077 {source="Reaxys"} xref: Wikipedia:Sodium_nitrate is_a: CHEBI:38702 ! inorganic sodium salt property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "NNaO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/NO3.Na/c2-1(3)4;/q-1;+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VWDWKYIASSYTQR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "84.99470" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "84.97759" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[O-][N+]([O-])=O" xsd:string [Term] id: CHEBI:63017 name: sodium L-tartrate namespace: chebi_ontology def: "The organic sodium salt that is the disodium salt of L-tartaric acid." [] subset: 3_STAR synonym: "(R-(R*,R*))-2,3-dihydroxybutanedioic acid, disodium salt" RELATED [ChemIDplus] synonym: "Bisodium tartrate" RELATED [ChemIDplus] synonym: "disodium (2R,3R)-2,3-dihydroxybutanedioate" EXACT IUPAC_NAME [IUPAC] synonym: "disodium (R-(R*,R*))-2,3-dihydroxybutanedioate" RELATED [ChemIDplus] synonym: "Disodium L-(+)-tartrate" RELATED [ChemIDplus] synonym: "Disodium salt of L-(+)-tartaric acid" RELATED [ChemIDplus] synonym: "disodium tartrate" RELATED [SUBMITTER] synonym: "Sodium L-(+)-tartrate" RELATED [ChemIDplus] synonym: "Sodium tartrate" RELATED [ChEBI] synonym: "Tartaric acid, disodium salt" RELATED [ChemIDplus] xref: CAS:868-18-8 {source="ChemIDplus"} xref: Patent:CN101643409 xref: Reaxys:5319817 {source="Reaxys"} xref: Wikipedia:Sodium_tartrate is_a: CHEBI:38700 ! organic sodium salt property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H4Na2O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H6O6.2Na/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;2*+1/p-2/t1-,2-;;/m1../s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HELHAJAZNSDZJO-OLXYHTOASA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "194.05050" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "193.98033" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[Na+].O[C@H]([C@@H](O)C([O-])=O)C([O-])=O" xsd:string [Term] id: CHEBI:63316 name: potassium formate namespace: chebi_ontology def: "The potassium salt of formic acid." [] subset: 3_STAR synonym: "Formic acid potassium salt" RELATED [SUBMITTER] synonym: "Formic acid, K salt" RELATED [ChemIDplus] synonym: "HCO2K" RELATED [ChEBI] synonym: "HCOOK" RELATED [ChEBI] synonym: "potassium formate" EXACT IUPAC_NAME [IUPAC] synonym: "potassium formiate" RELATED [ChEBI] xref: Beilstein:3623272 {source="Beilstein"} xref: CAS:590-29-4 {source="ChemIDplus"} xref: Patent:CN101589014 xref: Patent:US2010087678 xref: PMID:18412389 {source="Europe PMC"} xref: PMID:19091320 {source="Europe PMC"} xref: PMID:19775157 {source="Europe PMC"} xref: Reaxys:3623272 {source="Reaxys"} xref: Wikipedia:Potassium_formate is_a: CHEBI:50394 ! organic potassium salt property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "CHKO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/CH2O2.K/c2-1-3;/h1H,(H,2,3);/q;+1/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WFIZEGIEIOHZCP-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "84.11570" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "83.96136" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[K+].[H]C([O-])=O" xsd:string [Term] id: CHEBI:6359 name: lactulose namespace: chebi_ontology alt_id: CHEBI:302765 def: "A synthetic galactosylfructose disaccharide used in the treatment of constipation and hepatic encephalopathy." [] subset: 3_STAR synonym: "4-O-beta-D-galactopyranosyl-beta-D-fructofuranose" EXACT IUPAC_NAME [IUPAC] synonym: "4-O-beta-D-Galactopyranosyl-D-fructofuranose" RELATED [ChemIDplus] synonym: "4-O-beta-D-Galactopyranosyl-D-fructose" RELATED [ChemIDplus] synonym: "D-Lactulose" RELATED [ChemIDplus] synonym: "lactulosa" RELATED INN [ChemIDplus] synonym: "Lactulose" EXACT [KEGG_COMPOUND] synonym: "lactulose" RELATED INN [ChemIDplus] synonym: "lactulosum" RELATED INN [ChemIDplus] xref: Beilstein:93773 {source="Beilstein"} xref: CAS:4618-18-2 {source="ChemIDplus"} xref: CAS:4618-18-2 {source="KEGG COMPOUND"} xref: DrugBank:DB00581 xref: HMDB:HMDB0000740 xref: KEGG:C07064 xref: KEGG:D00352 xref: KEGG:G03573 xref: PMID:11020286 {source="ChEMBL"} xref: PMID:12927899 {source="Europe PMC"} xref: PMID:15735433 {source="Europe PMC"} xref: PMID:23353997 {source="Europe PMC"} xref: PMID:2432147 {source="Europe PMC"} xref: PMID:25300228 {source="Europe PMC"} xref: PMID:25466139 {source="Europe PMC"} xref: PMID:25586470 {source="Europe PMC"} xref: PMID:25700936 {source="Europe PMC"} xref: PMID:25800379 {source="Europe PMC"} xref: PMID:25835949 {source="Europe PMC"} xref: PMID:25916046 {source="Europe PMC"} xref: PMID:25935392 {source="Europe PMC"} xref: Wikipedia:Lactulose is_a: CHEBI:36233 ! disaccharide