format-version: 1.2 data-version: releases/2024-08-13 subsetdef: 1_STAR "" subsetdef: 2_STAR "" subsetdef: 3_STAR "" subsetdef: attribute_slim "" subsetdef: common_anatomy "" subsetdef: EnvO-Lite-GSC "" subsetdef: goslim_agr "" 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_prokaryote "" 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: relational_slim "" subsetdef: ro-eco "" subsetdef: RO:0002259 "" subsetdef: scalar_slim "" subsetdef: upper_level "" idspace: dce http://purl.org/dc/elements/1.1/ idspace: dcterms http://purl.org/dc/terms/ idspace: foaf http://xmlns.com/foaf/0.1/ idspace: oboInOwl http://www.geneontology.org/formats/oboInOwl# idspace: skos http://www.w3.org/2004/02/skos/core# idspace: swrl http://www.w3.org/2003/11/swrl# idspace: swrla http://swrl.stanford.edu/ontologies/3.3/swrla.owl# idspace: swrlb http://www.w3.org/2003/11/swrlb# ontology: cdno property_value: dce:description "The CDNO provides structured terminologies to describe nutritional attributes of material entities that contribute to human diet. These terms are intended primarily to be associated with datasets that quantify concentration of chemical nutritional components derived from samples taken from any stage in the production of food raw materials (including from crops, livestock, fisheries) and through processing and supply chains. Additional knowledge associated with these dietary sources may be represented by terms that describe functional, physical and other attributes. Whilst recognising that dietary nutrients within food substrates may be present as complex and dynamic physical and chemical structures or mixtures, CDNO focuses on components typically quantified in an analytical chemistry laboratory. The primary CDNO class ‘dietary nutritional component’ contains hierarchical sets of terms organised to reflect commonly used classifications of chemical food composition. This class does not represent an exhaustive classification of chemical components, but focuses on structuring terms according to widely accepted categories. This class is independent of, but may be used in conjunction with, classes that describe ‘analytical methods’ for quantification, ‘physical properties’ or ‘dietary function’. Quantification data may be used and reported in research literature, to inform food composition tables and labelling, or for supply chain quality assurance and control. More specifically, terms within the ‘nutritional component concentration’ class may be used to represent quantification of components described in the ‘dietary nutritional component’ class. Concentration data are intended to be described in conjunction with post-composed metadata concepts, such as represented by the Food Ontology (FoodOn) ‘Food product by organism’, which derives from some food or anatomical entity and a NCBI organismal classification ontology (NCBITaxon) entity. The common vocabulary and relationships defined within CDNO should facilitate description, communication and exchange of material entity-derived nutritional composition datasets typically generated by analytical laboratories. The organisation of the vocabulary is structured to reflect common categories variously used by those involved in crop, livestock or other organismal production, associated R&D and breeding, as well as the food processing and supply sector, and nutritionists, inlcuding compilers and users of food composition databases. The CDNO therefore supports characterisation of genetic diversity and management of biodiversity collections, as well as sharing of knowledge relating to dietary composition between a wider set of researchers, breeders, farmers, processors and other stakeholders. Further development of the functional class should also assist in understanding how interactions between organismal genetic and environmental variation contribute to human diet and health in the farm to fork continuum." xsd:string property_value: dce:title "Compositional Dietary Nutrition Ontology" xsd:string property_value: dcterms:license https://creativecommons.org/licenses/by/3.0/ [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 or associated lignin that resists hydrolytic digestion in the small intestine of humans and other monogastric species, with fermentative digestion in the large intestine" [https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3614039/] is_a: CDNO:0000001 ! dietary chemical component [Term] id: CDNO:0000006 name: soluble dietary fibre def: "Dietary fibre which dissolves in water and is partially or completely 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] synonym: "water soluble dietary fibre" EXACT [] is_a: CDNO:0000005 ! dietary fibre is_a: CHEBI:16646 ! carbohydrate [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, with variable fermentability in the large bowel." [https://en.wikipedia.org/wiki/Dietary_fiber#cite_note-Oregon-3] synonym: "water insoluble dietary fibre" EXACT [] 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 relationship: has_role CHEBI:33229 ! vitamin (role) [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:0000032 name: high molecular weight dietary fibre def: "Fractions of dietary fibre calculated as the sum of water insoluble dietary fibre (IDF)(e.g. cellulose) and soluble dietary fibre that precipitates in the presence of 78% aqueous ethanol (SDFP)." [https://doi.org/10.1093/jaoacint/qsad051] is_a: CDNO:0000005 ! dietary fibre [Term] id: CDNO:0000033 name: fermentable dietary fibre def: "Dietary fibre of degree of polymerization (DP) > 2 resistant to digestion and absorption in the human small intestine but that is partially or completely fermented by the large bowel microbiota." [] is_a: CDNO:0000005 ! dietary fibre [Term] id: CDNO:0000034 name: non-fermentable dietary fibre def: "Dietary fibre that resists degradation by the bacteria in the colon, resulting in limited action by the large bowel microbiota." [] is_a: CDNO:0000005 ! dietary fibre [Term] id: CDNO:0000035 name: viscous dietary fibre def: "Soluble dietary fibre that dissolves in water to form semifluid solutions or a gel-like matrix, and exhibits high shear strength in aqueous solutions." [] is_a: CDNO:0000006 ! soluble dietary fibre [Term] id: CDNO:0000036 name: added dietary fibre def: "Dietary fibre which has been isolated or synthesized and is added to the diet of humans or other monogastric species that has beneficial physiological effects." [https://doi.org/10.17226/10161] is_a: CDNO:0000005 ! dietary fibre [Term] id: CDNO:0000037 name: prebiotic dietary fibre def: "Dietary fibre that is selectively utilized by host microorganisms conferring a health benefit." [https://doi.org/10.1038/nrgastro.2017.75] is_a: CDNO:0000005 ! dietary fibre [Term] id: CDNO:0000038 name: soluble dietary fibre precipitate (SDFP) def: "Water soluble dietary fibre which precipitates in 78% aqueous ethanol." [https://doi.org/10.1093/jaoacint/qsad051] is_a: CDNO:0000006 ! soluble dietary fibre [Term] id: CDNO:0000039 name: soluble dietary fibre soluble (SDFS) def: "Water soluble dietary fibre which remains soluble in 78% aqueous ethanol." [https://doi.org/10.1093/jaoacint/qsad051] is_a: CDNO:0000006 ! soluble dietary fibre [Term] id: CDNO:0000040 name: low molecular weight dietary fibre def: "Dietary fibre oligomers of degree of polymerization (DP) > 2 which remain soluble in 78% aqueous ethanol and are not digested by enzymes of the human digestive tract." [https://doi.org/10.1093/jaoacint/qsad051] is_a: CDNO:0000006 ! soluble dietary fibre [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: obsolete mannan derived from hemicellulose def: "OBSOLETE. Mannan which is derived from hemicellulose." [] comment: Term has been declared redundant by the The Fiber Ontology Working Group is_obsolete: true [Term] id: CDNO:0100006 name: obsolete xylan derived from hemicellulose def: "OBSOLETE. Xylan which is derived from hemicellulose." [] comment: Term has been declared redundant by the The Fiber Ontology Working Group is_obsolete: true [Term] id: CDNO:0100007 name: obsolete xyloglucan derived from hemicellulose def: "OBSOLETE. Xyloglucan which is derived from hemicellulose." [] comment: Term has been declared redundant by the The Fiber Ontology Working Group is_obsolete: true [Term] id: CDNO:0100008 name: obsolete glucomannan derived from hemicellulose def: "OBSOLETE. Glucomannan which is derived from hemicellulose." [] comment: Term has been declared redundant by the The Fiber Ontology Working Group is_obsolete: true [Term] id: CDNO:0100009 name: obsolete arabinoxylan derived from hemicellulose def: "OBSOLETE. Arabinoxylan which is derived from hemicellulose." [] comment: Term has been declared redundant by the The Fiber Ontology Working Group is_obsolete: true [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 amorphous cellulose def: "Glucose which is derived from amorphous 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 obsolete mannan derived from hemicellulose relationship: RO:0001000 CDNO:0100005 ! derives from obsolete 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 obsolete xylan derived from hemicellulose relationship: RO:0001000 CDNO:0100006 ! derives from obsolete 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 obsolete xylan derived from hemicellulose relationship: RO:0001000 CDNO:0100006 ! derives from obsolete 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 obsolete xyloglucan derived from hemicellulose relationship: RO:0001000 CDNO:0100007 ! derives from obsolete 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 obsolete xyloglucan derived from hemicellulose relationship: RO:0001000 CDNO:0100007 ! derives from obsolete 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 obsolete glucomannan derived from hemicellulose relationship: RO:0001000 CDNO:0100008 ! derives from obsolete 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 obsolete glucomannan derived from hemicellulose relationship: RO:0001000 CDNO:0100008 ! derives from obsolete 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 obsolete arabinoxylan derived from hemicellulose relationship: RO:0001000 CDNO:0100009 ! derives from obsolete 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 obsolete arabinoxylan derived from hemicellulose relationship: RO:0001000 CDNO:0100009 ! derives from obsolete 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_fdc_id:1051 xref: USDA_nutrient_nbr:255 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_fdc_id:1007 xref: USDA_nutrient_nbr:207 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_fdc_id:1005 xref: USDA_fdc_id:1050 xref: USDA_fdc_id:1072 xref: USDA_fdc_id:2039 xref: USDA_nutrient_nbr:205 xref: USDA_nutrient_nbr:205.2 xref: USDA_nutrient_nbr:284 xref: USDA_nutrient_nbr:956 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_fdc_id:1009 xref: USDA_nutrient_nbr:209 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 xref: USDA_fdc_id:1017 xref: USDA_nutrient_nbr:220 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 amorphous cellulose in material entity def: "The concentration of amorphous cellulose when measured in some material entity." [] synonym: "material entity amorphous cellulose concentration" EXACT [] xref: INFOODs:CELLU xref: USDA_fdc_id:1022 xref: USDA_nutrient_nbr:225 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 xref: USDA_fdc_id:1021 xref: USDA_nutrient_nbr:224 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_fdc_id:1403 xref: USDA_nutrient_nbr:806 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_fdc_id:1011 xref: USDA_nutrient_nbr:211 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_fdc_id:1012 xref: USDA_nutrient_nbr:212 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 xref: USDA_fdc_id:1034 xref: USDA_nutrient_nbr:238 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 xref: USDA_fdc_id:1074 xref: USDA_nutrient_nbr:286 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 xref: USDA_fdc_id:1073 xref: USDA_nutrient_nbr:285 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_fdc_id:1075 xref: USDA_nutrient_nbr:287 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 xref: USDA_fdc_id:1399 xref: USDA_nutrient_nbr:801 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_fdc_id:1081 xref: USDA_nutrient_nbr:294 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_fdc_id:1010 xref: USDA_nutrient_nbr:210 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_fdc_id:1014 xref: USDA_nutrient_nbr:214 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 xref: USDA_fdc_id:1069 xref: USDA_fdc_id:2064 xref: USDA_nutrient_nbr:281 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 xref: USDA_fdc_id:1076 xref: USDA_nutrient_nbr:288 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 xref: USDA_fdc_id:1077 xref: USDA_nutrient_nbr:289 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 xref: USDA_fdc_id:2063 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_fdc_id:1005 xref: USDA_nutrient_nbr:205 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_fdc_id:1063 xref: USDA_nutrient_nbr:269.3 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_fdc_id:1079 xref: USDA_fdc_id:2033 xref: USDA_nutrient_nbr:291 xref: USDA_nutrient_nbr:293 is_a: CDNO:0200001 ! concentration of dietary chemical component 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_fdc_id:1082 xref: USDA_fdc_id:2035 xref: USDA_fdc_id:2036 xref: USDA_fdc_id:2037 xref: USDA_nutrient_nbr:293.2 xref: USDA_nutrient_nbr:295 xref: USDA_nutrient_nbr:953 xref: USDA_nutrient_nbr:954 is_a: CDNO:0200005 ! concentration of carbohydrate in material entity 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_fdc_id:1009 xref: USDA_fdc_id:1071 xref: USDA_nutrient_nbr:209 xref: USDA_nutrient_nbr:283 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:FIBC xref: INFOODs:FIBGLCSINS xref: INFOODs:FIBGLCSINSOL xref: INFOODs:FIBINS xref: INFOODs:FIBTGLCS xref: USDA_fdc_id:1084 xref: USDA_fdc_id:2034 xref: USDA_nutrient_nbr:293.1 xref: USDA_nutrient_nbr:297 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_fdc_id:1003 xref: USDA_nutrient_nbr:203 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_fdc_id:1003 xref: USDA_nutrient_nbr:203 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_fdc_id:1222 xref: USDA_nutrient_nbr:513 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_fdc_id:1220 xref: USDA_nutrient_nbr:511 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 xref: USDA_fdc_id:1231 xref: USDA_nutrient_nbr:525 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_fdc_id:1223 xref: USDA_nutrient_nbr:514 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_fdc_id:1216 xref: USDA_fdc_id:1232 xref: USDA_nutrient_nbr:507 xref: USDA_nutrient_nbr:526 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_fdc_id:1224 xref: USDA_nutrient_nbr:515 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_fdc_id:1233 xref: USDA_nutrient_nbr:528 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_fdc_id:1225 xref: USDA_nutrient_nbr:516 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_fdc_id:1221 xref: USDA_nutrient_nbr:512 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_fdc_id:1228 xref: USDA_nutrient_nbr:521 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_fdc_id:1212 xref: USDA_nutrient_nbr:503 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_fdc_id:1213 xref: USDA_nutrient_nbr:504 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_fdc_id:1214 xref: USDA_nutrient_nbr:505 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_fdc_id:1215 xref: USDA_nutrient_nbr:506 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_fdc_id:1217 xref: USDA_nutrient_nbr:508 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_fdc_id:1226 xref: USDA_nutrient_nbr:517 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_fdc_id:1227 xref: USDA_nutrient_nbr:518 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_fdc_id:1211 xref: USDA_nutrient_nbr:502 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_fdc_id:1210 xref: USDA_nutrient_nbr:501 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_fdc_id:1218 xref: USDA_nutrient_nbr:509 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_fdc_id:1219 xref: USDA_nutrient_nbr:510 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_fdc_id:1004 xref: USDA_fdc_id:1085 xref: USDA_fdc_id:2044 xref: USDA_nutrient_nbr:204 xref: USDA_nutrient_nbr:298 xref: USDA_nutrient_nbr:950 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 ω−3 fatty acid in material entity def: "The concentration of ω−3 fatty acid when measured in some material entity." [] synonym: "material entity ω−3 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 ω−3 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 ω−3 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 ω−3 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 ω−3 fatty acid in material entity [Term] id: CDNO:0200097 name: concentration of α-linolenic acid in material entity def: "The concentration of α-linolenic acid when measured in some material entity." [] synonym: "material entity α-linolenic acid concentration" EXACT [] is_a: CDNO:0200092 ! concentration of ω−3 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 ω−3 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 ω−3 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 ω−3 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 ω−3 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 ω−3 fatty acid in material entity [Term] id: CDNO:0200103 name: concentration of ω−6 fatty acid in material entity def: "The concentration of ω−6 fatty acid when measured in some material entity." [] synonym: "material entity ω−6 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 ω−6 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 ω−6 fatty acid in material entity [Term] id: CDNO:0200106 name: concentration of γ-linolenic acid in material entity def: "The concentration of γ-linolenic acid when measured in some material entity." [] synonym: "material entity γ-linolenic acid concentration" EXACT [] is_a: CDNO:0200103 ! concentration of ω−6 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 ω−6 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 ω−6 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 ω−6 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 ω−6 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_fdc_id:1257 xref: USDA_nutrient_nbr:605 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 is_a: CDNO:0200216 ! concentration of alkaloid 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 xref: USDA_fdc_id:1255 xref: USDA_nutrient_nbr:603 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 xref: USDA_fdc_id:1256 xref: USDA_nutrient_nbr:604 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_fdc_id:1289 xref: USDA_nutrient_nbr:642 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_fdc_id:1253 xref: USDA_nutrient_nbr:601 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 phytosterols in material entity def: "The concentration of phytosterols when measured in some material entity." [] synonym: "material entity phytosterols concentration" EXACT [] xref: INFOODs:PHYSTR xref: USDA_fdc_id:1283 xref: USDA_nutrient_nbr:636 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 phytosterols 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_fdc_id:1296 xref: USDA_nutrient_nbr:649 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 xref: USDA_fdc_id:1295 xref: USDA_nutrient_nbr:648 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_fdc_id:1287 xref: USDA_nutrient_nbr:640 is_a: CDNO:0200125 ! concentration of phytosterols 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_fdc_id:1286 xref: USDA_nutrient_nbr:639 is_a: CDNO:0200125 ! concentration of phytosterols 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 xref: USDA_fdc_id:1284 xref: USDA_nutrient_nbr:637 is_a: CDNO:0200125 ! concentration of phytosterols 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 phytosterols 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 phytosterols 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_fdc_id:1285 xref: USDA_nutrient_nbr:638 is_a: CDNO:0200125 ! concentration of phytosterols 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 [] xref: USDA_fdc_id:2043 xref: USDA_nutrient_nbr:300 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_fdc_id:1087 xref: USDA_nutrient_nbr:301 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_fdc_id:1002 xref: USDA_nutrient_nbr:202 is_a: CDNO:0200137 ! concentration of macro element in material entity [Term] id: CDNO:0200142 name: concentration of phosphide(3−) in material entity def: "The concentration of phosphide(3−) when measured in some material entity." [] synonym: "material entity phosphide(3−) 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_fdc_id:1092 xref: USDA_nutrient_nbr:306 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_fdc_id:1093 xref: USDA_nutrient_nbr:307 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_fdc_id:1094 xref: USDA_nutrient_nbr:308 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 xref: USDA_fdc_id:1132 xref: USDA_nutrient_nbr:348 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 xref: USDA_fdc_id:1133 xref: USDA_nutrient_nbr:349 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 xref: USDA_fdc_id:1134 xref: USDA_nutrient_nbr:350 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_fdc_id:1137 xref: USDA_nutrient_nbr:354 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 xref: USDA_fdc_id:1139 xref: USDA_nutrient_nbr:356 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_fdc_id:1096 xref: USDA_nutrient_nbr:310 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_fdc_id:1097 xref: USDA_nutrient_nbr:311 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_fdc_id:1098 xref: USDA_nutrient_nbr:312 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_fdc_id:1099 xref: USDA_nutrient_nbr:313 is_a: CDNO:0200645 ! concentration of dietary fluorine in material entity [Term] id: CDNO:0200156 name: concentration of iodide in material entity def: "The concentration of iodide when measured in some material entity." [] synonym: "material entity iodide concentration" EXACT [] xref: INFOODs:ID xref: USDA_fdc_id:1100 xref: USDA_nutrient_nbr:314 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_fdc_id:1089 xref: USDA_nutrient_nbr:303 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 xref: USDA_fdc_id:1143 xref: USDA_nutrient_nbr:367 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 xref: USDA_fdc_id:1144 xref: USDA_nutrient_nbr:368 is_a: CDNO:0200146 ! concentration of trace element in material entity [Term] id: CDNO:0200160 name: concentration of manganese atom in material entity def: "The concentration of manganese atom when measured in some material entity." [] synonym: "material entity manganese atom concentration" EXACT [] xref: INFOODs:MN xref: USDA_fdc_id:1101 xref: USDA_nutrient_nbr:315 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 xref: USDA_fdc_id:1145 xref: USDA_nutrient_nbr:370 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_fdc_id:1102 xref: USDA_nutrient_nbr:316 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_fdc_id:1146 xref: USDA_nutrient_nbr:371 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 xref: USDA_fdc_id:1147 xref: USDA_nutrient_nbr:373 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_fdc_id:1103 xref: USDA_nutrient_nbr:317 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 