property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H22O11" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8-,9-,10+,11+,12-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JCQLYHFGKNRPGE-FCVZTGTOSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "342.29650" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "342.11621" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:64482 name: phosphatidylcholine namespace: chebi_ontology def: "A glycerophosphocholine that is glycero-3-phosphocholine bearing two acyl substituents at positions 1 and 2." [] subset: 3_STAR synonym: "1,2-diacyl-glycero-3-phosphocholine" RELATED [UniProt] synonym: "2,3-bis(acyloxy)propyl 2-(trimethylammonio)ethyl phosphate" EXACT IUPAC_NAME [IUPAC] synonym: "a phosphatidylcholine (0)" RELATED [ChEBI] xref: PMID:2474544 {source="Europe PMC"} is_a: CHEBI:16247 ! phospholipid is_a: CHEBI:190516 ! organic phosphate compound property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H18NO8PR2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "311.226" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "311.07700" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[N+](C)(C)CCOP([O-])(=O)OCC(COC([*])=O)OC([*])=O" xsd:string [Term] id: CHEBI:6457 name: lignin namespace: chebi_ontology alt_id: CHEBI:25037 def: "A polyphenylpropanoid derived from three monolignol monomers: trans-p-coumaryl alcohol, coniferol and trans-sinapyl alcohol. There is extensive cross-linking and no defined primary structure." [] subset: 3_STAR xref: Wikipedia:Lignin is_a: CHEBI:26004 ! phenylpropanoid [Term] id: CHEBI:64709 name: organic acid namespace: chebi_ontology def: "Any organic molecular entity that is acidic and contains carbon in covalent linkage." [] subset: 3_STAR synonym: "organic acids" RELATED [ChEBI] is_a: CDNO:0000013 ! plant secondary metabolite [Term] id: CHEBI:65242 name: sodium chlorate namespace: chebi_ontology def: "An inorganic sodium salt that has chlorate as the counter-ion. An oxidising agent, it is used for bleaching paper and as a herbicide. It is also used in the manufacture of dyes, explosives and matches." [] subset: 3_STAR synonym: "Chlorate de sodium" RELATED [ChemIDplus] synonym: "Chlorate salt of sodium" RELATED [ChemIDplus] synonym: "Chloric acid, sodium salt" RELATED [ChemIDplus] synonym: "Chlorsaure" RELATED [ChemIDplus] synonym: "sodium chlorate" EXACT IUPAC_NAME [IUPAC] xref: CAS:7775-09-9 {source="ChemIDplus"} xref: CAS:7775-09-9 {source="KEGG COMPOUND"} xref: KEGG:C18765 xref: PMID:22205670 {source="Europe PMC"} xref: PMID:22366135 {source="Europe PMC"} xref: PPDB:1126 xref: Reaxys:11332523 {source="Reaxys"} xref: Wikipedia:Sodium_chlorate is_a: CHEBI:38702 ! inorganic sodium salt property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "ClNaO3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/ClHO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YZHUMGUJCQRKBT-UHFFFAOYSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "106.44100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "105.94337" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Na+].[O-]Cl(=O)=O" xsd:string [Term] id: CHEBI:65327 name: D-xylose namespace: chebi_ontology def: "Any xylose with D-configuration." [] subset: 3_STAR xref: HMDB:HMDB0000098 is_a: CHEBI:18222 ! xylose property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H10O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "150.130" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "150.05282" xsd:string [Term] id: CHEBI:6570 name: lupeol namespace: chebi_ontology alt_id: CHEBI:132397 def: "A pentacyclic triterpenoid that is lupane in which the hydrogen at the 3beta position is substituted by a hydroxy group. It occurs in the skin of lupin seeds, as well as in the latex of fig trees and of rubber plants. It is also found in many edible fruits and vegetables." [] subset: 3_STAR synonym: "(3beta)-lup-20(29)-en-3-ol" EXACT IUPAC_NAME [IUPAC] synonym: "beta-viscol" RELATED [ChemIDplus] synonym: "fagarasterol" RELATED [ChemIDplus] synonym: "lupeol" EXACT [UniProt] synonym: "monogynol B" RELATED [ChemIDplus] xref: CAS:545-47-1 {source="KEGG COMPOUND"} xref: CAS:545-47-1 {source="ChemIDplus"} xref: KEGG:C08628 xref: KNApSAcK:C00003749 xref: MetaCyc:CPD-90 xref: PMID:10930257 {source="Europe PMC"} xref: PMID:16445885 {source="Europe PMC"} xref: PMID:17107079 {source="Europe PMC"} xref: PMID:21118697 {source="Europe PMC"} xref: PMID:21467639 {source="Europe PMC"} xref: PMID:21712449 {source="Europe PMC"} xref: PMID:9883589 {source="Europe PMC"} xref: Pubchem:259846 {source="SUBMITTER"} xref: Reaxys:2063497 {source="Reaxys"} is_a: CHEBI:15889 ! sterol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C30H50O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29+,30+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MQYXUWHLBZFQQO-QGTGJCAVSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "426.71740" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "426.38617" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@]1(C)CC[C@@H](C(C)=C)[C@]21[H]" xsd:string [Term] id: CHEBI:66046 name: 6-hydroxyluteolin 7-O-laminaribioside namespace: chebi_ontology def: "A glycosyloxyflavone that is 6-hydroxyluteolin attached to a beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. Isolated from Globularia cordifolia and Globularia alypum, it exhibits antioxidant activity." [] subset: 3_STAR synonym: "2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-4-oxo-4H-chromen-7-yl 3-O-beta-D-glucopyranosyl-beta-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "5,6,3',4'-tetrahydroxyflavone-7-O-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranoside" RELATED [ChEBI] xref: PMID:16124783 {source="Europe PMC"} xref: Reaxys:15769702 {source="Reaxys"} is_a: CHEBI:42491 ! flavone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H30O17" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C27H30O17/c28-6-15-19(34)22(37)23(38)26(42-15)44-25-20(35)16(7-29)43-27(24(25)39)41-14-5-13-17(21(36)18(14)33)11(32)4-12(40-13)8-1-2-9(30)10(31)3-8/h1-5,15-16,19-20,22-31,33-39H,6-7H2/t15-,16-,19-,20-,22+,23-,24-,25+,26+,27-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YNOSNIYDHUBEBU-HGKFCXGKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "626.51690" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "626.14830" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@@H](Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccc(O)c(O)c2)[C@@H]1O" xsd:string [Term] id: CHEBI:66103 name: jaceosidin namespace: chebi_ontology def: "A trihydroxyflavone that is flavone with hydroxy groups at positions 5, 7 and 4' and methoxy groups at positions 3' and 6. Isolated from Salvia tomentosa and Artemisia asiatica, it exhibits anti-allergic, anti-inflammatory and apoptosis inducing activties." [] subset: 3_STAR synonym: "4',5,7-trihydroxy-3',6-dimethoxyflavone" RELATED [ChEBI] synonym: "5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-1-Benzopyran-4-one" RELATED [ChEBI] synonym: "5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] xref: CAS:18085-97-7 {source="ChemIDplus"} xref: LIPID_MAPS_instance:LMPK12111235 {source="LIPID MAPS"} xref: Patent:CN102697767 xref: Patent:KR20060121623 xref: Patent:KR20090079608 xref: PMID:16450301 {source="Europe PMC"} xref: PMID:17404058 {source="Europe PMC"} xref: PMID:17404061 {source="Europe PMC"} xref: PMID:17996677 {source="Europe PMC"} xref: PMID:18769496 {source="Europe PMC"} xref: PMID:22619052 {source="Europe PMC"} xref: Reaxys:1265265 {source="Reaxys"} is_a: CHEBI:42491 ! flavone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H14O7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H14O7/c1-22-13-5-8(3-4-9(13)18)12-6-10(19)15-14(24-12)7-11(20)17(23-2)16(15)21/h3-7,18,20-21H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GLAAQZFBFGEBPS-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "330.28890" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "330.07395" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cc(ccc1O)-c1cc(=O)c2c(O)c(OC)c(O)cc2o1" xsd:string [Term] id: CHEBI:66331 name: xanthohumol namespace: chebi_ontology def: "A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 4', a methoxy group at position 6' and a prenyl group at position 3'. Isolated from Humulus lupulus, it induces apoptosis in human malignant glioblastoma cells." [] subset: 3_STAR synonym: "(2E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one" EXACT IUPAC_NAME [IUPAC] synonym: "2',4,4'-trihydroxy-6'-methoxy-3'-prenylchalcone" RELATED [ChEBI] xref: CAS:6754-58-1 {source="KEGG COMPOUND"} xref: CAS:6754-58-1 {source="ChemIDplus"} xref: HMDB:HMDB0037479 xref: KEGG:C16417 xref: KNApSAcK:C00007099 xref: LIPID_MAPS_instance:LMPK12120294 {source="LIPID MAPS"} xref: MetaCyc:CPD-7119 xref: Patent:EP2579862 xref: Patent:WO2009126320 xref: PMID:14670594 {source="Europe PMC"} xref: PMID:15550272 {source="Europe PMC"} xref: PMID:15679315 {source="Europe PMC"} xref: PMID:15723722 {source="Europe PMC"} xref: PMID:19634869 {source="Europe PMC"} xref: PMID:22111577 {source="Europe PMC"} xref: Reaxys:2226282 {source="Reaxys"} xref: Wikipedia:Xanthohumol is_a: CHEBI:23086 ! chalcone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H22O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ORXQGKIUCDPEAJ-YRNVUSSQSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "354.39640" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "354.14672" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)\\C=C\\c1ccc(O)cc1" xsd:string [Term] id: CHEBI:6636 name: magnesium dichloride namespace: chebi_ontology def: "A magnesium salt comprising of