xref: USDA_fdc_id:1152 xref: USDA_nutrient_nbr:380 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 xref: USDA_fdc_id:1153 xref: USDA_nutrient_nbr:385 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 xref: USDA_fdc_id:1154 xref: USDA_nutrient_nbr:386 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 xref: USDA_fdc_id:1155 xref: USDA_nutrient_nbr:389 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_fdc_id:1095 xref: USDA_nutrient_nbr:309 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 xref: USDA_fdc_id:1135 xref: USDA_nutrient_nbr:351 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 xref: USDA_fdc_id:1149 xref: USDA_nutrient_nbr:375 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 xref: USDA_fdc_id:1138 xref: USDA_nutrient_nbr:355 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 [] xref: USDA_fdc_id:2046 xref: USDA_nutrient_nbr:952 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_fdc_id:1192 xref: USDA_nutrient_nbr:437 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_fdc_id:1165 xref: USDA_nutrient_nbr:404 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_fdc_id:1166 xref: USDA_nutrient_nbr:405 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_fdc_id:1167 xref: USDA_nutrient_nbr:406 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_fdc_id:1170 xref: USDA_nutrient_nbr:410 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 xref: USDA_fdc_id:1171 xref: USDA_nutrient_nbr:411 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_fdc_id:1176 xref: USDA_nutrient_nbr:416 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_fdc_id:1186 xref: USDA_nutrient_nbr:431 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_fdc_id:1162 xref: USDA_nutrient_nbr:401 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 xref: USDA_fdc_id:1162 xref: USDA_nutrient_nbr:401 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_fdc_id:1104 xref: USDA_fdc_id:1106 xref: USDA_fdc_id:1156 xref: USDA_fdc_id:2067 xref: USDA_nutrient_nbr:318 xref: USDA_nutrient_nbr:320 xref: USDA_nutrient_nbr:392 xref: USDA_nutrient_nbr:960 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 α-carotene in material entity def: "The concentration of α-carotene when measured in some material entity." [] synonym: "material entity α-carotene concentration" EXACT [] xref: INFOODs:CARTA xref: USDA_fdc_id:1108 xref: USDA_nutrient_nbr:322 is_a: CDNO:0200523 ! concentration of carotene in material entity [Term] id: CDNO:0200198 name: concentration of β-carotene in material entity def: "The concentration of β-carotene when measured in some material entity." [] synonym: "material entity β-carotene concentration" EXACT [] xref: INFOODs:CARTB xref: USDA_fdc_id:1107 xref: USDA_nutrient_nbr:321 is_a: CDNO:0200523 ! concentration of carotene in material entity [Term] id: CDNO:0200199 name: concentration of 4-hydroxy-all-trans-β-carotene in material entity def: "The concentration of 4-hydroxy-all-trans-β-carotene when measured in some material entity." [] synonym: "material entity 4-hydroxy-all-trans-β-carotene concentration" EXACT [] xref: INFOODs:CARTB xref: USDA_fdc_id:2028 xref: USDA_nutrient_nbr:321.2 is_a: CDNO:0200198 ! concentration of β-carotene in material entity [Term] id: CDNO:0200200 name: concentration of 9-cis-β-carotene in material entity def: "The concentration of 9-cis-β-carotene when measured in some material entity." [] synonym: "material entity 9-cis-β-carotene concentration" EXACT [] xref: INFOODs:CARTBCIS xref: USDA_fdc_id:1159 xref: USDA_nutrient_nbr:321.1 is_a: CDNO:0200198 ! concentration of β-carotene 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_fdc_id:1110 xref: USDA_fdc_id:1114 xref: USDA_nutrient_nbr:324 xref: USDA_nutrient_nbr:328 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 [] xref: USDA_fdc_id:1113 xref: USDA_nutrient_nbr:327 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_fdc_id:1124 xref: USDA_fdc_id:1158 xref: USDA_fdc_id:2068 xref: USDA_nutrient_nbr:340 xref: USDA_nutrient_nbr:394 xref: USDA_nutrient_nbr:959 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 xref: USDA_fdc_id:2055 is_a: CDNO:0200203 ! concentration of vitamin E in material entity [Term] id: CDNO:0200205 name: concentration of α-tocopherol in material entity def: "The concentration of α-tocopherol when measured in some material entity." [] synonym: "material entity α-tocopherol concentration" EXACT [] xref: INFOODs:TOCPHA xref: USDA_fdc_id:1109 xref: USDA_nutrient_nbr:323 is_a: CDNO:0200204 ! concentration of tocopherol in material entity [Term] id: CDNO:0200206 name: concentration of β-tocopherol in material entity def: "The concentration of β-tocopherol when measured in some material entity." [] synonym: "material entity β-tocopherol concentration" EXACT [] xref: INFOODs:TOCPHB xref: USDA_fdc_id:1125 xref: USDA_nutrient_nbr:341 is_a: CDNO:0200204 ! concentration of tocopherol in material entity [Term] id: CDNO:0200207 name: concentration of γ-tocopherol in material entity def: "The concentration of γ-tocopherol when measured in some material entity." [] synonym: "material entity γ-tocopherol concentration" EXACT [] xref: INFOODs:TOCPHG xref: USDA_fdc_id:1126 xref: USDA_nutrient_nbr:342 is_a: CDNO:0200204 ! concentration of tocopherol in material entity [Term] id: CDNO:0200208 name: concentration of δ-tocopherol in material entity def: "The concentration of δ-tocopherol when measured in some material entity." [] synonym: "material entity δ-tocopherol concentration" EXACT [] xref: INFOODs:TOCPHD xref: USDA_fdc_id:1127 xref: USDA_nutrient_nbr:343 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 xref: USDA_fdc_id:2054 is_a: CDNO:0200203 ! concentration of vitamin E in material entity [Term] id: CDNO:0200210 name: concentration of α-tocotrienol in material entity def: "The concentration of α-tocotrienol when measured in some material entity." [] synonym: "material entity α-tocotrienol concentration" EXACT [] xref: INFOODs:TOCTRA xref: USDA_fdc_id:1128 xref: USDA_nutrient_nbr:344 is_a: CDNO:0200209 ! concentration of tocotrienol in material entity [Term] id: CDNO:0200211 name: concentration of β-tocotrienol in material entity def: "The concentration of β-tocotrienol when measured in some material entity." [] synonym: "material entity β-tocotrienol concentration" EXACT [] xref: INFOODs:TOCTRB xref: USDA_fdc_id:1129 xref: USDA_nutrient_nbr:345 is_a: CDNO:0200209 ! concentration of tocotrienol in material entity [Term] id: CDNO:0200212 name: concentration of γ-tocotrienol in material entity def: "The concentration of γ-tocotrienol when measured in some material entity." [] synonym: "material entity γ-tocotrienol concentration" EXACT [] xref: INFOODs:TOCTRG xref: USDA_fdc_id:1130 xref: USDA_nutrient_nbr:346 is_a: CDNO:0200209 ! concentration of tocotrienol in material entity [Term] id: CDNO:0200213 name: concentration of δ-tocotrienol in material entity def: "The concentration of δ-tocotrienol when measured in some material entity." [] synonym: "material entity δ-tocotrienol concentration" EXACT [] xref: INFOODs:TOCTRD xref: USDA_fdc_id:1131 xref: USDA_nutrient_nbr:347 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 xref: USDA_fdc_id:1183 xref: USDA_fdc_id:1184 xref: USDA_nutrient_nbr:428 xref: USDA_nutrient_nbr:429 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:0200268 ! concentration of flavonoids 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_fdc_id:1057 xref: USDA_nutrient_nbr:262 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_fdc_id:1058 xref: USDA_nutrient_nbr:263 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 xref: USDA_fdc_id:1209 xref: USDA_nutrient_nbr:470 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 xref: USDA_fdc_id:1030 xref: USDA_nutrient_nbr:234 is_a: CDNO:0200243 ! concentration of caffeic acid 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:0200225 ! concentration of hydrolysable 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:0200225 ! concentration of hydrolysable 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:0200225 ! concentration of hydrolysable 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:0200750 ! concentration of benzenediols 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:0200228 ! concentration of phlorotannin in material entity [Term] id: CDNO:0200231 name: concentration of (−)-epigallocatechin 3-gallate in material entity def: "The concentration of (−)-epigallocatechin 3-gallate when measured in some material entity." [] synonym: "material entity (−)-epigallocatechin 3-gallate concentration" EXACT [] xref: INFOODs:EPICATEGC xref: USDA_fdc_id:1368 xref: USDA_nutrient_nbr:753 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 [] xref: USDA_fdc_id:1208 xref: USDA_nutrient_nbr:469 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 xref: USDA_fdc_id:1035 xref: USDA_nutrient_nbr:239 is_a: CDNO:0200234 ! concentration of hydroxybenzoic 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 xref: USDA_fdc_id:1045 xref: USDA_nutrient_nbr:249 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-β-D-glucopyranoside in material entity def: "The concentration of hydroquinone O-β-D-glucopyranoside when measured in some material entity." [] synonym: "material entity hydroquinone O-β-D-glucopyranoside concentration" EXACT [] is_a: CDNO:0200442 ! concentration of taurine 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 xref: USDA_fdc_id:1207 xref: USDA_nutrient_nbr:467 is_a: CDNO:0200234 ! concentration of hydroxybenzoic 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:0200234 ! concentration of hydroxybenzoic 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:0200268 ! concentration of flavonoids 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:0200232 ! concentration of phenolic acid 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:0200398 ! concentration of phenylpropanoid 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 xref: USDA_fdc_id:1201 xref: USDA_nutrient_nbr:461 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:0200243 ! concentration of caffeic 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 xref: USDA_fdc_id:1204 xref: USDA_nutrient_nbr:464 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:0200901 ! concentration of coumarin 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 naphthoquinone in material entity def: "The concentration of naphthoquinone when measured in some material entity." [] synonym: "material entity naphthoquinone concentration" EXACT [] is_a: CDNO:0200268 ! concentration of flavonoids 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 naphthoquinone 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 naphthoquinone 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:0200259 ! concentration of stilbene 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:0200215 ! concentration of plant secondary metabolite 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:0200268 ! concentration of flavonoids 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:0200268 ! concentration of flavonoids 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 xref: USDA_fdc_id:1347 xref: USDA_nutrient_nbr:729 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 xref: USDA_fdc_id:1358 xref: USDA_nutrient_nbr:742 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 xref: USDA_fdc_id:1388 xref: USDA_nutrient_nbr:786 is_a: CDNO:0200826 ! concentration of flavonols 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 [] xref: USDA_fdc_id:1362 xref: USDA_nutrient_nbr:747 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 [] xref: USDA_fdc_id:1372 xref: USDA_nutrient_nbr:757 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:0200277 ! concentration of eriodictyol 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 [] xref: USDA_fdc_id:1373 xref: USDA_nutrient_nbr:758 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 xref: USDA_fdc_id:1374 xref: USDA_nutrient_nbr:759 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:0200278 ! concentration of hesperetin 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 [] xref: USDA_fdc_id:1375 xref: USDA_nutrient_nbr:760 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 xref: USDA_fdc_id:1377 xref: USDA_nutrient_nbr:762 is_a: CDNO:0200847 ! concentration of hydroxyflavanone 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:0200277 ! concentration of eriodictyol 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:0200278 ! concentration of hesperetin 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:0200281 ! concentration of 4'-methoxy-5,7-dihydroxyflavanone 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 [] xref: USDA_fdc_id:1378 xref: USDA_nutrient_nbr:768 is_a: CDNO:0200794 ! concentration of flavones 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:0200291 ! concentration of 6-hydroxyluteolin 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 xref: USDA_fdc_id:1379 xref: USDA_nutrient_nbr:770 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:0200795 ! concentration of diosmetin 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:0200849 ! concentration of flavanonol 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:0200294 ! concentration of apigenin 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 xref: USDA_fdc_id:1382 xref: USDA_nutrient_nbr:773 is_a: CDNO:0200290 ! concentration of flavone in material entity [Term] id: CDNO:0200308 name: concentration of luteolin 7-O-β-D-glucoside(1−) in material entity def: "The concentration of luteolin 7-O-β-D-glucoside(1−) when measured in some material entity." [] synonym: "material entity luteolin 7-O-β-D-glucoside(1−) concentration" EXACT [] is_a: CDNO:0200307 ! concentration of luteolin 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:0200796 ! concentration of myricetin 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 [] xref: USDA_fdc_id:1383 xref: USDA_nutrient_nbr:781 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 xref: USDA_fdc_id:1391 xref: USDA_nutrient_nbr:789 is_a: CDNO:0200826 ! concentration of flavonols 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 [] xref: USDA_fdc_id:1384 xref: USDA_nutrient_nbr:782 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 xref: USDA_fdc_id:1385 xref: USDA_nutrient_nbr:783 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:0200294 ! concentration of apigenin in material entity [Term] id: CDNO:0200317 name: concentration of dihydroflavonols in material entity def: "The concentration of dihydroflavonols when measured in some material entity." [] synonym: "material entity dihydroflavonols 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:0200272 ! concentration of flavan 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 xref: USDA_fdc_id:1363 xref: USDA_fdc_id:1364 xref: USDA_nutrient_nbr:748 xref: USDA_nutrient_nbr:749 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:0200332 ! concentration of procyanidin 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:0200332 ! concentration of procyanidin 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:0200332 ! concentration of procyanidin 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:0200332 ! concentration of procyanidin 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:0200332 ! concentration of procyanidin 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:0200332 ! concentration of procyanidin 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:0200332 ! concentration of procyanidin 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:0200332 ! concentration of procyanidin 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 [] xref: USDA_fdc_id:1370 xref: USDA_nutrient_nbr:755 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 dihydrochalcones in material entity def: "The concentration of dihydrochalcones when measured in some material entity." [] synonym: "material entity dihydrochalcones 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 dihydrochalcones 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 dihydrochalcones 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 dihydrochalcones in material entity [Term] id: CDNO:0200347 name: concentration of chalcones in material entity def: "The concentration of chalcones when measured in some material entity." [] synonym: "material entity chalcones 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 chalcones 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 chalcones 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 xref: USDA_fdc_id:1348 xref: USDA_nutrient_nbr:730 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 xref: USDA_fdc_id:1349 xref: USDA_nutrient_nbr:731 is_a: CDNO:0200269 ! concentration of flavonoid in material entity [Term] id: CDNO:0200353 name: concentration of cyanidin 3-O-β-D-galactoside in material entity def: "The concentration of cyanidin 3-O-β-D-galactoside when measured in some material entity." [] synonym: "material entity cyanidin 3-O-β-D-galactoside concentration" EXACT [] is_a: CDNO:0200351 ! concentration of anthocyanidin in material entity is_a: CDNO:0200360 ! concentration of anthocyanin 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:0200360 ! concentration of anthocyanin in material entity [Term] id: CDNO:0200355 name: concentration of cyanidin 3-O-β-D-sambubioside in material entity def: "The concentration of cyanidin 3-O-β-D-sambubioside when measured in some material entity." [] synonym: "material entity cyanidin 3-O-β-D-sambubioside concentration" EXACT [] is_a: CDNO:0200351 ! concentration of anthocyanidin in material entity is_a: CDNO:0200360 ! concentration of anthocyanin 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:0200360 ! concentration of anthocyanin 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:0200360 ! concentration of anthocyanin in material entity is_a: CDNO:0200846 ! concentration of peonidin 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 [] xref: USDA_fdc_id:1359 xref: USDA_nutrient_nbr:743 is_a: CDNO:0200269 ! concentration of flavonoid 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:0200360 ! concentration of anthocyanin 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-β-D-galactoside chloride in material entity def: "The concentration of cyanidin 3-O-β-D-galactoside chloride when measured in some material entity." [] synonym: "material entity cyanidin 3-O-β-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-β-D-glucoside chloride in material entity def: "The concentration of pelargonidin 3-O-β-D-glucoside chloride when measured in some material entity." [] synonym: "material entity pelargonidin 3-O-β-D-glucoside chloride concentration" EXACT [] is_a: CDNO:0200361 ! concentration of anthocyanin chlorides in material entity [Term] id: CDNO:0200366 name: concentration of β-D-glucoside in material entity def: "The concentration of β-D-glucoside when measured in some material entity." [] synonym: "material entity β-D-glucoside concentration" EXACT [] is_a: CDNO:0200360 ! concentration of anthocyanin in material entity [Term] id: CDNO:0200367 name: concentration of delphinidin 3-O-β-D-glucoside in material entity def: "The concentration of delphinidin 3-O-β-D-glucoside when measured in some material entity." [] synonym: "material entity delphinidin 3-O-β-D-glucoside concentration" EXACT [] is_a: CDNO:0200845 ! concentration of delphinidin in material entity [Term] id: CDNO:0200368 name: concentration of petunidin 3-O-β-D-glucoside in material entity def: "The concentration of petunidin 3-O-β-D-glucoside when measured in some material entity." [] synonym: "material entity petunidin 3-O-β-D-glucoside concentration" EXACT [] is_a: CDNO:0200834 ! concentration of petunidin in material entity [Term] id: CDNO:0200369 name: concentration of malvidin 3-O-β-D-glucoside in material entity def: "The concentration of malvidin 3-O-β-D-glucoside when measured in some material entity." [] synonym: "material entity malvidin 3-O-β-D-glucoside concentration" EXACT [] is_a: CDNO:0200832 ! concentration of anthocyanin cation 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:0200371 ! concentration of isoflavans 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 [] xref: USDA_fdc_id:1343 xref: USDA_nutrient_nbr:713 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:0200373 ! concentration of isoflavones 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 xref: USDA_fdc_id:1340 xref: USDA_nutrient_nbr:710 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 xref: USDA_fdc_id:1341 xref: USDA_nutrient_nbr:711 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 xref: USDA_fdc_id:1342 xref: USDA_nutrient_nbr:712 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-β-D-glucoside in material entity def: "The concentration of daidzein 7-O-β-D-glucoside when measured in some material entity." [] synonym: "material entity daidzein 7-O-β-D-glucoside concentration" EXACT [] is_a: CDNO:0200375 ! concentration of daidzein in material entity [Term] id: CDNO:0200380 name: concentration of genistein 7-O-β-D-glucoside in material entity def: "The concentration of genistein 7-O-β-D-glucoside when measured in some material entity." [] synonym: "material entity genistein 7-O-β-D-glucoside concentration" EXACT [] xref: INFOODs:GNSTIN is_a: CDNO:0200376 ! concentration of genistein 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 xref: USDA_fdc_id:2051 xref: USDA_nutrient_nbr:719 is_a: CDNO:0200377 ! concentration of glycitein 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:0200373 ! concentration of isoflavones 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:0200375 ! concentration of daidzein 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:0200376 ! concentration of genistein 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:0200377 ! concentration of glycitein in material entity [Term] id: CDNO:0200386 name: concentration of glycitein 7-(6-O-acetyl-β-D-glucoside) in material entity def: "The concentration of glycitein 7-(6-O-acetyl-β-D-glucoside) when measured in some material entity." [] synonym: "material entity glycitein 7-(6-O-acetyl-β-D-glucoside) concentration" EXACT [] xref: INFOODs:GLYCTNA is_a: CDNO:0200377 ! concentration of glycitein 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 xref: USDA_fdc_id:1346 xref: USDA_nutrient_nbr:716 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:0200901 ! concentration of coumarin 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 (_)-phaseolin in material entity def: "The concentration of (_)-phaseolin when measured in some material entity." [] synonym: "material entity (_)-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:0200222 ! concentration of tannin 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 xref: USDA_fdc_id:1080 xref: USDA_nutrient_nbr:292 is_a: CDNO:0200035 ! concentration of dietary fibre in material entity 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:0200268 ! concentration of flavonoids 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:0200268 ! concentration of flavonoids 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 sesquiterpenoid in material entity def: "The concentration of sesquiterpenoid when measured in some material entity." [] synonym: "material entity sesquiterpenoid 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_fdc_id:1119 xref: USDA_nutrient_nbr:338.2 is_a: CDNO:0200410 ! concentration of xanthophyll in material entity [Term] id: CDNO:0200412 name: concentration of α-cryptoxanthin in material entity def: "The concentration of α-cryptoxanthin when measured in some material entity." [] synonym: "material entity α-cryptoxanthin concentration" EXACT [] xref: INFOODs:CRYPXA xref: USDA_fdc_id:2032 xref: USDA_nutrient_nbr:335 is_a: CDNO:0200410 ! concentration of xanthophyll in material entity [Term] id: CDNO:0200413 name: concentration of β-cryptoxanthin in material entity def: "The concentration of β-cryptoxanthin when measured in some material entity." [] synonym: "material entity β-cryptoxanthin concentration" EXACT [] xref: USDA_fdc_id:1120 xref: USDA_nutrient_nbr:334 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_fdc_id:1121 xref: USDA_nutrient_nbr:338.1 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_fdc_id:1116 xref: USDA_nutrient_nbr:330 is_a: CDNO:0200523 ! concentration of carotene 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_fdc_id:1122 xref: USDA_nutrient_nbr:337 is_a: CDNO:0200523 ! concentration of carotene 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_fdc_id:1160 xref: USDA_nutrient_nbr:337.1 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_fdc_id:1105 xref: USDA_nutrient_nbr:319 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 xref: USDA_fdc_id:1025 xref: USDA_nutrient_nbr:229 is_a: CDNO:0200001 ! concentration of dietary chemical component 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_fdc_id:1026 xref: USDA_nutrient_nbr:230 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_fdc_id:1032 xref: USDA_nutrient_nbr:236 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_fdc_id:1038 xref: USDA_nutrient_nbr:243 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_fdc_id:1038 xref: USDA_nutrient_nbr:244 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_fdc_id:1038 xref: USDA_nutrient_nbr:245 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_fdc_id:1039 xref: USDA_nutrient_nbr:243 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 xref: USDA_fdc_id:1041 xref: USDA_nutrient_nbr:245 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:0200441 ! concentration of inositol 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 xref: USDA_fdc_id:1044 xref: USDA_nutrient_nbr:248 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 xref: USDA_fdc_id:1043 xref: USDA_nutrient_nbr:247 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 xref: USDA_fdc_id:1046 xref: USDA_nutrient_nbr:250 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 xref: USDA_fdc_id:1047 xref: USDA_fdc_id:1048 xref: USDA_nutrient_nbr:251 xref: USDA_nutrient_nbr:252 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 xref: USDA_fdc_id:1037 xref: USDA_nutrient_nbr:241 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 xref: USDA_fdc_id:1040 xref: USDA_nutrient_nbr:244 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_fdc_id:1181 xref: USDA_nutrient_nbr:422 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_fdc_id:1234 xref: USDA_nutrient_nbr:529 is_a: CDNO:0200268 ! concentration of flavonoids 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:0200054 ! concentration of glycine 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 xref: USDA_fdc_id:1055 xref: USDA_nutrient_nbr:260 is_a: CDNO:0200444 ! 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_fdc_id:1078 xref: USDA_nutrient_nbr:290 is_a: CDNO:0200444 ! 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 [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_fdc_id:1180 xref: USDA_fdc_id:1194 xref: USDA_nutrient_nbr:421 xref: USDA_nutrient_nbr:450 is_a: CDNO:0200268 ! concentration of flavonoids 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_fdc_id:1293 xref: USDA_nutrient_nbr:646 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 [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_fdc_id:1292 xref: USDA_nutrient_nbr:645 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_fdc_id:1258 xref: USDA_nutrient_nbr:606 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 xref: USDA_fdc_id:1016 xref: USDA_nutrient_nbr:219 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 xref: USDA_fdc_id:1015 xref: USDA_nutrient_nbr:218 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 [] xref: USDA_fdc_id:2042 xref: USDA_nutrient_nbr:500 is_a: CDNO:0200001 ! concentration of dietary chemical component 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: PATO:0000033 ! concentration of [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: PATO:0000033 ! concentration of [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: PATO:0000033 ! concentration of [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: PATO:0000033 ! concentration of [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: PATO:0000033 ! concentration of [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_fdc_id:1011 xref: USDA_nutrient_nbr:211 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_fdc_id:1011 xref: USDA_nutrient_nbr:211 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_fdc_id:1011 xref: USDA_nutrient_nbr:211 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_fdc_id:1012 xref: USDA_nutrient_nbr:212 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_fdc_id:1011 xref: USDA_nutrient_nbr:211 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_fdc_id:1075 xref: USDA_nutrient_nbr:287 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_fdc_id:1075 xref: USDA_nutrient_nbr:287 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_fdc_id:1011 xref: USDA_nutrient_nbr:211 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_fdc_id:1012 xref: USDA_nutrient_nbr:212 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_fdc_id:1075 xref: USDA_nutrient_nbr:287 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_fdc_id:1011 xref: USDA_nutrient_nbr:211 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_fdc_id:1012 xref: USDA_nutrient_nbr:212 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_fdc_id:1075 xref: USDA_nutrient_nbr:287 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_fdc_id:1011 xref: USDA_nutrient_nbr:211 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_fdc_id:1012 xref: USDA_nutrient_nbr:212 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_fdc_id:1011 xref: USDA_nutrient_nbr:211 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_fdc_id:1011 xref: USDA_nutrient_nbr:211 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_fdc_id:1011 xref: USDA_nutrient_nbr:211 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_fdc_id:1011 xref: USDA_nutrient_nbr:211 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_fdc_id:1403 xref: USDA_nutrient_nbr:806 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_fdc_id:1012 xref: USDA_nutrient_nbr:212 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 [] xref: USDA_fdc_id:1157 xref: USDA_nutrient_nbr:393 is_a: CDNO:0200196 ! concentration of carotenoid in material entity 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 [] xref: USDA_fdc_id:1167 xref: USDA_nutrient_nbr:406 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_fdc_id:1175 xref: USDA_nutrient_nbr:415 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 [] xref: USDA_fdc_id:1177 xref: USDA_fdc_id:1187 xref: USDA_nutrient_nbr:417 xref: USDA_nutrient_nbr:432 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_fdc_id:1178 xref: USDA_nutrient_nbr:418 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_fdc_id:1112 xref: USDA_nutrient_nbr:326 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_fdc_id:1111 xref: USDA_nutrient_nbr:325 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 [] xref: USDA_fdc_id:2059 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_fdc_id:1183 xref: USDA_nutrient_nbr:428 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_fdc_id:1185 xref: USDA_nutrient_nbr:430 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 [] xref: USDA_fdc_id:1087 xref: USDA_nutrient_nbr:301 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 [] xref: USDA_fdc_id:1088 xref: USDA_nutrient_nbr:302 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 [] property_value: IAO:0000231 "The equivalency statement has been duplicated" xsd:string is_obsolete: true replaced_by: CDNO:0200176 [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 [] property_value: IAO:0000231 "The equivalency statement has been duplicated" xsd:string is_obsolete: true replaced_by: CDNO:0200546 [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 [] xref: USDA_fdc_id:1090 xref: USDA_nutrient_nbr:304 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 [] property_value: IAO:0000231 "The equivalency statement has been duplicated" xsd:string is_obsolete: true replaced_by: CDNO:0200563 [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 [] xref: USDA_fdc_id:1091 xref: USDA_nutrient_nbr:305 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 tripotassium phosphate in material entity def: "The concentration of tripotassium phosphate when measured in some material entity." [] synonym: "material entity tripotassium 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 [] property_value: IAO:0000231 "The equivalency statement has been duplicated" xsd:string is_obsolete: true replaced_by: CDNO:0200118 [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 [] property_value: IAO:0000231 CDNO:0200114 property_value: IAO:0000231 "The equivalency statement has been duplicated" xsd:string is_obsolete: true [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 [] property_value: IAO:0000231 "The equivalency statement has been duplicated" xsd:string is_obsolete: true replaced_by: CDNO:0200115 [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 [] property_value: IAO:0000231 "The equivalency statement has been duplicated" xsd:string is_obsolete: true replaced_by: CDNO:0200117 [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 [] property_value: IAO:0000231 "The equivalency statement has been duplicated" xsd:string is_obsolete: true replaced_by: CDNO:0200433 [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 [] xref: USDA_fdc_id:1092 xref: USDA_nutrient_nbr:306 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: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 [] xref: USDA_fdc_id:1093 xref: USDA_nutrient_nbr:307 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 [] property_value: IAO:0000231 "The equivalency statement has been duplicated" xsd:string is_obsolete: true replaced_by: CDNO:0200176 [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 [] xref: USDA_fdc_id:1094 xref: USDA_nutrient_nbr:308 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(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: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 [] property_value: IAO:0000231 "The equivalency statement has been duplicated" xsd:string is_obsolete: true replaced_by: CDNO:0200604 [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 in material entity def: "The concentration of organic sulfate when measured in some material entity." [] synonym: "material entity organic sulfate 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 [] xref: USDA_fdc_id:2069 xref: USDA_nutrient_nbr:961 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 [] xref: USDA_fdc_id:1232 xref: USDA_nutrient_nbr:526 property_value: IAO:0000231 "The equivalency statement has been duplicated" xsd:string is_obsolete: true replaced_by: CDNO:0200051 [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 [] xref: USDA_fdc_id:1215 xref: USDA_nutrient_nbr:506 property_value: IAO:0000231 "The equivalency statement has been duplicated" xsd:string is_obsolete: true replaced_by: CDNO:0200060 [Term] id: CDNO:0200634 name: concentration of glycosinolate in material entity def: "The concentration of glycosinolate when measured in some material entity." [] synonym: "material entity glycosinolate 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 glycosinolate 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 [] xref: USDA_fdc_id:1096 xref: USDA_nutrient_nbr:310 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 [] xref: USDA_fdc_id:1098 xref: USDA_nutrient_nbr:312 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 [] xref: USDA_fdc_id:1099 xref: USDA_nutrient_nbr:313 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 [] xref: USDA_fdc_id:1100 xref: USDA_nutrient_nbr:314 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 [] xref: USDA_fdc_id:1089 xref: USDA_nutrient_nbr:303 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 [] property_value: IAO:0000231 "The equivalency statement has been duplicated" xsd:string is_obsolete: true replaced_by: CDNO:0200451 [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 [] xref: USDA_fdc_id:1101 xref: USDA_nutrient_nbr:315 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 [] xref: USDA_fdc_id:1102 xref: USDA_nutrient_nbr:316 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 [] xref: USDA_fdc_id:1103 xref: USDA_nutrient_nbr:317 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 [] xref: USDA_fdc_id:1095 xref: USDA_nutrient_nbr:309 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:0200041 ! concentration of seed storage 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 xref: USDA_fdc_id:1013 xref: USDA_nutrient_nbr:213 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 β-D-Gal-(1→3)-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-D-Glc in material entity def: "The concentration of β-D-Gal-(1→3)-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-D-Glc when measured in some material entity." [] synonym: "material entity β-D-Gal-(1→3)-β-D-GlcNAc-(1→3)-β-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 [] property_value: IAO:0000231 "The equivalency statement has been duplicated" xsd:string is_obsolete: true replaced_by: CDNO:0200444 [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 [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 [] property_value: IAO:0000231 "The equivalency statement has been duplicated" xsd:string is_obsolete: true replaced_by: CDNO:0200445 [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 [] property_value: IAO:0000231 "The equivalency statement has been duplicated" xsd:string is_obsolete: true replaced_by: CDNO:0200451 [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 [] property_value: IAO:0000231 "The equivalency statement has been duplicated" xsd:string is_obsolete: true replaced_by: CDNO:0200447 [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 [] property_value: IAO:0000231 "The equivalency statement has been duplicated" xsd:string is_obsolete: true replaced_by: CDNO:0200446 [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 [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 [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 [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 [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-α-D-glucopyranosyl-D-fructofuranose in material entity def: "The concentration of 6-O-α-D-glucopyranosyl-D-fructofuranose when measured in some material entity." [] synonym: "material entity 6-O-α-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:0200720 name: concentration of 8,5'-diferulic acid in material entity def: "The concentration of 8,5'-diferulic acid when measured in some material entity." [] synonym: "material entity 8,5'-diferulic acid concentration" EXACT [] is_a: CDNO:0200221 ! concentration of polyphenol in material entity [Term] id: CDNO:0200721 name: concentration of piceatannol in material entity def: "The concentration of piceatannol when measured in some material entity." [] synonym: "material entity piceatannol concentration" EXACT [] is_a: CDNO:0200221 ! concentration of polyphenol in material entity [Term] id: CDNO:0200722 name: concentration of acteoside in material entity def: "The concentration of acteoside when measured in some material entity." [] synonym: "material entity acteoside concentration" EXACT [] is_a: CDNO:0200221 ! concentration of polyphenol in material entity [Term] id: CDNO:0200723 name: concentration of pelargonin in material entity def: "The concentration of pelargonin when measured in some material entity." [] synonym: "material entity pelargonin concentration" EXACT [] is_a: CDNO:0200221 ! concentration of polyphenol in material entity [Term] id: CDNO:0200724 name: concentration of (+)-pinoresinol in material entity def: "The concentration of (+)-pinoresinol when measured in some material entity." [] synonym: "material entity (+)-pinoresinol concentration" EXACT [] is_a: CDNO:0200221 ! concentration of polyphenol in material entity [Term] id: CDNO:0200725 name: concentration of (-)-secoisolariciresinol in material entity def: "The concentration of (-)-secoisolariciresinol when measured in some material entity." [] synonym: "material entity (-)-secoisolariciresinol concentration" EXACT [] is_a: CDNO:0200221 ! concentration of polyphenol in material entity [Term] id: CDNO:0200726 name: concentration of demethoxycurcumin in material entity def: "The concentration of demethoxycurcumin when measured in some material entity." [] synonym: "material entity demethoxycurcumin concentration" EXACT [] is_a: CDNO:0200221 ! concentration of polyphenol in material entity [Term] id: CDNO:0200727 name: concentration of (-)-matairesinol in material entity def: "The concentration of (-)-matairesinol when measured in some material entity." [] synonym: "material entity (-)-matairesinol concentration" EXACT [] is_a: CDNO:0200221 ! concentration of polyphenol in material entity [Term] id: CDNO:0200728 name: concentration of bisdemethoxycurcumin in material entity def: "The concentration of bisdemethoxycurcumin when measured in some material entity." [] synonym: "material entity bisdemethoxycurcumin concentration" EXACT [] is_a: CDNO:0200221 ! concentration of polyphenol in material entity [Term] id: CDNO:0200729 name: concentration of (+)-catechin-3'-methyl ether in material entity def: "The concentration of (+)-catechin-3'-methyl ether when measured in some material entity." [] synonym: "material entity (+)-catechin-3'-methyl ether concentration" EXACT [] is_a: CDNO:0200221 ! concentration of polyphenol in material entity [Term] id: CDNO:0200730 name: concentration of 4'-O-methyl-(−)-epicatechin in material entity def: "The concentration of 4'-O-methyl-(−)-epicatechin when measured in some material entity." [] synonym: "material entity 4'-O-methyl-(−)-epicatechin concentration" EXACT [] is_a: CDNO:0200221 ! concentration of polyphenol in material entity [Term] id: CDNO:0200731 name: concentration of curcumin in material entity def: "The concentration of curcumin when measured in some material entity." [] synonym: "material entity curcumin concentration" EXACT [] is_a: CDNO:0200221 ! concentration of polyphenol in material entity [Term] id: CDNO:0200732 name: concentration of (2-cis,6-cis)-farnesol in material entity def: "The concentration of (2-cis,6-cis)-farnesol when measured in some material entity." [] synonym: "material entity (2-cis,6-cis)-farnesol concentration" EXACT [] is_a: CDNO:0200221 ! concentration of polyphenol in material entity [Term] id: CDNO:0200733 name: concentration of (E)-trans-miyabenol C in material entity def: "The concentration of (E)-trans-miyabenol C when measured in some material entity." [] synonym: "material entity (E)-trans-miyabenol C concentration" EXACT [] is_a: CDNO:0200221 ! concentration of polyphenol in material entity is_a: CDNO:0200421 ! concentration of triterpenoid in material entity [Term] id: CDNO:0200734 name: concentration of trans-rhaponticin in material entity def: "The concentration of trans-rhaponticin when measured in some material entity." [] synonym: "material entity trans-rhaponticin concentration" EXACT [] is_a: CDNO:0200221 ! concentration of polyphenol in material entity [Term] id: CDNO:0200735 name: concentration of stilbenol in material entity def: "The concentration of stilbenol when measured in some material entity." [] synonym: "material entity stilbenol concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200736 name: concentration of pinosylvin in material entity def: "The concentration of pinosylvin when measured in some material entity." [] synonym: "material entity pinosylvin concentration" EXACT [] is_a: CDNO:0200735 ! concentration of stilbenol in material entity [Term] id: CDNO:0200737 name: concentration of resveratrol sulfate in material entity def: "The concentration of resveratrol sulfate when measured in some material entity." [] synonym: "material entity resveratrol sulfate concentration" EXACT [] is_a: CDNO:0200735 ! concentration of stilbenol in material entity [Term] id: CDNO:0200738 name: concentration of guaiacol in material entity def: "The concentration of guaiacol when measured in some material entity." [] synonym: "material entity guaiacol concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200739 name: concentration of (E)-sinapaldehyde in material entity def: "The concentration of (E)-sinapaldehyde when measured in some material entity." [] synonym: "material entity (E)-sinapaldehyde concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200740 name: concentration of 4-hydroxyphenylacetic acid in material entity def: "The concentration of 4-hydroxyphenylacetic acid when measured in some material entity." [] synonym: "material entity 4-hydroxyphenylacetic acid concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200741 name: concentration of hydroxybenzaldehyde in material entity def: "The concentration of hydroxybenzaldehyde when measured in some material entity." [] synonym: "material entity hydroxybenzaldehyde concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200742 name: concentration of 4-hydroxybenzaldehyde in material entity def: "The concentration of 4-hydroxybenzaldehyde when measured in some material entity." [] synonym: "material entity 4-hydroxybenzaldehyde concentration" EXACT [] is_a: CDNO:0200741 ! concentration of hydroxybenzaldehyde in material entity [Term] id: CDNO:0200743 name: concentration of benzenetriol in material entity def: "The concentration of benzenetriol when measured in some material entity." [] synonym: "material entity benzenetriol concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200744 name: concentration of digallic acid in material entity def: "The concentration of digallic acid when measured in some material entity." [] synonym: "material entity digallic acid concentration" EXACT [] is_a: CDNO:0200743 ! concentration of benzenetriol in material entity [Term] id: CDNO:0200745 name: concentration of pyrogallol in material entity def: "The concentration of pyrogallol when measured in some material entity." [] synonym: "material entity pyrogallol concentration" EXACT [] is_a: CDNO:0200743 ! concentration of benzenetriol in material entity [Term] id: CDNO:0200746 name: concentration of Dodecyl gallate in material entity def: "The concentration of Dodecyl gallate when measured in some material entity." [] synonym: "material entity Dodecyl gallate concentration" EXACT [] is_a: CDNO:0200743 ! concentration of benzenetriol in material entity [Term] id: CDNO:0200747 name: concentration of trans-2-coumaric acid in material entity def: "The concentration of trans-2-coumaric acid when measured in some material entity." [] synonym: "material entity trans-2-coumaric acid concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200748 name: concentration of vanillin in material entity def: "The