two chlorine atoms bound to a magnesium atom." [] subset: 3_STAR synonym: "[MgCl2]" RELATED [MolBase] synonym: "Magnesium chloride" RELATED [KEGG_COMPOUND] synonym: "Magnesium chloride anhydrous" RELATED [KEGG_COMPOUND] synonym: "magnesium dichloride" EXACT IUPAC_NAME [IUPAC] synonym: "Magnesiumchlorid" RELATED [ChEBI] synonym: "MgCl2" RELATED [IUPAC] xref: CAS:7786-30-3 {source="KEGG COMPOUND"} xref: CAS:7786-30-3 {source="ChemIDplus"} xref: CAS:7786-30-3 {source="NIST Chemistry WebBook"} xref: Gmelin:9305 {source="Gmelin"} xref: KEGG:C07755 xref: MolBase:1868 xref: Reaxys:8128169 {source="Reaxys"} is_a: CHEBI:190297 ! inorganic magnesium salt is_a: CHEBI:36093 ! inorganic chloride property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "Cl2Mg" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2ClH.Mg/h2*1H;/q;;+2/p-2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "TWRXJAOTZQYOKJ-UHFFFAOYSA-L" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "95.21040" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "93.92275" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Mg++].[Cl-].[Cl-]" xsd:string [Term] id: CHEBI:6650 name: malic acid namespace: chebi_ontology def: "A 2-hydroxydicarboxylic acid that is succinic acid in which one of the hydrogens attached to a carbon is replaced by a hydroxy group." [] subset: 3_STAR synonym: "2-Hydroxybutanedioic acid" RELATED [KEGG_COMPOUND] synonym: "2-hydroxybutanedioic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2-Hydroxyethane-1,2-dicarboxylic acid" RELATED [HMDB] synonym: "2-Hydroxysuccinic acid" RELATED [HMDB] synonym: "Aepfelsaeure" RELATED [ChEBI] synonym: "alpha-hydroxysuccinic acid" RELATED [HMDB] synonym: "apple acid" RELATED [NIST_Chemistry_WebBook] synonym: "DL-Malic acid" RELATED [HMDB] synonym: "E296" RELATED [ChEBI] synonym: "H2mal" RELATED [IUPAC] synonym: "hydroxybutanedioic acid" RELATED [NIST_Chemistry_WebBook] synonym: "hydroxysuccinic acid" RELATED [NIST_Chemistry_WebBook] synonym: "Malic acid" EXACT [KEGG_COMPOUND] xref: Beilstein:1723539 {source="Beilstein"} xref: CAS:6915-15-7 {source="ChemIDplus"} xref: CAS:6915-15-7 {source="NIST Chemistry WebBook"} xref: Gmelin:3325 {source="Gmelin"} xref: HMDB:HMDB0000744 xref: KEGG:C00711 xref: KEGG:D04843 xref: MetaCyc:RS-Malate xref: PMID:15767321 {source="Europe PMC"} xref: PMID:17190852 {source="Europe PMC"} xref: PMID:17439666 {source="Europe PMC"} xref: PMID:17896933 {source="Europe PMC"} xref: PMID:19743855 {source="Europe PMC"} xref: PMID:22411507 {source="Europe PMC"} xref: PPDB:1352 xref: Reaxys:1723539 {source="Reaxys"} xref: Wikipedia:Malic_acid is_a: CHEBI:64709 ! organic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C4H6O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BJEPYKJPYRNKOW-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "134.08744" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "134.02152" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(CC(O)=O)C(O)=O" xsd:string [Term] id: CHEBI:6674 name: malvidin namespace: chebi_ontology def: "An anthocyanidin cation that is delphinidin carrying methyl substituents at positions 3' and 5'." [] subset: 3_STAR synonym: "3',5'-Dimethoxy-3,4',5,7-tetrahydroxyflavylium acid anion" RELATED [ChemIDplus] synonym: "3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenium" EXACT IUPAC_NAME [IUPAC] synonym: "Malvidin" EXACT [KEGG_COMPOUND] xref: Beilstein:1691742 {source="ChemIDplus"} xref: CAS:10463-84-0 {source="ChemIDplus"} xref: KEGG:C08716 xref: KNApSAcK:C00020647 xref: LIPID_MAPS_instance:LMPK12010004 {source="LIPID MAPS"} xref: MetaCyc:CPD-15051 xref: PMID:23755222 {source="Europe PMC"} xref: Reaxys:1691742 {source="Reaxys"} xref: Wikipedia:Malvidin is_a: CHEBI:47916 ! flavonoid property_value: http://purl.obolibrary.org/obo/chebi/charge "+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H15O7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17/h3-7H,1-2H3,(H3-,18,19,20,21)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KZMACGJDUUWFCH-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "331.29680" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "331.08123" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cc(cc(OC)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O" xsd:string [Term] id: CHEBI:66773 name: (2S)-poncirin namespace: chebi_ontology alt_id: CHEBI:8332 def: "A flavanone glycoside that is 4'-methoxy-5,7-dihydroxyflavanone attached to a neohesperidose (alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranose) residue via a glycosidic linkage. It has been isolated from the fruits of Poncirus trifoliata and exhibits inhibitory activity against liopolysaccharide (LPS)-induced prostaglandin E2 and interleukin-6 (IL-6) production." [] subset: 3_STAR synonym: "(2S)-5-hydroxy-2-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "Citrifolioside" RELATED [HMDB] synonym: "Isosakuranetin 7-O-neohesperidoside" RELATED [KEGG_COMPOUND] synonym: "Isosakuranetin-7-O-beta-D-neohesperidoside" RELATED [HMDB] synonym: "poncirin" RELATED [] xref: AGR:IND500894135 {source="Europe PMC"} xref: CAS:14941-08-3 {source="ChemIDplus"} xref: CAS:14941-08-3 {source="KEGG COMPOUND"} xref: HMDB:HMDB0037487 xref: KEGG:C09830 xref: KNApSAcK:C00000995 xref: PMID:17666859 {source="Europe PMC"} xref: Reaxys:74301 {source="Reaxys"} xref: Wikipedia:Poncirin is_a: CHEBI:5070 ! flavanone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C28H34O14" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3/t11-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NLAWPKPYBMEWIR-SKYQDXIQSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "594.56120" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "594.19486" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc2O1" xsd:string [Term] id: CHEBI:67016 name: tetrahydrofolate namespace: chebi_ontology def: "A folate obtained by deprotonation of any tetrahydrofolic acid." [] subset: 3_STAR synonym: "tetrahydrofolate anion" RELATED [ChEBI] synonym: "tetrahydrofolate anions" RELATED [ChEBI] synonym: "tetrahydrofolates" RELATED [ChEBI] is_a: CHEBI:176842 ! vitamin B9 [Term] id: CHEBI:67188 name: 9-cis-beta-carotene name: 9-cis-β-carotene namespace: chebi_ontology def: "A carotenoid having the structure of beta-carotene but with a cis double bond at the 9,10-position." [] subset: 3_STAR synonym: "(9Z)-beta-carotene" RELATED [ChEBI] synonym: "9-cis-beta,beta-carotene" EXACT IUPAC_NAME [IUPAC] synonym: "9-cis-beta-carotene" EXACT [UniProt] synonym: "beta-carotene-cis" EXACT [] synonym: "neo-beta-carotene U" RELATED [ChEBI] xref: KEGG:C20484 xref: MetaCyc:CPD-14646 xref: PMID:11779551 {source="Europe PMC"} xref: PMID:15607227 {source="Europe PMC"} xref: PMID:16356710 {source="Europe PMC"} xref: PMID:18052099 {source="Europe PMC"} xref: PMID:19053383 {source="Europe PMC"} xref: PMID:19562494 {source="Europe PMC"} xref: PMID:19955196 {source="Europe PMC"} xref: PMID:20359248 {source="Europe PMC"} xref: PMID:22422982 {source="SUBMITTER"} xref: PMID:29666392 {source="Europe PMC"} xref: PMID:7666004 {source="Europe PMC"} xref: PMID:7762525 {source="Europe PMC"} xref: PMID:7769976 {source="Europe PMC"} xref: PMID:8053676 {source="Europe PMC"} xref: PMID:8694017 {source="Europe PMC"} is_a: CHEBI:23044 ! carotenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C40H56" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21-,34-22+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OENHQHLEOONYIE-BVZAMQQESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "536.87260" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "536.43820" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(/C=C/C=C(C)\\C=C\\C1=C(C)CCCC1(C)C)=C\\C=C\\C=C(C)\\C=C\\C=C(C)\\C=C\\C1=C(C)CCCC1(C)C" xsd:string [Term] id: CHEBI:67347 name: (+)-pisatin namespace: chebi_ontology alt_id: CHEBI:8250 def: "A member of the class of pterocarpans that is the 3-O-methyl ether of (+)-6a-hydroxymaackiain (the 6aR,12aR stereoisomer). A phytoalexin found in pods of garden peas (Pisum sativum) and other plants of the pea family, including Tephrosia candida." [] subset: 3_STAR synonym: "(+)-pisatin" EXACT [UniProt] synonym: "(6aR,12aR)-3-methoxy-6H-[1.3]-dioxolo[5,6][1]benzofuro[3,2-c]chromen-6a(12aH)-ol" EXACT IUPAC_NAME [IUPAC] synonym: "(6aR,cis)-3-methoxy-6H-(1,3)dioxolo(3,2-c)(1)benzopyran-6a(12aH)-ol" RELATED [ChemIDplus] synonym: "(6aR,cis)-6a-hydroxy-3-methoxy-8,9-methylenedioxy peterocarpan" RELATED [ChEBI] synonym: "6a-hydroxy-3-methoxy-8,9-methylenedioxypterocarpan" RELATED [ChEBI] synonym: "Pisatin" RELATED [KEGG_COMPOUND] xref: CAS:469-01-2 {source="ChemIDplus"} xref: CAS:469-01-2 {source="KEGG COMPOUND"} xref: HMDB:HMDB0033732 xref: KEGG:C10516 xref: KNApSAcK:C00000651 xref: LIPID_MAPS_instance:LMPK12070126 {source="LIPID MAPS"} xref: MetaCyc:CPD-3944 xref: PMID:13734533 {source="Europe PMC"} xref: PMID:17707445 {source="Europe PMC"} xref: PMID:21510635 {source="Europe PMC"} xref: Reaxys:5856502 {source="Reaxys"} is_a: CHEBI:26377 ! pterocarpans property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C17H14O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H14O6/c1-19-9-2-3-10-12(4-9)20-7-17(18)11-5-14-15(22-8-21-14)6-13(11)23-16(10)17/h2-6,16,18H,7-8H2,1H3/t16-,17+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LZMRDTLRSDRUSU-SJORKVTESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "314.28950" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "314.07904" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12Oc3cc4OCOc4cc3[C@@]1(O)COc1cc(OC)ccc21" xsd:string [Term] id: CHEBI:68329 name: syringic acid namespace: chebi_ontology alt_id: CHEBI:9379 def: "A dimethoxybenzene that is 3,5-dimethyl ether derivative of gallic acid." [] subset: 3_STAR synonym: "4-hydroxy-3,5-dimethoxybenzoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Cedar acid" RELATED [ChEBI] synonym: "Gallic acid 3,5-dimethyl ether" RELATED [KEGG_COMPOUND] xref: CAS:530-57-4 {source="ChemIDplus"} xref: CAS:530-57-4 {source="KEGG COMPOUND"} xref: KEGG:C10833 xref: KNApSAcK:C00002674 xref: LINCS:LSM-19009 xref: PMID:21192716 {source="Europe PMC"} xref: PMID:21261296 {source="Europe PMC"} xref: Reaxys:2115262 {source="Reaxys"} xref: Wikipedia:Syringic_acid is_a: CHEBI:166890 ! phenolic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H10O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JMSVCTWVEWCHDZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "198.17270" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "198.05282" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cc(cc(OC)c1O)C(O)=O" xsd:string [Term] id: CHEBI:68428 name: maltitol namespace: chebi_ontology def: "An alpha-D-glucoside consisting of D-glucitol having an alpha-D-glucosyl residue attached at the 4-position. Used as a sugar substitute." [] subset: 3_STAR synonym: "(2S,3R,4R,5R)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}hexane-1,2,3,5,6-pentol" RELATED [IUPAC] synonym: "4-O-alpha-D-glucopyranosyl-D-glucitol" RELATED [IUPAC] synonym: "alpha-D-Glc-(1->4)-D-Glc-ol" RELATED [ChEBI] synonym: "alpha-D-Glcp-(1->4)-D-Glc-ol" RELATED [ChEBI] synonym: "alpha-D-glucopyranosyl-(1->4)-D-glucitol" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-D-glucosyl-(1->4)-D-glucitol" RELATED [ChEBI] synonym: "D-Maltitol" RELATED [ChemIDplus] synonym: "WURCS=2.0/2,2,1/[h2122h][a2122h-1a_1-5]/1-2/a4-b1" RELATED [GlyTouCan] xref: CAS:585-88-6 {source="ChemIDplus"} xref: GlyGen:G24381FI xref: GlyTouCan:G24381FI xref: HMDB:HMDB0002928 xref: KEGG:D04845 xref: MetaCyc:CPD-3609 xref: PMID:15063216 {source="Europe PMC"} xref: PMID:20370946 {source="Europe PMC"} xref: PMID:20465435 {source="Europe PMC"} xref: PMID:21179684 {source="Europe PMC"} xref: PMID:21481716 {source="Europe PMC"} xref: PMID:21834103 {source="Europe PMC"} xref: PMID:21951305 {source="Europe PMC"} xref: PMID:22585934 {source="Europe PMC"} xref: PMID:22735334 {source="Europe PMC"} xref: Reaxys:89983 {source="Reaxys"} xref: Wikipedia:Maltitol is_a: CHEBI:26191 ! polyol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H24O11" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6+,7+,8+,9-,10+,11+,12+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VQHSOMBJVWLPSR-WUJBLJFYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "344.31240" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "344.13186" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO" xsd:string [Term] id: CHEBI:70082 name: myricitrin namespace: chebi_ontology alt_id: CHEBI:7054 def: "A glycosyloxyflavone that consists of myricetin attached to a alpha-L-rhamnopyranosyl residue at position 3 via a glycosidic linkage. Isolated from Myrica cerifera, it exhibits anti-allergic activity." [] subset: 3_STAR synonym: "3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one" RELATED [ChEBI] synonym: "5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "myricetin 3-O-alpha-L-rhamnopyranoside" RELATED [ChEBI] synonym: "Myricetin 3-O-rhamnoside" RELATED [KEGG_COMPOUND] synonym: "Myricitrin" EXACT [KEGG_COMPOUND] synonym: "Myricitroside" RELATED [ChemIDplus] xref: CAS:17912-87-7 {source="ChemIDplus"} xref: CAS:17912-87-7 {source="KEGG COMPOUND"} xref: HMDB:HMDB0034360 xref: KEGG:C10108 xref: KNApSAcK:C00005730 xref: LIPID_MAPS_instance:LMPK12112436 {source="LIPID MAPS"} xref: Patent:US2012015090 xref: Patent:WO2010110334 xref: PMID:21141876 {source="Europe PMC"} xref: PMID:21315136 {source="Europe PMC"} xref: PMID:21328132 {source="Europe PMC"} xref: PMID:21689712 {source="Europe PMC"} xref: PMID:23123269 {source="Europe PMC"} xref: PMID:23265454 {source="Europe PMC"} xref: Reaxys:69806 {source="Reaxys"} xref: Wikipedia:Myricitrin is_a: CHEBI:42491 ! flavone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H20O12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3/t6-,14-,17+,18+,21-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DCYOADKBABEMIQ-OWMUPTOHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "464.37630" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "464.09548" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2cc(O)c(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:70253 name: 4'-O-methylepigallocatechin namespace: chebi_ontology subset: 2_STAR synonym: "(2R,3R)-2-(3,5-dihydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol" RELATED [ChEBI] synonym: "Ourateacatechin" RELATED [ChEBI] xref: PMID:21080642 {source="Europe