concentration of vanillin when measured in some material entity." [] synonym: "material entity vanillin concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200749 name: concentration of eugenol in material entity def: "The concentration of eugenol when measured in some material entity." [] synonym: "material entity eugenol concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200750 name: concentration of benzenediols in material entity def: "The concentration of benzenediols when measured in some material entity." [] synonym: "material entity benzenediols concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200751 name: concentration of 3,4-dihydroxybenzaldehyde in material entity def: "The concentration of 3,4-dihydroxybenzaldehyde when measured in some material entity." [] synonym: "material entity 3,4-dihydroxybenzaldehyde concentration" EXACT [] is_a: CDNO:0200750 ! concentration of benzenediols in material entity [Term] id: CDNO:0200752 name: concentration of 5-heptadecylresorcinol in material entity def: "The concentration of 5-heptadecylresorcinol when measured in some material entity." [] synonym: "material entity 5-heptadecylresorcinol concentration" EXACT [] is_a: CDNO:0200750 ! concentration of benzenediols in material entity [Term] id: CDNO:0200753 name: concentration of 5-tricosylresorcinol in material entity def: "The concentration of 5-tricosylresorcinol when measured in some material entity." [] synonym: "material entity 5-tricosylresorcinol concentration" EXACT [] is_a: CDNO:0200750 ! concentration of benzenediols in material entity [Term] id: CDNO:0200754 name: concentration of cardol in material entity def: "The concentration of cardol when measured in some material entity." [] synonym: "material entity cardol concentration" EXACT [] is_a: CDNO:0200750 ! concentration of benzenediols in material entity [Term] id: CDNO:0200755 name: concentration of 3,5-dihydroxybenzoic acid in material entity def: "The concentration of 3,5-dihydroxybenzoic acid when measured in some material entity." [] synonym: "material entity 3,5-dihydroxybenzoic acid concentration" EXACT [] is_a: CDNO:0200750 ! concentration of benzenediols in material entity [Term] id: CDNO:0200756 name: concentration of 2',4'-dihydroxyacetophenone in material entity def: "The concentration of 2',4'-dihydroxyacetophenone when measured in some material entity." [] synonym: "material entity 2',4'-dihydroxyacetophenone concentration" EXACT [] is_a: CDNO:0200750 ! concentration of benzenediols in material entity [Term] id: CDNO:0200757 name: concentration of hydroquinone in material entity def: "The concentration of hydroquinone when measured in some material entity." [] synonym: "material entity hydroquinone concentration" EXACT [] is_a: CDNO:0200750 ! concentration of benzenediols in material entity [Term] id: CDNO:0200758 name: concentration of dopamine in material entity def: "The concentration of dopamine when measured in some material entity." [] synonym: "material entity dopamine concentration" EXACT [] is_a: CDNO:0200750 ! concentration of benzenediols in material entity [Term] id: CDNO:0200759 name: concentration of resorcinol in material entity def: "The concentration of resorcinol when measured in some material entity." [] synonym: "material entity resorcinol concentration" EXACT [] is_a: CDNO:0200750 ! concentration of benzenediols in material entity [Term] id: CDNO:0200760 name: concentration of 2-(4-hydroxyphenyl)ethanol in material entity def: "The concentration of 2-(4-hydroxyphenyl)ethanol when measured in some material entity." [] synonym: "material entity 2-(4-hydroxyphenyl)ethanol concentration" EXACT [] xref: USDA_fdc_id:1206 xref: USDA_nutrient_nbr:466 is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200761 name: concentration of 4-hydroxystyrene in material entity def: "The concentration of 4-hydroxystyrene when measured in some material entity." [] synonym: "material entity 4-hydroxystyrene concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200762 name: concentration of 2-methoxy-4-vinylphenol in material entity def: "The concentration of 2-methoxy-4-vinylphenol when measured in some material entity." [] synonym: "material entity 2-methoxy-4-vinylphenol concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200763 name: concentration of (−)-lariciresinol in material entity def: "The concentration of (−)-lariciresinol when measured in some material entity." [] synonym: "material entity (−)-lariciresinol concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200764 name: concentration of (+)-lariciresinol in material entity def: "The concentration of (+)-lariciresinol when measured in some material entity." [] synonym: "material entity (+)-lariciresinol concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200765 name: concentration of Sesamolinol in material entity def: "The concentration of Sesamolinol when measured in some material entity." [] synonym: "material entity Sesamolinol concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200766 name: concentration of 2-O-sulfate-4-hydroxyacetophenone in material entity def: "The concentration of 2-O-sulfate-4-hydroxyacetophenone when measured in some material entity." [] synonym: "material entity 2-O-sulfate-4-hydroxyacetophenone concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200767 name: concentration of 2,3-dihydrobiochanin A in material entity def: "The concentration of 2,3-dihydrobiochanin A when measured in some material entity." [] synonym: "material entity 2,3-dihydrobiochanin A concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200768 name: concentration of 4-hydroxymandelic acid in material entity def: "The concentration of 4-hydroxymandelic acid when measured in some material entity." [] synonym: "material entity 4-hydroxymandelic acid concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200769 name: concentration of vestitone in material entity def: "The concentration of vestitone when measured in some material entity." [] synonym: "material entity vestitone concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200770 name: concentration of 3-hydroxyphenylacetic acid in material entity def: "The concentration of 3-hydroxyphenylacetic acid when measured in some material entity." [] synonym: "material entity 3-hydroxyphenylacetic acid concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200771 name: concentration of (2-hydroxyphenyl)acetic acid in material entity def: "The concentration of (2-hydroxyphenyl)acetic acid when measured in some material entity." [] synonym: "material entity (2-hydroxyphenyl)acetic acid concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200772 name: concentration of Paeonol in material entity def: "The concentration of Paeonol when measured in some material entity." [] synonym: "material entity Paeonol concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200773 name: concentration of m-hydroxyhippuric acid in material entity def: "The concentration of m-hydroxyhippuric acid when measured in some material entity." [] synonym: "material entity m-hydroxyhippuric acid concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200774 name: concentration of 3-(3-hydroxyphenyl)-3-hydroxypropanoic acid in material entity def: "The concentration of 3-(3-hydroxyphenyl)-3-hydroxypropanoic acid when measured in some material entity." [] synonym: "material entity 3-(3-hydroxyphenyl)-3-hydroxypropanoic acid concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200775 name: concentration of deoxyhumulone in material entity def: "The concentration of deoxyhumulone when measured in some material entity." [] synonym: "material entity deoxyhumulone concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200776 name: concentration of tyramine in material entity def: "The concentration of tyramine when measured in some material entity." [] synonym: "material entity tyramine concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200777 name: concentration of 3-(2-hydroxyphenyl)propanoic acid in material entity def: "The concentration of 3-(2-hydroxyphenyl)propanoic acid when measured in some material entity." [] synonym: "material entity 3-(2-hydroxyphenyl)propanoic acid concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200778 name: concentration of kievitone in material entity def: "The concentration of kievitone when measured in some material entity." [] synonym: "material entity kievitone concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200779 name: concentration of vanillyl alcohol in material entity def: "The concentration of vanillyl alcohol when measured in some material entity." [] synonym: "material entity vanillyl alcohol concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200780 name: concentration of vanillylmandelic acid in material entity def: "The concentration of vanillylmandelic acid when measured in some material entity." [] synonym: "material entity vanillylmandelic acid concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200781 name: concentration of serotonin in material entity def: "The concentration of serotonin when measured in some material entity." [] synonym: "material entity serotonin concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200782 name: concentration of dopamine 3-O-sulfate in material entity def: "The concentration of dopamine 3-O-sulfate when measured in some material entity." [] synonym: "material entity dopamine 3-O-sulfate concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200783 name: concentration of gentisyl alcohol in material entity def: "The concentration of gentisyl alcohol when measured in some material entity." [] synonym: "material entity gentisyl alcohol concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200784 name: concentration of quinol sulfate in material entity def: "The concentration of quinol sulfate when measured in some material entity." [] synonym: "material entity quinol sulfate concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200785 name: concentration of biphenyl-2-ol in material entity def: "The concentration of biphenyl-2-ol when measured in some material entity." [] synonym: "material entity biphenyl-2-ol concentration" EXACT [] is_a: CDNO:0200220 ! concentration of phenols in material entity [Term] id: CDNO:0200786 name: concentration of (3,4-dihydroxyphenyl)acetic acid in material entity def: "The concentration of (3,4-dihydroxyphenyl)acetic acid when measured in some material entity." [] synonym: "material entity (3,4-dihydroxyphenyl)acetic acid concentration" EXACT [] is_a: CDNO:0200229 ! concentration of catechol in material entity [Term] id: CDNO:0200787 name: concentration of 3,4-dihydroxybenzoic acid in material entity def: "The concentration of 3,4-dihydroxybenzoic acid when measured in some material entity." [] synonym: "material entity 3,4-dihydroxybenzoic acid concentration" EXACT [] is_a: CDNO:0200229 ! concentration of catechol in material entity [Term] id: CDNO:0200788 name: concentration of 4-methylcatechol in material entity def: "The concentration of 4-methylcatechol when measured in some material entity." [] synonym: "material entity 4-methylcatechol concentration" EXACT [] is_a: CDNO:0200229 ! concentration of catechol in material entity [Term] id: CDNO:0200789 name: concentration of 3-methylcatechol in material entity def: "The concentration of 3-methylcatechol when measured in some material entity." [] synonym: "material entity 3-methylcatechol concentration" EXACT [] is_a: CDNO:0200229 ! concentration of catechol in material entity [Term] id: CDNO:0200790 name: concentration of 3,4-dihydroxyphenylethyleneglycol in material entity def: "The concentration of 3,4-dihydroxyphenylethyleneglycol when measured in some material entity." [] synonym: "material entity 3,4-dihydroxyphenylethyleneglycol concentration" EXACT [] is_a: CDNO:0200229 ! concentration of catechol in material entity [Term] id: CDNO:0200791 name: concentration of 3-phenylpropionic acid in material entity def: "The concentration of 3-phenylpropionic acid when measured in some material entity." [] synonym: "material entity 3-phenylpropionic acid concentration" EXACT [] is_a: CDNO:0200229 ! concentration of catechol in material entity [Term] id: CDNO:0200792 name: concentration of 3-O-methylgallic acid in material entity def: "The concentration of 3-O-methylgallic acid when measured in some material entity." [] synonym: "material entity 3-O-methylgallic acid concentration" EXACT [] is_a: CDNO:0200229 ! concentration of catechol in material entity [Term] id: CDNO:0200793 name: concentration of anthoxanthin in material entity def: "The concentration of anthoxanthin when measured in some material entity." [] synonym: "material entity anthoxanthin concentration" EXACT [] is_a: CDNO:0200269 ! concentration of flavonoid in material entity [Term] id: CDNO:0200794 name: concentration of flavones in material entity def: "The concentration of flavones when measured in some material entity." [] synonym: "material entity flavones concentration" EXACT [] is_a: CDNO:0200793 ! concentration of anthoxanthin in material entity [Term] id: CDNO:0200795 name: concentration of diosmetin in material entity def: "The concentration of diosmetin when measured in some material entity." [] synonym: "material entity diosmetin concentration" EXACT [] xref: USDA_fdc_id:1381 xref: USDA_nutrient_nbr:772 is_a: CDNO:0200290 ! concentration of flavone in material entity [Term] id: CDNO:0200796 name: concentration of myricetin in material entity def: "The concentration of myricetin when measured in some material entity." [] synonym: "material entity myricetin concentration" EXACT [] xref: USDA_fdc_id:1390 xref: USDA_nutrient_nbr:788 is_a: CDNO:0200290 ! concentration of flavone in material entity [Term] id: CDNO:0200797 name: concentration of hydroxyflavone in material entity def: "The concentration of hydroxyflavone when measured in some material entity." [] synonym: "material entity hydroxyflavone concentration" EXACT [] is_a: CDNO:0200290 ! concentration of flavone in material entity [Term] id: CDNO:0200798 name: concentration of luteolin 7-O-neohesperidoside in material entity def: "The concentration of luteolin 7-O-neohesperidoside when measured in some material entity." [] synonym: "material entity luteolin 7-O-neohesperidoside concentration" EXACT [] is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity [Term] id: CDNO:0200799 name: concentration of isopimpinellin in material entity def: "The concentration of isopimpinellin when measured in some material entity." [] synonym: "material entity isopimpinellin concentration" EXACT [] is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity [Term] id: CDNO:0200800 name: concentration of kaempferol 3-O-beta-D-glucoside in material entity def: "The concentration of kaempferol 3-O-beta-D-glucoside when measured in some material entity." [] synonym: "material entity kaempferol 3-O-beta-D-glucoside concentration" EXACT [] is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity [Term] id: CDNO:0200801 name: concentration of rutin in material entity def: "The concentration of rutin when measured in some material entity." [] synonym: "material entity rutin concentration" EXACT [] is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity [Term] id: CDNO:0200802 name: concentration of naringenin 7-O-β-D-glucoside in material entity def: "The concentration of naringenin 7-O-β-D-glucoside when measured in some material entity." [] synonym: "material entity naringenin 7-O-β-D-glucoside concentration" EXACT [] is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity [Term] id: CDNO:0200803 name: concentration of luteolin 7-O-beta-D-glucoside in material entity def: "The concentration of luteolin 7-O-beta-D-glucoside when measured in some material entity." [] synonym: "material entity luteolin 7-O-beta-D-glucoside concentration" EXACT [] is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity [Term] id: CDNO:0200804 name: concentration of quercetin 3-O-beta-D-glucofuranoside in material entity def: "The concentration of quercetin 3-O-beta-D-glucofuranoside when measured in some material entity." [] synonym: "material entity quercetin 3-O-beta-D-glucofuranoside concentration" EXACT [] is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity [Term] id: CDNO:0200805 name: concentration of luteolin 7-O-beta-D-glucosiduronic acid in material entity def: "The concentration of luteolin 7-O-beta-D-glucosiduronic acid when measured in some material entity." [] synonym: "material entity luteolin 7-O-beta-D-glucosiduronic acid concentration" EXACT [] is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity [Term] id: CDNO:0200806 name: concentration of apigenin 7-O-beta-D-glucoside in material entity def: "The concentration of apigenin 7-O-beta-D-glucoside when measured in some material entity." [] synonym: "material entity apigenin 7-O-beta-D-glucoside concentration" EXACT [] is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity [Term] id: CDNO:0200807 name: concentration of quercitrin in material entity def: "The concentration of quercitrin when measured in some material entity." [] synonym: "material entity quercitrin concentration" EXACT [] is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity [Term] id: CDNO:0200808 name: concentration of (S)-naringenin in material entity def: "The concentration of (S)-naringenin when measured in some material entity." [] synonym: "material entity (S)-naringenin concentration" EXACT [] is_a: CDNO:0200282 ! concentration of naringenin in material entity is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity [Term] id: CDNO:0200809 name: concentration of galangin in material entity def: "The concentration of galangin when measured in some material entity." [] synonym: "material entity galangin concentration" EXACT [] is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity [Term] id: CDNO:0200810 name: concentration of kaempferide in material entity def: "The concentration of kaempferide when measured in some material entity." [] synonym: "material entity kaempferide concentration" EXACT [] is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity [Term] id: CDNO:0200811 name: concentration of luteolin 7-O-(6-O-malonyl-β-D-glucoside) in material entity def: "The concentration of luteolin 7-O-(6-O-malonyl-β-D-glucoside) when measured in some material entity." [] synonym: "material entity luteolin 7-O-(6-O-malonyl-β-D-glucoside) concentration" EXACT [] is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity [Term] id: CDNO:0200812 name: concentration of quercetin 3,4'-di-O-β-D-glucoside in material entity def: "The concentration of quercetin 3,4'-di-O-β-D-glucoside when measured in some material entity." [] synonym: "material entity quercetin 3,4'-di-O-β-D-glucoside concentration" EXACT [] is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity [Term] id: CDNO:0200813 name: concentration of quercetin 7,4'-di-O-β-D-glucoside in material entity def: "The concentration of quercetin 7,4'-di-O-β-D-glucoside when measured in some material entity." [] synonym: "material entity quercetin 7,4'-di-O-β-D-glucoside concentration" EXACT [] is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity [Term] id: CDNO:0200814 name: concentration of kaempferol 3-O-β-D-glucosyl-(1→2)-β-D-glucoside in material entity def: "The concentration of kaempferol 3-O-β-D-glucosyl-(1→2)-β-D-glucoside when measured in some material entity." [] synonym: "material entity kaempferol 3-O-β-D-glucosyl-(1→2)-β-D-glucoside concentration" EXACT [] is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity [Term] id: CDNO:0200815 name: concentration of quercetin 3-O-β-D-glucosyl-(1→2)-β-D-glucoside in material entity def: "The concentration of quercetin 3-O-β-D-glucosyl-(1→2)-β-D-glucoside when measured in some material entity." [] synonym: "material entity quercetin 3-O-β-D-glucosyl-(1→2)-β-D-glucoside concentration" EXACT [] is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity [Term] id: CDNO:0200816 name: concentration of isorhamnetin in material entity def: "The concentration of isorhamnetin when measured in some material entity." [] synonym: "material entity isorhamnetin concentration" EXACT [] xref: USDA_fdc_id:1387 xref: USDA_nutrient_nbr:785 is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity [Term] id: CDNO:0200817 name: concentration of quercetin 3-O-β-D-galactopyranoside in material entity def: "The concentration of quercetin 3-O-β-D-galactopyranoside when measured in some material entity." [] synonym: "material entity quercetin 3-O-β-D-galactopyranoside concentration" EXACT [] is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity [Term] id: CDNO:0200818 name: concentration of 4',5,7-trihydroxy-3'-methoxyflavone in material entity def: "The concentration of 4',5,7-trihydroxy-3'-methoxyflavone when measured in some material entity." [] synonym: "material entity 4',5,7-trihydroxy-3'-methoxyflavone concentration" EXACT [] is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity [Term] id: CDNO:0200819 name: concentration of kaempferol 3-O-β-D-galactoside in material entity def: "The concentration of kaempferol 3-O-β-D-galactoside when measured in some material entity." [] synonym: "material entity kaempferol 3-O-β-D-galactoside concentration" EXACT [] is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity [Term] id: CDNO:0200820 name: concentration of fisetin in material entity def: "The concentration of fisetin when measured in some material entity." [] synonym: "material entity fisetin concentration" EXACT [] is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity [Term] id: CDNO:0200821 name: concentration of 3',5'-di-O-methyltricetin in material entity def: "The concentration of 3',5'-di-O-methyltricetin when measured in some material entity." [] synonym: "material entity 3',5'-di-O-methyltricetin concentration" EXACT [] is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity [Term] id: CDNO:0200822 name: concentration of lucenin-2 in material entity def: "The concentration of lucenin-2 when measured in some material entity." [] synonym: "material entity lucenin-2 concentration" EXACT [] is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity [Term] id: CDNO:0200823 name: concentration of quercetin 3-O-β-D-glucopyranoside in material entity def: "The concentration of quercetin 3-O-β-D-glucopyranoside when measured in some material entity." [] synonym: "material entity quercetin 3-O-β-D-glucopyranoside concentration" EXACT [] is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity [Term] id: CDNO:0200824 name: concentration of kaempferol 3-O-glucuronide in material entity def: "The concentration of kaempferol 3-O-glucuronide when measured in some material entity." [] synonym: "material entity kaempferol 3-O-glucuronide concentration" EXACT [] is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity [Term] id: CDNO:0200825 name: concentration of quercetin 4ʼ-O-β-D-glucopyranoside in material entity def: "The concentration of quercetin 4ʼ-O-β-D-glucopyranoside when measured in some material entity." [] synonym: "material entity quercetin 4ʼ-O-β-D-glucopyranoside concentration" EXACT [] is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity [Term] id: CDNO:0200826 name: concentration of flavonols in material entity def: "The concentration of flavonols when measured in some material entity." [] synonym: "material entity flavonols concentration" EXACT [] xref: USDA_fdc_id:1386 xref: USDA_nutrient_nbr:784 is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity [Term] id: CDNO:0200827 name: concentration of isoorientin in material entity def: "The concentration of isoorientin when measured in some material entity." [] synonym: "material entity isoorientin concentration" EXACT [] is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity [Term] id: CDNO:0200828 name: concentration of miquelianin in material entity def: "The concentration of miquelianin when measured in some material entity." [] synonym: "material entity miquelianin concentration" EXACT [] is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity [Term] id: CDNO:0200829 name: concentration of eupatilin in material entity def: "The concentration of eupatilin when measured in some material entity." [] synonym: "material entity eupatilin concentration" EXACT [] is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity [Term] id: CDNO:0200830 name: concentration of cyanin in material entity def: "The concentration of cyanin when measured in some material entity." [] synonym: "material entity cyanin concentration" EXACT [] is_a: CDNO:0200797 ! concentration of hydroxyflavone in material entity [Term] id: CDNO:0200831 name: concentration of galangin 3,5,7-trimethyl ether in material entity def: "The concentration of galangin 3,5,7-trimethyl ether when measured in some material entity." [] synonym: "material entity galangin 3,5,7-trimethyl ether concentration" EXACT [] is_a: CDNO:0200290 ! concentration of flavone in material entity [Term] id: CDNO:0200832 name: concentration of anthocyanin cation in material entity def: "The concentration of anthocyanin cation when measured in some material entity." [] synonym: "material entity anthocyanin cation concentration" EXACT [] is_a: CDNO:0200269 ! concentration of flavonoid in material entity [Term] id: CDNO:0200833 name: concentration of Tulipanin in material entity def: "The concentration of Tulipanin when measured in some material entity." [] synonym: "material entity Tulipanin concentration" EXACT [] is_a: CDNO:0200832 ! concentration of anthocyanin cation in material entity [Term] id: CDNO:0200834 name: concentration of petunidin in material entity def: "The concentration of petunidin when measured in some material entity." [] synonym: "material entity petunidin concentration" EXACT [] xref: USDA_fdc_id:1361 xref: USDA_nutrient_nbr:746 is_a: CDNO:0200832 ! concentration of anthocyanin cation in material entity [Term] id: CDNO:0200835 name: concentration of Dalbergin in material entity def: "The concentration of Dalbergin when measured in some material entity." [] synonym: "material entity Dalbergin concentration" EXACT [] is_a: CDNO:0200269 ! concentration of flavonoid in material entity [Term] id: CDNO:0200836 name: concentration of pelargonidin 3-O-beta-D-glucoside in material entity def: "The concentration of pelargonidin 3-O-beta-D-glucoside when measured in some material entity." [] synonym: "material entity pelargonidin 3-O-beta-D-glucoside concentration" EXACT [] is_a: CDNO:0200835 ! concentration of Dalbergin in material entity [Term] id: CDNO:0200837 name: concentration of peonidin 3-O-β-D-glucoside in material entity def: "The concentration of peonidin 3-O-β-D-glucoside when measured in some material entity." [] synonym: "material entity peonidin 3-O-β-D-glucoside concentration" EXACT [] is_a: CDNO:0200835 ! concentration of Dalbergin in material entity [Term] id: CDNO:0200838 name: concentration of isoliquiritigenin in material entity def: "The concentration of isoliquiritigenin when measured in some material entity." [] synonym: "material entity isoliquiritigenin concentration" EXACT [] is_a: CDNO:0200269 ! concentration of flavonoid in material entity [Term] id: CDNO:0200839 name: concentration of trilobatin in material entity def: "The concentration of trilobatin when measured in some material entity." [] synonym: "material entity trilobatin concentration" EXACT [] is_a: CDNO:0200269 ! concentration of flavonoid in material entity [Term] id: CDNO:0200840 name: concentration of 3,6,9-trihydroxypterocarpan in material entity def: "The concentration of 3,6,9-trihydroxypterocarpan when measured in some material entity." [] synonym: "material entity 3,6,9-trihydroxypterocarpan concentration" EXACT [] is_a: CDNO:0200269 ! concentration of flavonoid in material entity [Term] id: CDNO:0200841 name: concentration of phaseollidin in material entity def: "The concentration of phaseollidin when measured in some material entity." [] synonym: "material entity phaseollidin concentration" EXACT [] is_a: CDNO:0200269 ! concentration of flavonoid in material entity [Term] id: CDNO:0200842 name: concentration of delphinidin chloride in material entity def: "The concentration of delphinidin chloride when measured in some material entity." [] synonym: "material entity delphinidin chloride concentration" EXACT [] is_a: CDNO:0200351 ! concentration of anthocyanidin in material entity [Term] id: CDNO:0200843 name: concentration of pelargonidin chloride in material entity def: "The concentration of pelargonidin chloride when measured in some material entity." [] synonym: "material entity pelargonidin chloride concentration" EXACT [] is_a: CDNO:0200351 ! concentration of anthocyanidin in material entity [Term] id: CDNO:0200844 name: concentration of peonidin chloride in material entity def: "The concentration of peonidin chloride when measured in some material entity." [] synonym: "material entity peonidin chloride concentration" EXACT [] is_a: CDNO:0200351 ! concentration of anthocyanidin in material entity [Term] id: CDNO:0200845 name: concentration of delphinidin in material entity def: "The concentration of delphinidin when measured in some material entity." [] synonym: "material entity delphinidin concentration" EXACT [] xref: USDA_fdc_id:1357 xref: USDA_nutrient_nbr:741 is_a: CDNO:0200269 ! concentration of flavonoid in material entity [Term] id: CDNO:0200846 name: concentration of peonidin in material entity def: "The concentration of peonidin when measured in some material entity." [] synonym: "material entity peonidin concentration" EXACT [] xref: USDA_fdc_id:1360 xref: USDA_nutrient_nbr:745 is_a: CDNO:0200269 ! concentration of flavonoid in material entity [Term] id: CDNO:0200847 name: concentration of hydroxyflavanone in material entity def: "The concentration of hydroxyflavanone when measured in some material entity." [] synonym: "material entity hydroxyflavanone concentration" EXACT [] is_a: CDNO:0200273 ! concentration of flavanone in material entity [Term] id: CDNO:0200848 name: concentration of astilbin in material entity def: "The concentration of astilbin when measured in some material entity." [] synonym: "material entity astilbin concentration" EXACT [] is_a: CDNO:0200847 ! concentration of hydroxyflavanone in material entity [Term] id: CDNO:0200849 name: concentration of flavanonol in material entity def: "The concentration of flavanonol when measured in some material entity." [] synonym: "material entity flavanonol concentration" EXACT [] is_a: CDNO:0200269 ! concentration of flavonoid in material entity [Term] id: CDNO:0200850 name: concentration of (+)-taxifolin in material entity def: "The concentration of (+)-taxifolin when measured in some material entity." [] synonym: "material entity (+)-taxifolin concentration" EXACT [] is_a: CDNO:0200847 ! concentration of hydroxyflavanone in material entity [Term] id: CDNO:0200851 name: concentration of garbanzol in material entity def: "The concentration of garbanzol when measured in some material entity." [] synonym: "material entity garbanzol concentration" EXACT [] is_a: CDNO:0200847 ! concentration of hydroxyflavanone in material entity [Term] id: CDNO:0200852 name: concentration of liquiritigenin in material entity def: "The concentration of liquiritigenin when measured in some material entity." [] synonym: "material entity liquiritigenin concentration" EXACT [] xref: USDA_fdc_id:1376 xref: USDA_nutrient_nbr:761 is_a: CDNO:0200847 ! concentration of hydroxyflavanone in material entity [Term] id: CDNO:0200853 name: concentration of betagarin in material entity def: "The concentration of betagarin when measured in some material entity." [] synonym: "material entity betagarin concentration" EXACT [] is_a: CDNO:0200273 ! concentration of flavanone in material entity [Term] id: CDNO:0200854 name: concentration of (+)-catechin in material entity def: "The concentration of (+)-catechin when measured in some material entity." [] synonym: "material entity (+)-catechin concentration" EXACT [] is_a: CDNO:0200319 ! concentration of catechin in material entity [Term] id: CDNO:0200855 name: concentration of Cyclokievitone in material entity def: "The concentration of Cyclokievitone when measured in some material entity." [] synonym: "material entity Cyclokievitone concentration" EXACT [] is_a: CDNO:0200370 ! concentration of isoflavonoid in material entity [Term] id: CDNO:0200856 name: concentration of equol in material entity def: "The concentration of equol when measured in some material entity." [] synonym: "material entity equol concentration" EXACT [] is_a: CDNO:0200370 ! concentration of isoflavonoid in material entity [Term] id: CDNO:0200857 name: concentration of Sayanedine in material entity def: "The concentration of Sayanedine when measured in some material entity." [] synonym: "material entity Sayanedine concentration" EXACT [] is_a: CDNO:0200370 ! concentration of isoflavonoid in material entity [Term] id: CDNO:0200858 name: concentration of formononetin in material entity def: "The concentration of formononetin when measured in some material entity." [] synonym: "material entity formononetin concentration" EXACT [] xref: USDA_fdc_id:1345 xref: USDA_nutrient_nbr:715 is_a: CDNO:0200373 ! concentration of isoflavones in material entity [Term] id: CDNO:0200859 name: concentration of methoxyisoflavone in material entity def: "The concentration of methoxyisoflavone when measured in some material entity." [] synonym: "material entity methoxyisoflavone concentration" EXACT [] is_a: CDNO:0200373 ! concentration of isoflavones in material entity [Term] id: CDNO:0200860 name: concentration of Irisolidone in material entity def: "The concentration of Irisolidone when measured in some material entity." [] synonym: "material entity Irisolidone concentration" EXACT [] is_a: CDNO:0200859 ! concentration of methoxyisoflavone in material entity [Term] id: CDNO:0200861 name: concentration of biochanin A in material entity def: "The concentration of biochanin A when measured in some material entity." [] synonym: "material entity biochanin A concentration" EXACT [] xref: USDA_fdc_id:1344 xref: USDA_nutrient_nbr:714 is_a: CDNO:0200859 ! concentration of methoxyisoflavone in material entity [Term] id: CDNO:0200862 name: concentration of 2'-hydroxyformononetin in material entity def: "The concentration of 2'-hydroxyformononetin when measured in some material entity." [] synonym: "material entity 2'-hydroxyformononetin concentration" EXACT [] is_a: CDNO:0200859 ! concentration of methoxyisoflavone in material entity [Term] id: CDNO:0200863 name: concentration of calycosin in material entity def: "The concentration of calycosin when measured in some material entity." [] synonym: "material entity calycosin concentration" EXACT [] is_a: CDNO:0200859 ! concentration of methoxyisoflavone in material entity [Term] id: CDNO:0200864 name: concentration of 4',6,7-trihydroxyisoflavone in material entity def: "The concentration of 4',6,7-trihydroxyisoflavone when measured in some material entity." [] synonym: "material entity 4',6,7-trihydroxyisoflavone concentration" EXACT [] is_a: CDNO:0200374 ! concentration of hydroxyisoflavone in material entity [Term] id: CDNO:0200865 name: concentration of orobol in material entity def: "The concentration of orobol when measured in some material entity." [] synonym: "material entity orobol concentration" EXACT [] is_a: CDNO:0200374 ! concentration of hydroxyisoflavone in material entity [Term] id: CDNO:0200866 name: concentration of irilone in material entity def: "The concentration of irilone when measured in some material entity." [] synonym: "material entity irilone concentration" EXACT [] is_a: CDNO:0200374 ! concentration of hydroxyisoflavone in material entity [Term] id: CDNO:0200867 name: concentration of 3',4',7-trihydroxyisoflavone in material entity def: "The concentration of 3',4',7-trihydroxyisoflavone when measured in some material entity." [] synonym: "material entity 3',4',7-trihydroxyisoflavone concentration" EXACT [] is_a: CDNO:0200374 ! concentration of hydroxyisoflavone in material entity [Term] id: CDNO:0200868 name: concentration of prunetin in material entity def: "The concentration of prunetin when measured in some material entity." [] synonym: "material entity prunetin concentration" EXACT [] is_a: CDNO:0200374 ! concentration of hydroxyisoflavone in material entity [Term] id: CDNO:0200869 name: concentration of 2'-hydroxydaidzein in material entity def: "The concentration of 2'-hydroxydaidzein when measured in some material entity." [] synonym: "material entity 2'-hydroxydaidzein concentration" EXACT [] is_a: CDNO:0200374 ! concentration of hydroxyisoflavone in material entity [Term] id: CDNO:0200870 name: concentration of licoisoflavone A in material entity def: "The concentration of licoisoflavone A when measured in some material entity." [] synonym: "material entity licoisoflavone A concentration" EXACT [] is_a: CDNO:0200374 ! concentration of hydroxyisoflavone in material entity [Term] id: CDNO:0200871 name: concentration of genistein(1−) in material entity def: "The concentration of genistein(1−) when measured in some material entity." [] synonym: "material entity genistein(1−) concentration" EXACT [] is_a: CDNO:0200376 ! concentration of genistein in material entity [Term] id: CDNO:0200872 name: concentration of sanguiin H6 in material entity def: "The concentration of sanguiin H6 when measured in some material entity." [] synonym: "material entity sanguiin H6 concentration" EXACT [] is_a: CDNO:0200226 ! concentration of ellagitannin in material entity [Term] id: CDNO:0200873 name: concentration of lambertianin C in material entity def: "The concentration of lambertianin C when measured in some material entity." [] synonym: "material entity lambertianin C concentration" EXACT [] is_a: CDNO:0200226 ! concentration of ellagitannin in material entity [Term] id: CDNO:0200874 name: concentration of punicalagin in material entity def: "The concentration of punicalagin when measured in some material entity." [] synonym: "material entity punicalagin concentration" EXACT [] is_a: CDNO:0200226 ! concentration of ellagitannin in material entity [Term] id: CDNO:0200875 name: concentration of Punicalin in material entity def: "The concentration of Punicalin when measured in some material entity." [] synonym: "material entity Punicalin concentration" EXACT [] is_a: CDNO:0200226 ! concentration of ellagitannin in material entity [Term] id: CDNO:0200876 name: concentration of agrimoniin in material entity def: "The concentration of agrimoniin when measured in some material entity." [] synonym: "material entity agrimoniin concentration" EXACT [] is_a: CDNO:0200226 ! concentration of ellagitannin in material entity [Term] id: CDNO:0200877 name: concentration of theogallin in material entity def: "The concentration of theogallin when measured in some material entity." [] synonym: "material entity theogallin concentration" EXACT [] is_a: CDNO:0200227 ! concentration of gallotannin in material entity [Term] id: CDNO:0200878 name: concentration of cinnamtannin B-1 in material entity def: "The concentration of cinnamtannin B-1 when measured in some material entity." [] synonym: "material entity cinnamtannin B-1 concentration" EXACT [] is_a: CDNO:0200332 ! concentration of procyanidin in material entity [Term] id: CDNO:0200879 name: concentration of theasinensin A in material entity def: "The concentration of theasinensin A when measured in some material entity." [] synonym: "material entity theasinensin A concentration" EXACT [] is_a: CDNO:0200332 ! concentration of procyanidin in material entity [Term] id: CDNO:0200880 name: concentration of arecatannin a2 in material entity def: "The concentration of arecatannin a2 when measured in some material entity." [] synonym: "material entity arecatannin a2 concentration" EXACT [] is_a: CDNO:0200332 ! concentration of procyanidin in material entity [Term] id: CDNO:0200881 name: concentration of Schisantherin A in material entity def: "The concentration of Schisantherin A when measured in some material entity." [] synonym: "material entity Schisantherin A concentration" EXACT [] is_a: CDNO:0200222 ! concentration of tannin in material entity [Term] id: CDNO:0200882 name: concentration of Terminalin in material entity def: "The concentration of Terminalin when measured in some material entity." [] synonym: "material entity Terminalin concentration" EXACT [] is_a: CDNO:0200222 ! concentration of tannin in material entity [Term] id: CDNO:0200883 name: concentration of (-)-Variabilin in material entity def: "The concentration of (-)-Variabilin when measured in some material entity." [] synonym: "material entity (-)-Variabilin concentration" EXACT [] is_a: CDNO:0200222 ! concentration of tannin in material entity [Term] id: CDNO:0200884 name: concentration of Casuarictin in material entity def: "The concentration of Casuarictin when measured in some material entity." [] synonym: "material entity Casuarictin concentration" EXACT [] is_a: CDNO:0200222 ! concentration of tannin in material entity [Term] id: CDNO:0200885 name: concentration of Casuarinin in material entity def: "The concentration of Casuarinin when measured in some material entity." [] synonym: "material entity Casuarinin concentration" EXACT [] is_a: CDNO:0200222 ! concentration of tannin in material entity [Term] id: CDNO:0200886 name: concentration of Chebulinic acid in material entity def: "The concentration of Chebulinic acid when measured in some material entity." [] synonym: "material entity Chebulinic acid concentration" EXACT [] is_a: CDNO:0200222 ! concentration of tannin in material entity [Term] id: CDNO:0200887 name: concentration of Fucofuroeckol B in material entity def: "The concentration of Fucofuroeckol B when measured in some material entity." [] synonym: "material entity Fucofuroeckol B concentration" EXACT [] is_a: CDNO:0200222 ! concentration of tannin in material entity [Term] id: CDNO:0200888 name: concentration of Geraniin in material entity def: "The concentration of Geraniin when measured in some material entity." [] synonym: "material entity Geraniin concentration" EXACT [] is_a: CDNO:0200222 ! concentration of tannin in material entity [Term] id: CDNO:0200889 name: concentration of Pedunculagin in material entity def: "The concentration of Pedunculagin when measured in some material entity." [] synonym: "material entity Pedunculagin concentration" EXACT [] is_a: CDNO:0200222 ! concentration of tannin in material entity [Term] id: CDNO:0200890 name: concentration of Tellimagrandin I in material entity def: "The concentration of Tellimagrandin I when measured in some material entity." [] synonym: "material entity Tellimagrandin I concentration" EXACT [] is_a: CDNO:0200222 ! concentration of tannin in material entity [Term] id: CDNO:0200891 name: concentration of 4-hydroxybenzoic acid in material entity def: "The concentration of 4-hydroxybenzoic acid when measured in some material entity." [] synonym: "material entity 4-hydroxybenzoic acid concentration" EXACT [] is_a: CDNO:0200234 ! concentration of hydroxybenzoic acid in material entity [Term] id: CDNO:0200892 name: concentration of 3-hydroxybenzoic acid in material entity def: "The concentration of 3-hydroxybenzoic acid when measured in some material entity." [] synonym: "material entity 3-hydroxybenzoic acid concentration" EXACT [] is_a: CDNO:0200234 ! concentration of hydroxybenzoic acid in material entity [Term] id: CDNO:0200893 name: concentration of 2,3-dihydroxybenzoic acid in material entity def: "The concentration of 2,3-dihydroxybenzoic acid when measured in some material entity." [] synonym: "material entity 2,3-dihydroxybenzoic acid concentration" EXACT [] is_a: CDNO:0200234 ! concentration of hydroxybenzoic acid in material entity [Term] id: CDNO:0200894 name: concentration of 2,5-dihydroxybenzoic acid in material entity def: "The concentration of 2,5-dihydroxybenzoic acid when measured in some material entity." [] synonym: "material entity 2,5-dihydroxybenzoic acid concentration" EXACT [] is_a: CDNO:0200234 ! concentration of hydroxybenzoic acid in material entity [Term] id: CDNO:0200895 name: concentration of 2,6-dihydroxybenzoic acid in material entity def: "The concentration of 2,6-dihydroxybenzoic acid when measured in some material entity." [] synonym: "material entity 2,6-dihydroxybenzoic acid concentration" EXACT [] is_a: CDNO:0200234 ! concentration of hydroxybenzoic acid in material entity [Term] id: CDNO:0200896 name: concentration of 2,4,6-Trihydroxybenzoic acid in material entity def: "The concentration of 2,4,6-Trihydroxybenzoic acid when measured in some material entity." [] synonym: "material entity 2,4,6-Trihydroxybenzoic acid concentration" EXACT [] is_a: CDNO:0200234 ! concentration of hydroxybenzoic acid in material entity [Term] id: CDNO:0200897 name: concentration of 3-hydroxy-4-methoxybenzoic acid in material entity def: "The concentration of 3-hydroxy-4-methoxybenzoic acid when measured in some material entity." [] synonym: "material entity 3-hydroxy-4-methoxybenzoic acid concentration" EXACT [] is_a: CDNO:0200234 ! concentration of hydroxybenzoic acid in material entity [Term] id: CDNO:0200898 name: concentration of n-propyl gallate in material entity def: "The concentration of n-propyl gallate when measured in some material entity." [] synonym: "material entity n-propyl gallate concentration" EXACT [] is_a: CDNO:0200234 ! concentration of hydroxybenzoic acid in material entity [Term] id: CDNO:0200899 name: concentration of resveratrol in material entity def: "The concentration of resveratrol when measured in some material entity." [] synonym: "material entity resveratrol concentration" EXACT [] is_a: CDNO:0200258 ! concentration of stilbenoid in material entity [Term] id: CDNO:0200900 name: concentration of pterostilbene in material entity def: "The concentration of pterostilbene when measured in some material entity." [] synonym: "material entity pterostilbene concentration" EXACT [] is_a: CDNO:0200258 ! concentration of stilbenoid in material entity [Term] id: CDNO:0200901 name: concentration of coumarin in material entity def: "The concentration of coumarin when measured in some material entity." [] synonym: "material entity coumarin concentration" EXACT [] is_a: CDNO:0200398 ! concentration of phenylpropanoid in material entity [Term] id: CDNO:0200902 name: concentration of umbelliferone in material entity def: "The concentration of umbelliferone when measured in some material entity." [] synonym: "material entity umbelliferone concentration" EXACT [] is_a: CDNO:0200398 ! concentration of phenylpropanoid in material entity [Term] id: CDNO:0200903 name: concentration of trans-4-coumaric acid in material entity def: "The concentration