PMC"} is_a: CHEBI:23053 ! catechin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H16O7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H16O7/c1-22-16-11(19)2-7(3-12(16)20)15-13(21)6-9-10(18)4-8(17)5-14(9)23-15/h2-5,13,15,17-21H,6H2,1H3/t13-,15-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ITDYPNOEEHONAH-UKRRQHHQSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "320.29400" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "320.08960" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1c(O)cc(cc1O)[C@H]1Oc2cc(O)cc(O)c2C[C@H]1O" xsd:string [Term] id: CHEBI:70254 name: 3'-O-methylepicatechin namespace: chebi_ontology subset: 2_STAR synonym: "(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol" RELATED [ChEBI] synonym: "Symplocosidin" RELATED [ChEBI] xref: HMDB:HMDB0029175 xref: PMID:21080642 {source="Europe PMC"} is_a: CHEBI:23053 ! catechin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H16O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H16O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NJHJXXLBWQXMRO-CZUORRHYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "304.29460" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "304.09469" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cc(ccc1O)[C@H]1Oc2cc(O)cc(O)c2C[C@H]1O" xsd:string [Term] id: CHEBI:70255 name: (-)-epicatechin-3-O-gallate namespace: chebi_ontology def: "A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of epicatechin. A natural product found in Parapiptadenia rigida." [] subset: 3_STAR synonym: "(-)-cis-3,3',4',5,7-pentahydroxyflavane 3-gallate" RELATED [HMDB] synonym: "3-gallate(-)-epicatechol" RELATED [HMDB] synonym: "3-O-galloylepicatechin" RELATED [HMDB] synonym: "[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate" EXACT IUPAC_NAME [IUPAC] synonym: "ECG" RELATED [HMDB] synonym: "Teatannin" RELATED [HMDB] xref: AGR:IND43993834 {source="Europe PMC"} xref: CAS:1257-08-5 {source="ChemIDplus"} xref: HMDB:HMDB0037944 xref: LINCS:LSM-3115 xref: PMID:18560275 {source="Europe PMC"} xref: PMID:21080642 {source="Europe PMC"} xref: Reaxys:65603 {source="Reaxys"} xref: Wikipedia:Epicatechin_gallate is_a: CHEBI:23053 ! catechin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C22H18O10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LSHVYAFMTMFKBA-TZIWHRDSSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "442.37230" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "442.09000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1" xsd:string [Term] id: CHEBI:70256 name: 4'-O-methylepigallocatechin-3-O-gallate namespace: chebi_ontology subset: 2_STAR synonym: "[(2R,3R)-2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate" RELATED [ChEBI] xref: PMID:21080642 {source="Europe PMC"} is_a: CHEBI:23053 ! catechin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C23H20O11" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C23H20O11/c1-32-22-16(28)2-9(3-17(22)29)21-19(8-12-13(25)6-11(24)7-18(12)33-21)34-23(31)10-4-14(26)20(30)15(27)5-10/h2-7,19,21,24-30H,8H2,1H3/t19-,21-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NPUWDJQZPQKPAA-TZIWHRDSSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "472.39830" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "472.10056" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1c(O)cc(cc1O)[C@H]1Oc2cc(O)cc(O)c2C[C@H]1OC(=O)c1cc(O)c(O)c(O)c1" xsd:string [Term] id: CHEBI:7044 name: myoglobin namespace: chebi_ontology comment: Further classification will be integrated for this class subset: 3_STAR synonym: "Myoglobin" EXACT [KEGG_COMPOUND] synonym: "vertebrate myoglobin" RELATED [COMe] xref: COMe:PRX000322 xref: KEGG:C05782 is_a: CHEBI:36080 ! protein [Term] id: CHEBI:71222 name: phlorotannin namespace: chebi_ontology def: "A type of tannin usually found in brown algae such as kelps and rockweeds. Unlike the hydrolysable or condensed tannins, these compounds are oligomers of phloroglucinol." [] subset: 3_STAR synonym: "phlorotannins" RELATED [ChEBI] xref: Wikipedia:Phlorotannin is_a: CHEBI:26848 ! tannin [Term] id: CHEBI:71225 name: (-)-gallocatechin namespace: chebi_ontology def: "A a gallocatechin that has (2S,3R)-configuration." [] subset: 3_STAR synonym: "(2S,3R)-(-)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol" RELATED [ChEBI] synonym: "(2S,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol" EXACT IUPAC_NAME [IUPAC] synonym: "(2S,3R)-flavan-3,3',4',5,5',7-hexol" RELATED [ChEBI] synonym: "(2S,3R)-flavan-3,5,7,3',4',5'-hexol" RELATED [ChEBI] synonym: "(2S,3R)-gallocatechin" RELATED [ChEBI] synonym: "ent-gallocatechin" RELATED [ChEBI] xref: Chemspider:8058656 xref: Wikipedia:Gallocatechol is_a: CHEBI:23053 ! catechin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H14O7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XMOCLSLCDHWDHP-DOMZBBRYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "306.26750" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "306.07395" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1" xsd:string [Term] id: CHEBI:71230 name: dihydrochalcone name: dihydrochalcones namespace: chebi_ontology def: "Any ketone that is 1,3-diphenylpropanone and its derivatives obtained by substitution." [] subset: 3_STAR is_a: CHEBI:47916 ! flavonoid [Term] id: CHEBI:71543 name: rotenoid namespace: chebi_ontology def: "Members of the class of tetrahydrochromenochromene that consists of a cis-fused tetrahydrochromeno[3,4-b]chromene skeleton and its substituted derivatives. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds." [] subset: 3_STAR synonym: "rotenoids" RELATED [ChEBI] xref: Wikipedia:Rotenoids is_a: CHEBI:50753 ! isoflavonoid [Term] id: CHEBI:71971 name: neoflavonoid namespace: chebi_ontology def: "Any 1-benzopyran with an aryl substituent at position 4. The term was originally restricted to natural products, but is now also used to describe semi-synthetic and fully synthetic compounds." [] subset: 3_STAR synonym: "4-aryl-1-benzopyran" RELATED [ChEBI] synonym: "4-aryl-1-benzopyrans" RELATED [ChEBI] synonym: "neoflavonoids" RELATED [ChEBI] xref: Wikipedia:Neoflavonoid is_a: CHEBI:72544 ! flavonoids [Term] id: CHEBI:72010 name: hydroxyflavan namespace: chebi_ontology alt_id: CHEBI:24036 def: "A member of the class of flavans in which one or more ring hydrogens are replaced by hydroxy groups." [] subset: 3_STAR synonym: "flavanols" RELATED [ChEBI] synonym: "flavanols" RELATED [] synonym: "hydroxyflavans" RELATED [ChEBI] is_a: CHEBI:47916 ! flavonoid [Term] id: CHEBI:72544 name: flavonoids namespace: chebi_ontology def: "Any organic molecular entity whose stucture is based on derivatives of a phenyl-substituted 1-phenylpropane possessing a C15 or C16 skeleton, or such a structure which is condensed with a C6-C3 lignan precursors. The term is a 'superclass' comprising all members of the classes of flavonoid, isoflavonoid, neoflavonoid, chalcones, dihydrochalcones, aurones, pterocarpan, coumestans, rotenoid, flavonolignan, homoflavonoid and flavonoid oligomers. Originally restricted to natural products, the term is also applied to synthetic compounds related to them." [] subset: 3_STAR synonym: "flavonoid" RELATED [ChEBI] xref: Wikipedia:Flavonoids is_a: CDNO:0000013 ! plant secondary metabolite [Term] id: CHEBI:72572 name: isoflavans namespace: chebi_ontology def: "Any isoflavonoid with a 3,4-dihydro-3-aryl-2H-1-benzopyran skeleton and its substituted derivatives." [] subset: 3_STAR is_a: CHEBI:50753 ! isoflavonoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15HOR13" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "197.168" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "197.00274" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]c1c([*])c([*])c(C2C([*])([*])Oc3c([*])c([*])c([*])c([*])c3C2([*])[*])c([*])c1[*]" xsd:string [Term] id: CHEBI:72577 name: coumestans namespace: chebi_ontology def: "Members of the class of benzofurochromene with a 6H-[1]benzofuro[3,2-c]chromene skeleton and its substituted derivatives. They are the 3,4-didehydroderivatives of pterocarpans." [] subset: 3_STAR synonym: "pterocarpenes" RELATED [ChEBI] is_a: CHEBI:50753 ! isoflavonoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15O2R10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "212.15930" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "211.98983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[*]c1c([*])c([*])c-2c(OC([*])([*])c3c-2oc2c([*])c([*])c([*])c([*])c32)c1[*]" xsd:string [Term] id: CHEBI:72578 name: coumestan namespace: chebi_ontology def: "A member of the class of coumestans that is 6H-[1]benzofuro[3,2-c]chromene substituted by an oxo group at position 6." [] subset: 3_STAR synonym: "6H-[1]benzofuro[3,2-c]chromen-6-one" EXACT IUPAC_NAME [IUPAC] synonym: "6H-Benzofuro(3,2-c)(1)benzopyran-6-one" RELATED [ChemIDplus] synonym: "Benzofurano(3',2':3,4)coumarin" RELATED [ChemIDplus] xref: CAS:479-12-9 {source="ChemIDplus"} xref: PMID:23311976 {source="Europe PMC"} xref: Reaxys:208415 {source="Reaxys"} xref: Wikipedia:Coumestan is_a: CHEBI:72577 ! coumestans property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H8O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H8O3/c16-15-13-9-5-1-3-7-11(9)17-14(13)10-6-2-4-8-12(10)18-15/h1-8H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JBIZUYWOIKFETJ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "236.22220" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "236.04734" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=c1oc2ccccc2c2oc3ccccc3c12" xsd:string [Term] id: CHEBI:72785 name: 9-hydroxy-5E,7Z,11Z,14Z-eicosatetraenoic