of trans-4-coumaric acid when measured in some material entity." [] synonym: "material entity trans-4-coumaric acid concentration" EXACT [] is_a: CDNO:0200248 ! concentration of 4-coumaric acid in material entity [Term] id: CDNO:0200904 name: concentration of trans-3-coumaric acid in material entity def: "The concentration of trans-3-coumaric acid when measured in some material entity." [] synonym: "material entity trans-3-coumaric acid concentration" EXACT [] is_a: CDNO:0200250 ! concentration of 3-coumaric acid in material entity [Term] id: CDNO:0200905 name: concentration of trans-caffeic acid in material entity def: "The concentration of trans-caffeic acid when measured in some material entity." [] synonym: "material entity trans-caffeic acid concentration" EXACT [] is_a: CDNO:0200243 ! concentration of caffeic acid in material entity [Term] id: CDNO:0200906 name: concentration of rosmarinic acid in material entity def: "The concentration of rosmarinic acid when measured in some material entity." [] synonym: "material entity rosmarinic acid concentration" EXACT [] is_a: CDNO:0200243 ! concentration of caffeic acid in material entity [Term] id: CDNO:0200907 name: concentration of (R)-rosmarinic acid in material entity def: "The concentration of (R)-rosmarinic acid when measured in some material entity." [] synonym: "material entity (R)-rosmarinic acid concentration" EXACT [] is_a: CDNO:0200906 ! concentration of rosmarinic acid in material entity [Term] id: CDNO:0200908 name: concentration of cis-caffeic acid in material entity def: "The concentration of cis-caffeic acid when measured in some material entity." [] synonym: "material entity cis-caffeic acid concentration" EXACT [] is_a: CDNO:0200243 ! concentration of caffeic acid in material entity [Term] id: CDNO:0200909 name: concentration of Trachelogenin in material entity def: "The concentration of Trachelogenin when measured in some material entity." [] synonym: "material entity Trachelogenin concentration" EXACT [] is_a: CDNO:0200398 ! concentration of phenylpropanoid in material entity [Term] id: CDNO:0200910 name: concentration of isoeugenol in material entity def: "The concentration of isoeugenol when measured in some material entity." [] synonym: "material entity isoeugenol concentration" EXACT [] is_a: CDNO:0200398 ! concentration of phenylpropanoid in material entity [Term] id: CDNO:0200911 name: concentration of 4-methylumbelliferone β-D-glucuronide in material entity def: "The concentration of 4-methylumbelliferone β-D-glucuronide when measured in some material entity." [] synonym: "material entity 4-methylumbelliferone β-D-glucuronide concentration" EXACT [] is_a: CDNO:0200398 ! concentration of phenylpropanoid in material entity [Term] id: CDNO:0200912 name: concentration of 4-methylumbelliferone sulfate in material entity def: "The concentration of 4-methylumbelliferone sulfate when measured in some material entity." [] synonym: "material entity 4-methylumbelliferone sulfate concentration" EXACT [] is_a: CDNO:0200398 ! concentration of phenylpropanoid in material entity [Term] id: CDNO:0200913 name: concentration of 7-ethoxycoumarin in material entity def: "The concentration of 7-ethoxycoumarin when measured in some material entity." [] synonym: "material entity 7-ethoxycoumarin concentration" EXACT [] is_a: CDNO:0200398 ! concentration of phenylpropanoid in material entity [Term] id: CDNO:0200914 name: concentration of esculin in material entity def: "The concentration of esculin when measured in some material entity." [] synonym: "material entity esculin concentration" EXACT [] is_a: CDNO:0200398 ! concentration of phenylpropanoid in material entity [Term] id: CDNO:0200915 name: concentration of scoparone in material entity def: "The concentration of scoparone when measured in some material entity." [] synonym: "material entity scoparone concentration" EXACT [] is_a: CDNO:0200398 ! concentration of phenylpropanoid in material entity [Term] id: CDNO:0200916 name: concentration of coniferyl aldehyde in material entity def: "The concentration of coniferyl aldehyde when measured in some material entity." [] synonym: "material entity coniferyl aldehyde concentration" EXACT [] is_a: CDNO:0200398 ! concentration of phenylpropanoid in material entity [Term] id: CDNO:0200917 name: concentration of cinnamaldehydes in material entity def: "The concentration of cinnamaldehydes when measured in some material entity." [] synonym: "material entity cinnamaldehydes concentration" EXACT [] is_a: CDNO:0200398 ! concentration of phenylpropanoid in material entity [Term] id: CDNO:0200918 name: concentration of theophylline in material entity def: "The concentration of theophylline when measured in some material entity." [] synonym: "material entity theophylline concentration" EXACT [] xref: USDA_fdc_id:1083 xref: USDA_nutrient_nbr:296 is_a: CDNO:0200216 ! concentration of alkaloid in material entity [Term] id: CDNO:0200919 name: concentration of solanine in material entity def: "The concentration of solanine when measured in some material entity." [] synonym: "material entity solanine concentration" EXACT [] is_a: CDNO:0200216 ! concentration of alkaloid in material entity [Term] id: CDNO:0200920 name: concentration of tomatine in material entity def: "The concentration of tomatine when measured in some material entity." [] synonym: "material entity tomatine concentration" EXACT [] is_a: CDNO:0200216 ! concentration of alkaloid in material entity [Term] id: CDNO:0200921 name: concentration of piperine in material entity def: "The concentration of piperine when measured in some material entity." [] synonym: "material entity piperine concentration" EXACT [] xref: USDA_fdc_id:1054 xref: USDA_nutrient_nbr:259 is_a: CDNO:0200216 ! concentration of alkaloid in material entity [Term] id: CDNO:0200922 name: concentration of gingerol in material entity def: "The concentration of gingerol when measured in some material entity." [] synonym: "material entity gingerol concentration" EXACT [] is_a: CDNO:0200216 ! concentration of alkaloid in material entity [Term] id: CDNO:0200923 name: concentration of harman in material entity def: "The concentration of harman when measured in some material entity." [] synonym: "material entity harman concentration" EXACT [] is_a: CDNO:0200216 ! concentration of alkaloid in material entity [Term] id: CDNO:0200924 name: concentration of hordenine in material entity def: "The concentration of hordenine when measured in some material entity." [] synonym: "material entity hordenine concentration" EXACT [] is_a: CDNO:0200216 ! concentration of alkaloid in material entity [Term] id: CDNO:0200925 name: concentration of Isobetanin in material entity def: "The concentration of Isobetanin when measured in some material entity." [] synonym: "material entity Isobetanin concentration" EXACT [] is_a: CDNO:0200216 ! concentration of alkaloid in material entity [Term] id: CDNO:0200926 name: concentration of Physoperuvine in material entity def: "The concentration of Physoperuvine when measured in some material entity." [] synonym: "material entity Physoperuvine concentration" EXACT [] is_a: CDNO:0200216 ! concentration of alkaloid in material entity [Term] id: CDNO:0200927 name: concentration of Prebetanin in material entity def: "The concentration of Prebetanin when measured in some material entity." [] synonym: "material entity Prebetanin concentration" EXACT [] is_a: CDNO:0200216 ! concentration of alkaloid in material entity [Term] id: CDNO:0200928 name: concentration of trans-4-hydroxy-L-proline betaine in material entity def: "The concentration of trans-4-hydroxy-L-proline betaine when measured in some material entity." [] synonym: "material entity trans-4-hydroxy-L-proline betaine concentration" EXACT [] is_a: CDNO:0200216 ! concentration of alkaloid in material entity [Term] id: CDNO:0200929 name: concentration of humulone in material entity def: "The concentration of humulone when measured in some material entity." [] synonym: "material entity humulone concentration" EXACT [] is_a: CDNO:0200444 ! concentration of polyol in material entity [Term] id: CDNO:0200930 name: concentration of Rishitin in material entity def: "The concentration of Rishitin when measured in some material entity." [] synonym: "material entity Rishitin concentration" EXACT [] is_a: CDNO:0200444 ! concentration of polyol in material entity [Term] id: CDNO:0200931 name: concentration of propane-1,2-diol in material entity def: "The concentration of propane-1,2-diol when measured in some material entity." [] synonym: "material entity propane-1,2-diol concentration" EXACT [] is_a: CDNO:0200444 ! concentration of polyol in material entity [Term] id: CDNO:0200932 name: concentration of myo-inositol in material entity def: "The concentration of myo-inositol when measured in some material entity." [] synonym: "material entity myo-inositol concentration" EXACT [] is_a: CDNO:0200433 ! concentration of myo-inositol hexakisphosphate in material entity [Term] id: CDNO:0200933 name: concentration of farnesol in material entity def: "The concentration of farnesol when measured in some material entity." [] synonym: "material entity farnesol concentration" EXACT [] is_a: CDNO:0200408 ! concentration of sesquiterpenoid in material entity [Term] id: CDNO:0200934 name: concentration of capsidiol in material entity def: "The concentration of capsidiol when measured in some material entity." [] synonym: "material entity capsidiol concentration" EXACT [] is_a: CDNO:0200408 ! concentration of sesquiterpenoid in material entity [Term] id: CDNO:0200935 name: concentration of Cynaropicrin in material entity def: "The concentration of Cynaropicrin when measured in some material entity." [] synonym: "material entity Cynaropicrin concentration" EXACT [] is_a: CDNO:0200408 ! concentration of sesquiterpenoid in material entity [Term] id: CDNO:0200936 name: concentration of Isocaryophyllene in material entity def: "The concentration of Isocaryophyllene when measured in some material entity." [] synonym: "material entity Isocaryophyllene concentration" EXACT [] is_a: CDNO:0200408 ! concentration of sesquiterpenoid in material entity [Term] id: CDNO:0200937 name: concentration of (+)-valencene in material entity def: "The concentration of (+)-valencene when measured in some material entity." [] synonym: "material entity (+)-valencene concentration" EXACT [] is_a: CDNO:0200408 ! concentration of sesquiterpenoid in material entity [Term] id: CDNO:0200938 name: concentration of Lactupicrin in material entity def: "The concentration of Lactupicrin when measured in some material entity." [] synonym: "material entity Lactupicrin concentration" EXACT [] is_a: CDNO:0200408 ! concentration of sesquiterpenoid in material entity [Term] id: CDNO:0200939 name: concentration of Matricin in material entity def: "The concentration of Matricin when measured in some material entity." [] synonym: "material entity Matricin concentration" EXACT [] is_a: CDNO:0200408 ! concentration of sesquiterpenoid in material entity [Term] id: CDNO:0200940 name: concentration of Nobilin in material entity def: "The concentration of Nobilin when measured in some material entity." [] synonym: "material entity Nobilin concentration" EXACT [] is_a: CDNO:0200408 ! concentration of sesquiterpenoid in material entity [Term] id: CDNO:0200941 name: concentration of (+)-nootkatone in material entity def: "The concentration of (+)-nootkatone when measured in some material entity." [] synonym: "material entity (+)-nootkatone concentration" EXACT [] is_a: CDNO:0200408 ! concentration of sesquiterpenoid in material entity [Term] id: CDNO:0200942 name: concentration of lactucopicrin in material entity def: "The concentration of lactucopicrin when measured in some material entity." [] synonym: "material entity lactucopicrin concentration" EXACT [] is_a: CDNO:0200408 ! concentration of sesquiterpenoid in material entity [Term] id: CDNO:0200943 name: concentration of Tricyclodehydroisohumulone in material entity def: "The concentration of Tricyclodehydroisohumulone when measured in some material entity." [] synonym: "material entity Tricyclodehydroisohumulone concentration" EXACT [] is_a: CDNO:0200408 ! concentration of sesquiterpenoid in material entity [Term] id: CDNO:0200944 name: concentration of crocetin in material entity def: "The concentration of crocetin when measured in some material entity." [] synonym: "material entity crocetin concentration" EXACT [] is_a: CDNO:0200409 ! concentration of diterpenoid in material entity [Term] id: CDNO:0200945 name: concentration of Ineketone in material entity def: "The concentration of Ineketone when measured in some material entity." [] synonym: "material entity Ineketone concentration" EXACT [] is_a: CDNO:0200409 ! concentration of diterpenoid in material entity [Term] id: CDNO:0200946 name: concentration of Norbixin in material entity def: "The concentration of Norbixin when measured in some material entity." [] synonym: "material entity Norbixin concentration" EXACT [] is_a: CDNO:0200409 ! concentration of diterpenoid in material entity [Term] id: CDNO:0200947 name: concentration of Phaseoloside D in material entity def: "The concentration of Phaseoloside D when measured in some material entity." [] synonym: "material entity Phaseoloside D concentration" EXACT [] is_a: CDNO:0200409 ! concentration of diterpenoid in material entity [Term] id: CDNO:0200948 name: concentration of stevioside in material entity def: "The concentration of stevioside when measured in some material entity." [] synonym: "material entity stevioside concentration" EXACT [] is_a: CDNO:0200409 ! concentration of diterpenoid in material entity [Term] id: CDNO:0200949 name: concentration of steviol glycoside in material entity def: "The concentration of steviol glycoside when measured in some material entity." [] synonym: "material entity steviol glycoside concentration" EXACT [] is_a: CDNO:0200409 ! concentration of diterpenoid in material entity [Term] id: CDNO:0200950 name: concentration of Carnosol in material entity def: "The concentration of Carnosol when measured in some material entity." [] synonym: "material entity Carnosol concentration" EXACT [] is_a: CDNO:0200409 ! concentration of diterpenoid in material entity [Term] id: CDNO:0200951 name: concentration of carnosic acid in material entity def: "The concentration of carnosic acid when measured in some material entity." [] synonym: "material entity carnosic acid concentration" EXACT [] is_a: CDNO:0200409 ! concentration of diterpenoid in material entity [Term] id: CDNO:0200952 name: concentration of sesterterpenoid in material entity def: "The concentration of sesterterpenoid when measured in some material entity." [] synonym: "material entity sesterterpenoid concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0200953 name: concentration of Avenacin B-2 in material entity def: "The concentration of Avenacin B-2 when measured in some material entity." [] synonym: "material entity Avenacin B-2 concentration" EXACT [] is_a: CDNO:0200421 ! concentration of triterpenoid in material entity [Term] id: CDNO:0200954 name: concentration of glycyrrhetinic acid in material entity def: "The concentration of glycyrrhetinic acid when measured in some material entity." [] synonym: "material entity glycyrrhetinic acid concentration" EXACT [] is_a: CDNO:0200421 ! concentration of triterpenoid in material entity [Term] id: CDNO:0200955 name: concentration of betulinic acid in material entity def: "The concentration of betulinic acid when measured in some material entity." [] synonym: "material entity betulinic acid concentration" EXACT [] is_a: CDNO:0200421 ! concentration of triterpenoid in material entity [Term] id: CDNO:0200956 name: concentration of Cucurbitacin C in material entity def: "The concentration of Cucurbitacin C when measured in some material entity." [] synonym: "material entity Cucurbitacin C concentration" EXACT [] is_a: CDNO:0200421 ! concentration of triterpenoid in material entity [Term] id: CDNO:0200957 name: concentration of diosgenin in material entity def: "The concentration of diosgenin when measured in some material entity." [] synonym: "material entity diosgenin concentration" EXACT [] is_a: CDNO:0200421 ! concentration of triterpenoid in material entity [Term] id: CDNO:0200958 name: concentration of erythrodiol in material entity def: "The concentration of erythrodiol when measured in some material entity." [] synonym: "material entity erythrodiol concentration" EXACT [] is_a: CDNO:0200421 ! concentration of triterpenoid in material entity [Term] id: CDNO:0200959 name: concentration of (20S)-ginsenoside Rg3 in material entity def: "The concentration of (20S)-ginsenoside Rg3 when measured in some material entity." [] synonym: "material entity (20S)-ginsenoside Rg3 concentration" EXACT [] is_a: CDNO:0200421 ! concentration of triterpenoid in material entity [Term] id: CDNO:0200960 name: concentration of nomilin in material entity def: "The concentration of nomilin when measured in some material entity." [] synonym: "material entity nomilin concentration" EXACT [] is_a: CDNO:0200421 ! concentration of triterpenoid in material entity [Term] id: CDNO:0200961 name: concentration of Obacunone in material entity def: "The concentration of Obacunone when measured in some material entity." [] synonym: "material entity Obacunone concentration" EXACT [] is_a: CDNO:0200421 ! concentration of triterpenoid in material entity [Term] id: CDNO:0200962 name: concentration of ginsenoside Rg2 in material entity def: "The concentration of ginsenoside Rg2 when measured in some material entity." [] synonym: "material entity ginsenoside Rg2 concentration" EXACT [] is_a: CDNO:0200421 ! concentration of triterpenoid in material entity [Term] id: CDNO:0200963 name: concentration of ginsenoside Rb2 in material entity def: "The concentration of ginsenoside Rb2 when measured in some material entity." [] synonym: "material entity ginsenoside Rb2 concentration" EXACT [] is_a: CDNO:0200421 ! concentration of triterpenoid in material entity [Term] id: CDNO:0200964 name: concentration of ginsenoside Rc in material entity def: "The concentration of ginsenoside Rc when measured in some material entity." [] synonym: "material entity ginsenoside Rc concentration" EXACT [] is_a: CDNO:0200421 ! concentration of triterpenoid in material entity [Term] id: CDNO:0200965 name: concentration of soyasapogenol B in material entity def: "The concentration of soyasapogenol B when measured in some material entity." [] synonym: "material entity soyasapogenol B concentration" EXACT [] is_a: CDNO:0200421 ! concentration of triterpenoid in material entity [Term] id: CDNO:0200966 name: concentration of Soyasaponin A1 in material entity def: "The concentration of Soyasaponin A1 when measured in some material entity." [] synonym: "material entity Soyasaponin A1 concentration" EXACT [] is_a: CDNO:0200421 ! concentration of triterpenoid in material entity [Term] id: CDNO:0200967 name: concentration of ursolic acid in material entity def: "The concentration of ursolic acid when measured in some material entity." [] synonym: "material entity ursolic acid concentration" EXACT [] is_a: CDNO:0200421 ! concentration of triterpenoid in material entity [Term] id: CDNO:0200968 name: concentration of all-trans-phytoene in material entity def: "The concentration of all-trans-phytoene when measured in some material entity." [] synonym: "material entity all-trans-phytoene concentration" EXACT [] is_a: CDNO:0200523 ! concentration of carotene in material entity [Term] id: CDNO:0200969 name: concentration of lutein 5,6-epoxide in material entity def: "The concentration of lutein 5,6-epoxide when measured in some material entity." [] synonym: "material entity lutein 5,6-epoxide concentration" EXACT [] is_a: CDNO:0200410 ! concentration of xanthophyll in material entity [Term] id: CDNO:0200970 name: concentration of antheraxanthin in material entity def: "The concentration of antheraxanthin when measured in some material entity." [] synonym: "material entity antheraxanthin concentration" EXACT [] is_a: CDNO:0200410 ! concentration of xanthophyll in material entity [Term] id: CDNO:0200971 name: concentration of all-trans-neoxanthin in material entity def: "The concentration of all-trans-neoxanthin when measured in some material entity." [] synonym: "material entity all-trans-neoxanthin concentration" EXACT [] is_a: CDNO:0200410 ! concentration of xanthophyll in material entity [Term] id: CDNO:0200972 name: concentration of canthaxanthin in material entity def: "The concentration of canthaxanthin when measured in some material entity." [] synonym: "material entity canthaxanthin concentration" EXACT [] is_a: CDNO:0200410 ! concentration of xanthophyll in material entity [Term] id: CDNO:0200973 name: concentration of capsanthin in material entity def: "The concentration of capsanthin when measured in some material entity." [] synonym: "material entity capsanthin concentration" EXACT [] is_a: CDNO:0200410 ! concentration of xanthophyll in material entity [Term] id: CDNO:0200974 name: concentration of capsorubin in material entity def: "The concentration of capsorubin when measured in some material entity." [] synonym: "material entity capsorubin concentration" EXACT [] is_a: CDNO:0200410 ! concentration of xanthophyll in material entity [Term] id: CDNO:0200975 name: concentration of all-trans-violaxanthin in material entity def: "The concentration of all-trans-violaxanthin when measured in some material entity." [] synonym: "material entity all-trans-violaxanthin concentration" EXACT [] is_a: CDNO:0200410 ! concentration of xanthophyll in material entity [Term] id: CDNO:0200976 name: concentration of astaxanthin in material entity def: "The concentration of astaxanthin when measured in some material entity." [] synonym: "material entity astaxanthin concentration" EXACT [] is_a: CDNO:0200410 ! concentration of xanthophyll in material entity [Term] id: CDNO:0200977 name: concentration of echinenone in material entity def: "The concentration of echinenone when measured in some material entity." [] synonym: "material entity echinenone concentration" EXACT [] is_a: CDNO:0200410 ! concentration of xanthophyll in material entity [Term] id: CDNO:0200978 name: concentration of Flavoxanthin in material entity def: "The concentration of Flavoxanthin when measured in some material entity." [] synonym: "material entity Flavoxanthin concentration" EXACT [] is_a: CDNO:0200410 ! concentration of xanthophyll in material entity [Term] id: CDNO:0200979 name: concentration of fucoxanthin in material entity def: "The concentration of fucoxanthin when measured in some material entity." [] synonym: "material entity fucoxanthin concentration" EXACT [] is_a: CDNO:0200410 ! concentration of xanthophyll in material entity [Term] id: CDNO:0200980 name: concentration of lactucaxanthin in material entity def: "The concentration of lactucaxanthin when measured in some material entity." [] synonym: "material entity lactucaxanthin concentration" EXACT [] is_a: CDNO:0200410 ! concentration of xanthophyll in material entity [Term] id: CDNO:0200981 name: concentration of zeinoxanthin in material entity def: "The concentration of zeinoxanthin when measured in some material entity." [] synonym: "material entity zeinoxanthin concentration" EXACT [] is_a: CDNO:0200410 ! concentration of xanthophyll in material entity [Term] id: CDNO:0200982 name: concentration of lycoxanthin in material entity def: "The concentration of lycoxanthin when measured in some material entity." [] synonym: "material entity lycoxanthin concentration" EXACT [] is_a: CDNO:0200410 ! concentration of xanthophyll in material entity [Term] id: CDNO:0200983 name: concentration of Mutatochrome in material entity def: "The concentration of Mutatochrome when measured in some material entity." [] synonym: "material entity Mutatochrome concentration" EXACT [] is_a: CDNO:0200410 ! concentration of xanthophyll in material entity [Term] id: CDNO:0200984 name: concentration of Physalien in material entity def: "The concentration of Physalien when measured in some material entity." [] synonym: "material entity Physalien concentration" EXACT [] is_a: CDNO:0200410 ! concentration of xanthophyll in material entity [Term] id: CDNO:0200985 name: concentration of rubixanthin in material entity def: "The concentration of rubixanthin when measured in some material entity." [] synonym: "material entity rubixanthin concentration" EXACT [] is_a: CDNO:0200410 ! concentration of xanthophyll in material entity [Term] id: CDNO:0200986 name: concentration of paeoniflorin in material entity def: "The concentration of paeoniflorin when measured in some material entity." [] synonym: "material entity paeoniflorin concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0200987 name: concentration of Yamogenin in material entity def: "The concentration of Yamogenin when measured in some material entity." [] synonym: "material entity Yamogenin concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0200988 name: concentration of rebaudioside A in material entity def: "The concentration of rebaudioside A when measured in some material entity." [] synonym: "material entity rebaudioside A concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0200989 name: concentration of rebaudioside B(1−) in material entity def: "The concentration of rebaudioside B(1−) when measured in some material entity." [] synonym: "material entity rebaudioside B(1−) concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0200990 name: concentration of rebaudioside E in material entity def: "The concentration of rebaudioside E when measured in some material entity." [] synonym: "material entity rebaudioside E concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0200991 name: concentration of rebaudioside D in material entity def: "The concentration of rebaudioside D when measured in some material entity." [] synonym: "material entity rebaudioside D concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0200992 name: concentration of retinal in material entity def: "The concentration of retinal when measured in some material entity." [] synonym: "material entity retinal concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0200993 name: concentration of 13-cis-retinal in material entity def: "The concentration of 13-cis-retinal when measured in some material entity." [] synonym: "material entity 13-cis-retinal concentration" EXACT [] is_a: CDNO:0200992 ! concentration of retinal in material entity [Term] id: CDNO:0200994 name: concentration of (R)-camphor in material entity def: "The concentration of (R)-camphor when measured in some material entity." [] synonym: "material entity (R)-camphor concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0200995 name: concentration of (+)-exo-5-hydroxycamphor in material entity def: "The concentration of (+)-exo-5-hydroxycamphor when measured in some material entity." [] synonym: "material entity (+)-exo-5-hydroxycamphor concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0200996 name: concentration of (+)-carvone in material entity def: "The concentration of (+)-carvone when measured in some material entity." [] synonym: "material entity (+)-carvone concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0200997 name: concentration of perillyl alcohol in material entity def: "The concentration of perillyl alcohol when measured in some material entity." [] synonym: "material entity perillyl alcohol concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0200998 name: concentration of (S)-(-)-perillyl alcohol in material entity def: "The concentration of (S)-(-)-perillyl alcohol when measured in some material entity." [] synonym: "material entity (S)-(-)-perillyl alcohol concentration" EXACT [] is_a: CDNO:0200997 ! concentration of perillyl alcohol in material entity [Term] id: CDNO:0200999 name: concentration of glycyrrhizinic acid in material entity def: "The concentration of glycyrrhizinic acid when measured in some material entity." [] synonym: "material entity glycyrrhizinic acid concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0201000 name: concentration of limonin in material entity def: "The concentration of limonin when measured in some material entity." [] synonym: "material entity limonin concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0201001 name: concentration of (1S,4R)-fenchone in material entity def: "The concentration of (1S,4R)-fenchone when measured in some material entity." [] synonym: "material entity (1S,4R)-fenchone concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0201002 name: concentration of limonene-1,2-diol in material entity def: "The concentration of limonene-1,2-diol when measured in some material entity." [] synonym: "material entity limonene-1,2-diol concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0201003 name: concentration of phytol in material entity def: "The concentration of phytol when measured in some material entity." [] synonym: "material entity phytol concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0201004 name: concentration of 2-trans,6-trans-farnesyl diphosphate in material entity def: "The concentration of 2-trans,6-trans-farnesyl diphosphate when measured in some material entity." [] synonym: "material entity 2-trans,6-trans-farnesyl diphosphate concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0201005 name: concentration of geraniol in material entity def: "The concentration of geraniol when measured in some material entity." [] synonym: "material entity geraniol concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0201006 name: concentration of all-trans-retinal in material entity def: "The concentration of all-trans-retinal when measured in some material entity." [] synonym: "material entity all-trans-retinal concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0201007 name: concentration of absinthin in material entity def: "The concentration of absinthin when measured in some material entity." [] synonym: "material entity absinthin concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0201008 name: concentration of myrtenic acid in material entity def: "The concentration of myrtenic acid when measured in some material entity." [] synonym: "material entity myrtenic acid concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0201009 name: concentration of avenacin A-1 in material entity def: "The concentration of avenacin A-1 when measured in some material entity." [] synonym: "material entity avenacin A-1 concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0201010 name: concentration of lubimin in material entity def: "The concentration of lubimin when measured in some material entity." [] synonym: "material entity lubimin concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0201011 name: concentration of 1,8-cineole in material entity def: "The concentration of 1,8-cineole when measured in some material entity." [] synonym: "material entity 1,8-cineole concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0201012 name: concentration of borneol in material entity def: "The concentration of borneol when measured in some material entity." [] synonym: "material entity borneol concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0201013 name: concentration of Azukisaponin III in material entity def: "The concentration of Azukisaponin III when measured in some material entity." [] synonym: "material entity Azukisaponin III concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0201014 name: concentration of (2E,6E)-farnesyl monophosphate in material entity def: "The concentration of (2E,6E)-farnesyl monophosphate when measured in some material entity." [] synonym: "material entity (2E,6E)-farnesyl monophosphate concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0201015 name: concentration of soyasaponin I in material entity def: "The concentration of soyasaponin I when measured in some material entity." [] synonym: "material entity soyasaponin I concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0201016 name: concentration of Spinasaponin A in material entity def: "The concentration of Spinasaponin A when measured in some material entity." [] synonym: "material entity Spinasaponin A concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0201017 name: concentration of Theasaponin in material entity def: "The concentration of Theasaponin when measured in some material entity." [] synonym: "material entity Theasaponin concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0201018 name: concentration of (−)-α-thujone in material entity def: "The concentration of (−)-α-thujone when measured in some material entity." [] synonym: "material entity (−)-α-thujone concentration" EXACT [] is_a: CDNO:0200406 ! concentration of terpenoid in material entity [Term] id: CDNO:0201019 name: concentration of phloretic acid in material entity def: "The concentration of phloretic acid when measured in some material entity." [] synonym: "material entity phloretic acid concentration" EXACT [] is_a: CDNO:0200422 ! concentration of organic acid in material entity [Term] id: CDNO:0201020 name: concentration of amino acid derived from non-proteinacious in material entity def: "The concentration of amino acid derived from non-proteinacious when measured in some material entity." [] synonym: "material entity amino acid derived from non-proteinacious concentration" EXACT [] is_a: CDNO:0200464 ! concentration of amino acid in material entity [Term] id: CDNO:0201021 name: concentration of citrulline in material entity def: "The concentration of citrulline when measured in some material entity." [] synonym: "material entity citrulline concentration" EXACT [] is_a: CDNO:0201020 ! concentration of amino acid derived from non-proteinacious in material entity [Term] id: CDNO:0201022 name: concentration of ornithine in material entity def: "The concentration of ornithine when measured in some material entity." [] synonym: "material entity ornithine concentration" EXACT [] is_a: CDNO:0201020 ! concentration of amino acid derived from non-proteinacious in material entity [Term] id: CDNO:0201023 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:0200268 ! concentration of flavonoids in material entity [Term] id: CDNO:0201024 name: concentration of glucoberteroin(1-) in material entity def: "The concentration of glucoberteroin(1-) when measured in some material entity." [] synonym: "material entity glucoberteroin(1-) concentration" EXACT [] is_a: CDNO:0201023 ! concentration of glucosinolate in material entity [Term] id: CDNO:0201025 name: concentration of glucocapparin(1-) in material entity def: "The concentration of glucocapparin(1-) when measured in some material entity." [] synonym: "material entity glucocapparin(1-) concentration" EXACT [] is_a: CDNO:0201023 ! concentration of glucosinolate in material entity [Term] id: CDNO:0201026 name: concentration of glucocochlearin(1-) in material entity def: "The concentration of glucocochlearin(1-) when measured in some material entity." [] synonym: "material entity glucocochlearin(1-) concentration" EXACT [] is_a: CDNO:0201023 ! concentration of glucosinolate in material entity [Term] id: CDNO:0201027 name: concentration of glucoerucin(1-) in material entity def: "The concentration of glucoerucin(1-) when measured in some material entity." [] synonym: "material entity glucoerucin(1-) concentration" EXACT [] is_a: CDNO:0201023 ! concentration of glucosinolate in material entity [Term] id: CDNO:0201028 name: concentration of glucoiberverin(1-) in material entity def: "The concentration of glucoiberverin(1-) when measured in some material entity." [] synonym: "material entity glucoiberverin(1-) concentration" EXACT [] is_a: CDNO:0201023 ! concentration of glucosinolate in material entity [Term] id: CDNO:0201029 name: concentration of gluconapin(1-) in material entity def: "The concentration of gluconapin(1-) when measured in some material entity." [] synonym: "material entity gluconapin(1-) concentration" EXACT [] is_a: CDNO:0201023 ! concentration of glucosinolate in material entity [Term] id: CDNO:0201030 name: concentration of gluconapoleiferin(1-) in material entity def: "The concentration of gluconapoleiferin(1-) when measured in some material entity." [] synonym: "material entity gluconapoleiferin(1-) concentration" EXACT [] is_a: CDNO:0201023 ! concentration of glucosinolate in material entity [Term] id: CDNO:0201031 name: concentration of gluconasturtiin(1-) in material entity def: "The concentration of gluconasturtiin(1-) when measured in some material entity." [] synonym: "material entity gluconasturtiin(1-) concentration" EXACT [] is_a: CDNO:0201023 ! concentration of glucosinolate in material entity [Term] id: CDNO:0201032 name: concentration of glucoputranjivin(1-) in material entity def: "The concentration of glucoputranjivin(1-) when measured in some material entity." [] synonym: "material entity glucoputranjivin(1-) concentration" EXACT [] is_a: CDNO:0201023 ! concentration of glucosinolate in material entity [Term] id: CDNO:0201033 name: concentration of glucoraphenin(1-) in material entity def: "The concentration of glucoraphenin(1-) when measured in some material entity." [] synonym: "material entity glucoraphenin(1-) concentration" EXACT [] is_a: CDNO:0201023 ! concentration of glucosinolate in material entity [Term] id: CDNO:0201034 name: concentration of glucobrassicin(1-) in material entity def: "The concentration of glucobrassicin(1-) when measured in some material entity." [] synonym: "material entity glucobrassicin(1-) concentration" EXACT [] is_a: CDNO:0201023 ! concentration of glucosinolate in material entity [Term] id: CDNO:0201035 name: concentration of progoitrin(1−) in material entity def: "The concentration of progoitrin(1−) when measured in some material entity." [] synonym: "material entity progoitrin(1−) concentration" EXACT [] is_a: CDNO:0201023 ! concentration of glucosinolate in material entity [Term] id: CDNO:0201036 name: concentration of Sinalbin in material entity def: "The concentration of Sinalbin when measured in some material entity." [] synonym: "material entity Sinalbin concentration" EXACT [] is_a: CDNO:0201023 ! concentration of glucosinolate in material entity [Term] id: CDNO:0201037 name: concentration of sinigrin(1-) in material entity def: "The concentration of sinigrin(1-) when measured in some material entity." [] synonym: "material entity sinigrin(1-) concentration" EXACT [] is_a: CDNO:0201023 ! concentration of glucosinolate in material entity [Term] id: CDNO:0201038 name: concentration of diarylheptanoid in material entity def: "The concentration of diarylheptanoid when measured in some material entity." [] synonym: "material entity diarylheptanoid concentration" EXACT [] is_a: CDNO:0200268 ! concentration of flavonoids in material entity [Term] id: CDNO:0201039 name: concentration of myricanone in material entity def: "The concentration of myricanone when measured in some material entity." [] synonym: "material entity myricanone concentration" EXACT [] is_a: CDNO:0201038 ! concentration of diarylheptanoid in material entity [Term] id: CDNO:0201040 name: concentration of high molecular weight dietary fibre in material entity def: "The concentration of high molecular weight dietary fibre when measured in some material entity." [] synonym: "material entity high molecular weight dietary fibre concentration" EXACT [] is_a: CDNO:0200035 ! concentration of dietary fibre in material entity [Term] id: CDNO:0201041 name: concentration of fermentable dietary fibre in material entity def: "The concentration of fermentable dietary fibre when measured in some material entity." [] synonym: "material entity fermentable dietary fibre concentration" EXACT [] is_a: CDNO:0200035 ! concentration of dietary fibre in material entity [Term] id: CDNO:0201042 name: concentration of non-fermentable dietary fibre in material entity def: "The concentration of non-fermentable dietary fibre when measured in some material entity." [] synonym: "material entity non-fermentable dietary fibre concentration" EXACT [] is_a: CDNO:0200035 ! concentration of dietary fibre in material entity [Term] id: CDNO:0201043 name: concentration of viscous dietary fibre in material entity def: "The concentration of viscous dietary fibre when measured in some material entity." [] synonym: "material entity viscous dietary fibre concentration" EXACT [] is_a: CDNO:0200036 ! concentration of soluble dietary fibre in material entity [Term] id: CDNO:0201044 name: concentration of added dietary fibre in material entity def: "The concentration of added dietary fibre when measured in some material entity." [] synonym: "material entity added dietary fibre concentration" EXACT [] is_a: CDNO:0200035 ! concentration of dietary fibre in material entity [Term] id: CDNO:0201045 name: concentration of prebiotic dietary fibre in material entity def: "The concentration of prebiotic dietary fibre when measured in some material entity." [] synonym: "material entity prebiotic dietary fibre concentration" EXACT [] is_a: CDNO:0200035 ! concentration of dietary fibre in material entity [Term] id: CDNO:0201046 name: concentration of soluble dietary fibre precipitate (SDFP) in material entity def: "The concentration of soluble dietary fibre precipitate (SDFP) when measured in some material entity." [] synonym: "material entity soluble dietary fibre precipitate (SDFP) concentration" EXACT [] is_a: CDNO:0200036 ! concentration of soluble dietary fibre in material entity [Term] id: CDNO:0201047 name: concentration of soluble dietary fibre soluble (SDFS) in material entity def: "The concentration of soluble dietary fibre soluble (SDFS) when measured in some material entity." [] synonym: "material entity soluble dietary fibre soluble (SDFS) concentration" EXACT [] is_a: CDNO:0200036 ! concentration of soluble dietary fibre in material entity [Term] id: CDNO:0201048 name: concentration of low molecular weight dietary fibre in material entity def: "The concentration of low molecular weight dietary fibre when measured in some material entity." [] synonym: "material entity low molecular weight dietary fibre concentration" EXACT [] is_a: CDNO:0200036 ! concentration of soluble dietary fibre 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 nutritional component based on supporting evidence defined at the levels of molecular interaction, cellular process or physiology." [] is_a: BFO:0000023 ! role [Term] id: CDNO:0500002 name: human dietary role def: "A biological role in humans that may be assigned to a dietary nutritional component based on supporting evidence defined at the levels of molecular interaction, cellular process or physiology." [] is_a: CDNO:0500001 ! dietary role [Term] id: CHEBI:10086 name: Yamogenin namespace: chebi_ontology subset: 2_STAR synonym: "Yamogenin" EXACT [KEGG_COMPOUND] xref: CAS:512-06-1 {source="KEGG COMPOUND"} xref: KEGG:C08918 xref: KNApSAcK:C00003597 is_a: CHEBI:26873 ! terpenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H42O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WQLVFSAGQJTQCK-CAKNJAFZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "414.622" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "414.31340" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]11CC[C@H](C)CO1" xsd:string [Term] id: CHEBI:10136 name: gingerol namespace: chebi_ontology def: "A beta-hydroxy ketone that is 5-hydroxydecan-3-one substituted by a 4-hydroxy-3-methoxyphenyl moiety at position 1; believed to inhibit adipogenesis. It is a constituent of fresh ginger." [] subset: 3_STAR synonym: "(+)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone" RELATED [ChemIDplus] synonym: "(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-(+)-[6]Gingerol" RELATED [KEGG_COMPOUND] synonym: "(S)-(6)-Gingerol" RELATED [ChemIDplus] synonym: "6-Gingerol" RELATED [HMDB] synonym: "6-Gingerol" RELATED [KEGG_COMPOUND] synonym: "[6]-Gingerol" RELATED [KEGG_COMPOUND] xref: CAS:23513-14-6 {source="ChemIDplus"} xref: CAS:23513-14-6 {source="KEGG COMPOUND"} xref: HMDB:HMDB0005783 xref: KEGG:C10462 xref: KNApSAcK:C00002748 xref: LINCS:LSM-2569 xref: MetaCyc:CPD-13494 xref: PMID:22719783 {source="Europe PMC"} xref: PMID:23369342 {source="Europe PMC"} xref: PMID:23437345 {source="Europe PMC"} xref: PMID:23519881 {source="Europe PMC"} xref: Reaxys:5287467 {source="Reaxys"} xref: Wikipedia:Gingerol 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 "C17H26O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NLDDIKRKFXEWBK-AWEZNQCLSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "294.38590" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "294.18311" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1" xsd:string [Term] id: CHEBI:10223 name: alpha-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 [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 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 [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 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] xref: Beilstein:8971047 {source="Beilstein"} xref: CAS:11114-20-8 {source="KEGG COMPOUND"} xref: CAS:11114-20-8 {source="ChemIDplus"} 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:10607 name: n-propyl gallate namespace: chebi_ontology subset: 2_STAR synonym: "n-Propyl gallate" EXACT [KEGG_COMPOUND] synonym: "Propyl gallate" RELATED [KEGG_COMPOUND] xref: CAS:121-79-9 {source="KEGG COMPOUND"} xref: HMDB:HMDB0033835 xref: KEGG:C11155 xref: KEGG:D02382 is_a: CHEBI:24676 ! hydroxybenzoic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H12O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZTHYODDOHIVTJV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "212.200" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "212.06847" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCOC(=O)c1cc(O)c(O)c(O)c1" xsd:string [Term] id: CHEBI:10782 name: (S)-(-)-perillyl alcohol namespace: chebi_ontology def: "A perillyl alcohol in which the chiral centre has S configuration." [] subset: 3_STAR synonym: "(-)-Perillylalcohol" RELATED [KEGG_COMPOUND] synonym: "(4S)-perillyl alcohol" RELATED [UniProt] synonym: "4-isopropenylcyclohex-1-en-1-ylmethanol" RELATED [ChEBI] synonym: "[(4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol" EXACT IUPAC_NAME [IUPAC] synonym: "p-Mentha-1,8-dien-7-ol" RELATED [KEGG_COMPOUND] synonym: "Perillyl alcohol" RELATED [KEGG_COMPOUND] xref: CAS:18457-55-1 {source="KEGG COMPOUND"} xref: CAS:536-59-4 {source="KEGG COMPOUND"} xref: KEGG:C02452 xref: KNApSAcK:C00010885 xref: LIPID_MAPS_instance:LMPR0102090008 {source="LIPID MAPS"} xref: MetaCyc:CPD-261 xref: PMID:24125633 {source="Europe PMC"} xref: PMID:24623736 {source="Europe PMC"} xref: PMID:28233648 {source="Europe PMC"} xref: Reaxys:2501605 {source="Reaxys"} is_a: CHEBI:15420 ! perillyl alcohol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H16O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3/t10-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NDTYTMIUWGWIMO-SNVBAGLBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "152.23340" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "152.12012" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=C)[C@H]1CCC(CO)=CC1" xsd:string [Term] id: CHEBI:108 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:123 name: (-)-Variabilin namespace: chebi_ontology subset: 2_STAR synonym: "(-)-Variabilin" EXACT [KEGG_COMPOUND] xref: CAS:3187-52-8 {source="KEGG COMPOUND"} xref: KEGG:C10539 xref: KNApSAcK:C00002582 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 "C17H16O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C17H16O5/c1-19-10-3-5-12-14(7-10)21-9-17(18)13-6-4-11(20-2)8-15(13)22-16(12)17/h3-8,16,18H,9H2,1-2H3/t16-,17+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VVPGAJNPGZZNBM-SJORKVTESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "300.307" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "300.09977" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc2c(O[C@@H]3c4ccc(OC)cc4OC[C@]23O)c1" 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: "IN00106" RELATED [ChEBI] 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:131498 is_a: CHEBI:24698 ! hydroxyflavone [Term] id: CHEBI:131499 is_a: CHEBI:24698 ! hydroxyflavone [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 ! omega-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 is_a: CHEBI:25481 ! naphthoquinone [Term] id: CHEBI:132142 name: 1,4-naphthoquinones 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:132853 name: acteoside namespace: chebi_ontology alt_id: CHEBI:9953 def: "A glycoside that is the alpha-L-rhamnosyl-(1->3)-beta-D-glucoside of hydroxytyrosol in which the hydroxy group at position 4 of the glucopyranosyl moiety has undergone esterification by formal condensation with trans-caffeic acid." [] subset: 3_STAR synonym: "2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "2-(3,4-dihydroxyphenyl)ethyl 3-O-(alpha-L-rhamnopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside" RELATED [ChEBI] synonym: "kusaginin" RELATED [ChemIDplus] synonym: "verbascoside" RELATED [ChemIDplus] xref: CAS:61276-17-3 {source="ChemIDplus"} xref: CAS:61276-17-3 {source="KEGG COMPOUND"} xref: HMDB:HMDB0034843 xref: KEGG:C10501 xref: KNApSAcK:C00002783 xref: PMID:10432210 {source="Europe PMC"} xref: PMID:25628651 {source="Europe PMC"} xref: PMID:25900014 {source="Europe PMC"} xref: PMID:25900087 {source="Europe PMC"} xref: PMID:26427909 {source="Europe PMC"} xref: PMID:26453510 {source="Europe PMC"} xref: PMID:26700563 {source="Europe PMC"} xref: PMID:26827721 {source="Europe PMC"} xref: PMID:26856531 {source="Europe PMC"} xref: PMID:26981096 {source="Europe PMC"} xref: PMID:26990576 {source="Europe PMC"} xref: PMID:27096224 {source="Europe PMC"} xref: PMID:27125592 {source="Europe PMC"} xref: PMID:27191581 {source="Europe PMC"} xref: PMID:27223850 {source="Europe PMC"} xref: PMID:27326537 {source="Europe PMC"} xref: PMID:27428333 {source="Europe PMC"} xref: Reaxys:1278646 {source="Reaxys"} xref: Wikipedia:Verbascoside is_a: CHEBI:26195 ! polyphenol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C29H36O15" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FBSKJMQYURKNSU-ZLSOWSIRSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "624.588" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "624.20542" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[C@H]1([C@H]([C@@H](O[C@@H]([C@H]1OC(/C=C/C=2C=CC(=C(C2)O)O)=O)CO)OCCC=3C=C(C(=CC3)O)O)O)O[C@@H]4O[C@H]([C@@H]([C@H]([C@H]4O)O)O)C" xsd:string [Term] id: CHEBI:133348 name: glycitein 7-(6-O-acetyl-beta-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" EXACT [] 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:34778 ! glycitein 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:133365 name: pelargonin namespace: chebi_ontology alt_id: CHEBI:7951 def: "An anthocyanidin glycoside that is pelargonidin in which the two phenolic hydrogens at positions 3 and 5 have been replaced by beta-D-glucosyl residues." [] subset: 3_STAR synonym: "3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyran-1-ium-5-yl beta-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "Pelargonidin 3,5-di-beta-D-glucopyranoside" RELATED [HMDB] synonym: "Pelargonidin 3,5-di-beta-D-glucoside" RELATED [KEGG_COMPOUND] synonym: "pelargonidin 3,5-di-O-beta-D-glucoside" RELATED [ChEBI] synonym: "pelargonidin 3,5-di-O-beta-glucoside" RELATED [ChEBI] synonym: "Pelargonidin 3,5-diglucoside" RELATED [HMDB] synonym: "pelargonidin 3,5-O-diglucoside" RELATED [ChEBI] xref: AGR:IND20370875 {source="Europe PMC"} xref: AGR:IND44068587 {source="Europe PMC"} xref: AGR:IND44185850 {source="Europe PMC"} xref: AGR:IND44517122 {source="Europe PMC"} xref: AGR:IND500657886 {source="Europe PMC"} xref: CAS:17334-58-6 {source="KEGG COMPOUND"} xref: Chemspider:390369 xref: HMDB:HMDB0033681 xref: KEGG:C08725 xref: KNApSAcK:C00002387 xref: LIPID_MAPS_instance:LMPK12010015 {source="LIPID MAPS"} xref: PMID:10637045 {source="Europe PMC"} xref: PMID:16395794 {source="Europe PMC"} xref: PMID:21936496 {source="Europe PMC"} xref: PMID:23132311 {source="Europe PMC"} xref: PMID:23216001 {source="Europe PMC"} xref: PMID:24493900 {source="Europe PMC"} xref: PMID:25650327 {source="Europe PMC"} xref: Reaxys:3827597 {source="Reaxys"} xref: Wikipedia:Pelargonin is_a: CHEBI:26195 ! polyphenol 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/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31)/p+1/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SLCKJKWFULXZBD-ZOTFFYTFSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "595.527" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "595.16575" 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=2C=C3C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)=CC(O)=CC3=[O+]C2C5=CC=C(O)C=C5)CO" xsd:string [Term] id: CHEBI:134345 name: deoxyhumulone namespace: chebi_ontology def: "A 2-acyl-4,6-diprenylphloroglucinol in which the acyl group is specified as 3-methylbutanoyl." [] subset: 3_STAR synonym: "3,5-Bis(3-methyl-2-butenyl)phlorisovalerophenone" RELATED [HMDB] synonym: "3,5-diprenylphlorisovalerophenone" RELATED [ChEBI] synonym: "4-Deoxy-humulone" RELATED [HMDB] synonym: "4-Deoxyhumulone" RELATED [ChemIDplus] synonym: "deoxyhumulone" EXACT [UniProt] synonym: "diprenylphlorisovalerophenone" RELATED [MetaCyc] xref: CAS:4374-93-0 {source="ChemIDplus"} xref: HMDB:HMDB0036624 xref: MetaCyc:CPD-7105 xref: PMID:25564559 {source="SUBMITTER"} xref: Reaxys:2061212 {source="Reaxys"} is_a: CHEBI:33853 ! phenols property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H30O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H30O4/c1-12(2)7-9-15-19(23)16(10-8-13(3)4)21(25)18(20(15)24)17(22)11-14(5)6/h7-8,14,23-25H,9-11H2,1-6H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NQYBQBZOHCACCR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "346.461" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "346.21441" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(O)=C(CC=C(C)C)C(=C(C(O)=C1CC=C(C)C)C(=O)CC(C)C)O" 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: "eupatorin" EXACT [UniProt] 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:1387 is_a: CHEBI:18135 ! catechol [Term] id: CHEBI:140677 name: 4-hydroxy-all-trans-beta-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" EXACT [] xref: MetaCyc:CPD-17650 {source="SUBMITTER"} xref: PMID:15659105 {source="SUBMITTER"} is_a: CHEBI:17579 ! beta-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:141540 name: Myricanone namespace: chebi_ontology def: "A cyclic ketone isolated from the bark of Morella species and has been shown to exhibit cytotoxic activity against cancer cells." [] subset: 3_STAR xref: CAS:32492-74-3 {source="KNApSAcK"} xref: CAS:32492-74-3 {source="ChemIDplus"} xref: Chemspider:142062 {source="SUBMITTER"} xref: FooDB:FDB002739 xref: HMDB:HMDB0030798 xref: KNApSAcK:C00033235 xref: PMID:10996724 {source="Europe PMC"} xref: PMID:11848211 {source="Europe PMC"} xref: PMID:12413852 {source="Europe PMC"} xref: PMID:23066712 {source="Europe PMC"} xref: PMID:23972241 {source="Europe PMC"} xref: PMID:24299604 {source="Europe PMC"} xref: PMID:24810013 {source="Europe PMC"} xref: PMID:25720464 {source="Europe PMC"} xref: PMID:27492128 {source="Europe PMC"} xref: PMID:29257058 {source="Europe PMC"} xref: Reaxys:2064341 {source="Reaxys"} xref: Wikipedia:Myricanone is_a: CHEBI:78802 ! diarylheptanoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H24O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H24O5/c1-25-20-17-12-14(19(24)21(20)26-2)5-3-4-6-15(22)9-7-13-8-10-18(23)16(17)11-13/h8,10-12,23-24H,3-7,9H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZTSNTUQTNQSIDC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "356.413" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "356.16237" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O(C1=C2C=C(CCCCC(=O)CCC3=CC2=C(O)C=C3)C(O)=C1OC)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:38697 ! anthocyanin is_a: CHEBI:75314 ! peonidin 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:143237 name: 2-O-sulfate-4-hydroxyacetophenone namespace: chebi_ontology def: "An acetophenone substituted by a sulfooxy group at position 2 and by a hydroxy group at position 4." [] subset: 3_STAR synonym: "2,4-dihydroxyacetophenone 5-sulfate" RELATED [ChEBI] synonym: "2-acetyl-5-hydroxyphenyl hydrogen sulfate" EXACT IUPAC_NAME [IUPAC] xref: FooDB:FDB029801 xref: HMDB:HMDB0041646 xref: Pubchem:10657183 {source="SUBMITTER"} is_a: CHEBI:33853 ! phenols property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H8O6S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H8O6S/c1-5(9)7-3-2-6(10)4-8(7)14-15(11,12)13/h2-4,10H,1H3,(H,11,12,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "COXWPCPYWFBNJH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "232.210" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "232.00416" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O(C1=C(C=CC(O)=C1)C(=O)C)S(O)(=O)=O" xsd:string [Term] id: CHEBI:145012 name: rebaudioside A namespace: chebi_ontology def: "A rebaudioside that is rubusoside in which the hydroxy groups at positions 3 and 4 of the beta-D-glucopyranosyloxy group at the 13alpha position have both been converted to the corresponding beta-D-glucopyranoside." [] subset: 3_STAR synonym: "1-O-(13alpha-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}-18-oxo-5beta,8alpha,9beta,10alpha-kaur-16-en-18-yl)-beta-D-glucopyranose" EXACT IUPAC_NAME [IUPAC] synonym: "13-[(2-O-beta-D-glucopyranosyl-3-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-ent-kaur-16-en-19-oic acid beta-D-glucopyranosyl ester" RELATED [IUPAC] synonym: "19-O-beta-glucopyranosyl-13-O-(beta-glucopyranosyl(1-2)-beta-glucopyranosyl(1-3))-beta-glucopyranosyl-13-hydroxykaur-16-en-19-oic acid" RELATED [ChemIDplus] synonym: "19-O-beta-glucopyranosyl-13-O-(beta-glucopyranosyl(1-2)-beta-glucopyranosyl(1-3))-beta-glucopyranosylsteviol" RELATED [ChemIDplus] synonym: "Reb A" RELATED [ChemIDplus] synonym: "Reb-A" RELATED [ChemIDplus] synonym: "rebaudioside A" EXACT [UniProt] synonym: "rebaudioside-A" RELATED [ChemIDplus] synonym: "Stevia" RELATED BRAND_NAME [ChEBI] synonym: "Sweetener 4G-S" RELATED [ChemIDplus] xref: AGR:IND606339833 {source="Europe PMC"} xref: CAS:58543-16-1 {source="ChemIDplus"} xref: FooDB:FDB013543 xref: HMDB:HMDB0034950 xref: KNApSAcK:C00023175 xref: MetaCyc:CPD-14506 xref: PMID:15610349 {source="SUBMITTER"} xref: PMID:25353385 {source="Europe PMC"} xref: PMID:26776281 {source="Europe PMC"} xref: PMID:27352150 {source="Europe PMC"} xref: PMID:27638403 {source="Europe PMC"} xref: PMID:28218969 {source="Europe PMC"} xref: PMID:29262312 {source="Europe PMC"} xref: PMID:29355553 {source="Europe PMC"} xref: PMID:29433626 {source="Europe PMC"} xref: PMID:29461634 {source="Europe PMC"} xref: PMID:29655729 {source="Europe PMC"} xref: PMID:30291959 {source="Europe PMC"} xref: PMID:30666114 {source="Europe PMC"} xref: PMID:30883860 {source="Europe PMC"} xref: PMID:31030274 {source="Europe PMC"} xref: PMID:31159256 {source="Europe PMC"} xref: PMID:31324778 {source="SUBMITTER"} xref: Wikipedia:Rebaudioside_A is_a: CHEBI:26873 ! terpenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C44H70O23" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C44H70O23/c1-17-11-43-9-5-22-41(2,7-4-8-42(22,3)40(59)66-38-33(58)30(55)26(51)20(14-47)62-38)23(43)6-10-44(17,16-43)67-39-35(65-37-32(57)29(54)25(50)19(13-46)61-37)34(27(52)21(15-48)63-39)64-36-31(56)28(53)24(49)18(12-45)60-36/h18-39,45-58H,1,4-16H2,2-3H3/t18-,19-,20-,21-,22+,23+,24-,25-,26-,27-,28+,29+,30+,31-,32-,33-,34+,35-,36+,37+,38+,39+,41-,42-,43-,44+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HELXLJCILKEWJH-NCGAPWICSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "967.021" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "966.43079" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[C@]123[C@]([C@]4([C@@]([C@](CCC4)(C)C(O[C@@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O)O)CO)=O)(CC1)[H])C)(CC[C@@](C2)(O[C@H]6[C@H](O[C@@H]7O[C@@H]([C@@H](O)[C@@H]([C@H]7O)O)CO)[C@H]([C@H](O)[C@H](O6)CO)O[C@@H]8O[C@@H]([C@@H](O)[C@@H]([C@H]8O)O)CO)C(C3)=C)[H]" xsd:string [Term] id: CHEBI:145013 name: rebaudioside B(1-) namespace: chebi_ontology subset: 2_STAR synonym: "rebaudioside B" RELATED [UniProt] xref: MetaCyc:CPD-14507 {source="SUBMITTER"} xref: PMID:15610349 {source="SUBMITTER"} xref: PMID:31324778 {source="SUBMITTER"} is_a: CHEBI:26873 ! terpenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C38H59O18" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(49)50)21(37)6-10-38(16,15-37)56-33-30(55-32-28(48)26(46)23(43)18(13-40)52-32)29(24(44)19(14-41)53-33)54-31-27(47)25(45)22(42)17(12-39)51-31/h17-33,39-48H,1,4-15H2,2-3H3,(H,49,50)/p-1/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27-,28-,29+,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DRSKVOAJKLUMCL-MMUIXFKXSA-M" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "803.873" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "803.37069" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[O-]C([C@]1([C@@]2([C@]([C@]3([C@]4(C[C@@](O[C@H]5[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@@H]([C@H]6O)O)CO)[C@H]([C@H](O)[C@H](O5)CO)O[C@@H]7O[C@@H]([C@@H](O)[C@@H]([C@H]7O)O)CO)(CC3)C(C4)=C)CC2)[H])(CCC1)C)[H])C)=O" xsd:string [Term] id: CHEBI:145018 name: rebaudioside E namespace: chebi_ontology def: "A rebaudioside that is stevioside in which the hydroxy group at position 2 of the glucosyl ester moiety has been converted into the corresponding beta-D-glucoside." [] subset: 3_STAR synonym: "(-)-rebaudioside E" RELATED [ChemIDplus] synonym: "(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl (4R,4aS,6aR,9S,11aR,11bS)-9-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-4,11b-dimethyl-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylate" RELATED [IUPAC] synonym: "2-O-beta-D-glucopyranosyl-1-O-({(4R,4aS,6aR,9S,11aR,11bS)-9-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-4,11b-dimethyl-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalen-4-yl}carbonyl)-beta-D-glucopyranose" EXACT IUPAC_NAME [IUPAC] synonym: "rebaudioside E" EXACT [UniProt] xref: CAS:63279-14-1 {source="ChemIDplus"} xref: Patent:EP1361870 xref: Patent:WO02060419 xref: PMID:24758242 {source="Europe PMC"} xref: PMID:26003514 {source="Europe PMC"} xref: PMID:29889557 {source="Europe PMC"} xref: PMID:31324778 {source="SUBMITTER"} is_a: CHEBI:26873 ! terpenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C44H70O23" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C44H70O23/c1-17-11-43-9-5-22-41(2,7-4-8-42(22,3)40(59)66-38-34(30(55)26(51)20(14-47)62-38)64-36-32(57)28(53)24(49)18(12-45)60-36)23(43)6-10-44(17,16-43)67-39-35(31(56)27(52)21(15-48)63-39)65-37-33(58)29(54)25(50)19(13-46)61-37/h18-39,45-58H,1,4-16H2,2-3H3/t18-,19-,20-,21-,22+,23+,24-,25-,26-,27-,28+,29+,30+,31+,32-,33-,34-,35-,36+,37+,38+,39+,41-,42-,43-,44+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RLLCWNUIHGPAJY-SFUUMPFESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "967.021" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "966.43079" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O([C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO)O)CO)C([C@]3([C@@]4([C@]([C@]5([C@]6(C[C@@](CC5)(C(C6)=C)O[C@H]7[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@@H]([C@H]8O)O)CO)[C@H]([C@H](O)[C@H](O7)CO)O)CC4)[H])(CCC3)C)[H])C)=O" xsd:string [Term] id: CHEBI:145022 name: rebaudioside D namespace: chebi_ontology def: "A rebaudioside that is rebaudioside A in which the hydroxy group at position 2 of the beta-D-glucosyl ester moiety has been converted to the corresponding beta-D-glucoside. Found in minute quantities in the leaves of Stevia rebaudiana." [] subset: 3_STAR synonym: "(-)-rebaudioside D" RELATED [ChemIDplus] synonym: "2-O-beta-D-glucopyranosyl-1-O-(13alpha-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}-18-oxo-5beta,8alpha,9beta,10alpha-kaur-16-en-18-yl)-beta-D-glucopyranose" EXACT IUPAC_NAME [IUPAC] synonym: "Reb D" RELATED [ChEBI] synonym: "Reb-D" RELATED [ChEBI] synonym: "rebaudioside D" EXACT [UniProt] synonym: "rebaudioside-D" RELATED [ChEBI] xref: CAS:63279-13-0 {source="ChemIDplus"} xref: FooDB:FDB013541 xref: HMDB:HMDB0034948 xref: KNApSAcK:C00036203 xref: Patent:US2010316782 xref: Patent:US2011104353 xref: Patent:WO2010146463 xref: Patent:WO2011056834 xref: PMID:23203115 {source="Europe PMC"} xref: PMID:23766392 {source="Europe PMC"} xref: PMID:24187601 {source="Europe PMC"} xref: PMID:25233591 {source="Europe PMC"} xref: PMID:25529720 {source="Europe PMC"} xref: PMID:27923373 {source="Europe PMC"} xref: PMID:29680056 {source="Europe PMC"} xref: PMID:31182573 {source="SUBMITTER"} is_a: CHEBI:26873 ! terpenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C50H80O28" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C50H80O28/c1-18-11-49-9-5-24-47(2,7-4-8-48(24,3)46(68)77-44-39(34(64)29(59)22(15-54)72-44)75-42-36(66)32(62)27(57)20(13-52)70-42)25(49)6-10-50(18,17-49)78-45-40(76-43-37(67)33(63)28(58)21(14-53)71-43)38(30(60)23(16-55)73-45)74-41-35(65)31(61)26(56)19(12-51)69-41/h19-45,51-67H,1,4-17H2,2-3H3/t19-,20-,21-,22-,23-,24+,25+,26-,27-,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38+,39-,40-,41+,42+,43+,44+,45+,47-,48-,49-,50+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RPYRMTHVSUWHSV-CUZJHZIBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "1129.162" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "1128.48361" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[C@]123[C@]([C@]4([C@@]([C@](CCC4)(C)C(O[C@@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O[C@@H]6O[C@@H]([C@@H](O)[C@@H]([C@H]6O)O)CO)O)CO)=O)(CC1)[H])C)(CC[C@@](C2)(O[C@H]7[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@@H]([C@H]8O)O)CO)[C@H]([C@H](O)[C@H](O7)CO)O[C@@H]9O[C@@H]([C@@H](O)[C@@H]([C@H]9O)O)CO)C(C3)=C)[H]" xsd:string [Term] id: CHEBI:145027 name: steviol glycoside namespace: chebi_ontology def: "A diterpene glycoside derived from steviol by formal esterification of the carboxy group with glucose (or a glucose derivative) and glycosylation of the tertiary hydroxy group with combinations of glucose and rhamnose to give the corresponding glycosides." [] subset: 3_STAR synonym: "steviol glycosides" RELATED [ChEBI] xref: PMID:29537255 {source="Europe PMC"} xref: PMID:29863335 {source="Europe PMC"} xref: PMID:30466787 {source="Europe PMC"} xref: PMID:30506508 {source="Europe PMC"} xref: PMID:30897351 {source="Europe PMC"} xref: PMID:31063378 {source="Europe PMC"} xref: PMID:31195254 {source="Europe PMC"} xref: PMID:31295559 {source="Europe PMC"} xref: PMID:31438580 {source="Europe PMC"} xref: PMID:31491712 {source="Europe PMC"} xref: Wikipedia:Steviol_glycoside is_a: CHEBI:23849 ! diterpenoid [Term] id: CHEBI:145829 name: trilobatin namespace: chebi_ontology def: "An aryl beta-D-glucoside that is phloretin attached to a beta-D-glucopyranosyl residue at position 4' via a glycosidic linkage. It is isolated from the leaves of the Chinese sweet tea Lithocarpus polystachyus and exhibits significant anti-hyperglycemic, anti-oxidative and anti-inflammatory properties." [] subset: 3_STAR synonym: "1-(4-(beta-D-glucopyranosyloxy)-2,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone" RELATED [ChemIDplus] synonym: "3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl beta-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "p-phloridzin" RELATED [ChemIDplus] synonym: "p-phlorizin" RELATED [ChemIDplus] synonym: "phloretin-4'-beta-D-glucopyranoside" RELATED [ChEBI] synonym: "phloretin-4'-beta-D-glucoside" RELATED [ChEBI] synonym: "trilobatin" EXACT [UniProt] xref: AGR:IND601124268 {source="Europe PMC"} xref: AGR:IND605946551 {source="Europe PMC"} xref: AGR:IND606090210 {source="Europe PMC"} xref: CAS:4192-90-9 {source="ChemIDplus"} xref: FooDB:FDB016580 xref: HMDB:HMDB0037505 xref: KNApSAcK:C00007991 xref: LIPID_MAPS_instance:LMPK12120518 {source="LIPID MAPS"} xref: PMID:22792798 {source="Europe PMC"} xref: PMID:23562371 {source="Europe PMC"} xref: PMID:25053100 {source="Europe PMC"} xref: PMID:26363372 {source="Europe PMC"} xref: PMID:27893760 {source="Europe PMC"} xref: PMID:28450013 {source="Europe PMC"} xref: PMID:29757201 {source="Europe PMC"} xref: PMID:29802645 {source="Europe PMC"} xref: PMID:29865928 {source="Europe PMC"} xref: PMID:31540429 {source="Europe PMC"} 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 "C21H24O10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-12-7-14(25)17(15(26)8-12)13(24)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-23,25-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GSTCPEBQYSOEHV-QNDFHXLGSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "436.413" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "436.13695" 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]1OC2=CC(O)=C(C(O)=C2)C(=O)CCC3=CC=C(O)C=C3)CO" xsd:string [Term] id: CHEBI:145967 name: 5-heptadecylresorcinol namespace: chebi_ontology def: "A 5-alkylresorcinol that is resorcinol which is substituted by a heptadecyl group at position 5. It is found in wheat bran." [] subset: 3_STAR synonym: "1,3-dihydroxy-5-n-heptadecylbenzene" RELATED [ChEBI] synonym: "5-heptadecyl-1,3-benzenediol" RELATED [ChEBI] synonym: "5-heptadecyl-1,3-dihydroxybenzene" RELATED [ChEBI] synonym: "5-heptadecylbenzene-1,3-diol" EXACT IUPAC_NAME [IUPAC] synonym: "5-heptadecylresorcinol" EXACT [ChEBI] synonym: "5-n-heptadecylresorcinol" RELATED [LIPID_MAPS] xref: AGR:IND601124237 {source="Europe PMC"} xref: CAS:41442-57-3 {source="ChemIDplus"} xref: FooDB:FDB017915 xref: HMDB:HMDB0038530 xref: LIPID_MAPS_instance:LMPK15030003 {source="LIPID MAPS"} xref: PMID:15241924 {source="Europe PMC"} xref: PMID:17542491 {source="Europe PMC"} xref: PMID:18297470 {source="Europe PMC"} xref: PMID:21658963 {source="Europe PMC"} xref: PMID:28252007 {source="Europe PMC"} xref: PMID:8579682 {source="Europe PMC"} xref: Reaxys:2287460 {source="Reaxys"} is_a: CHEBI:33570 ! benzenediols property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C23H40O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C23H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h18-20,24-25H,2-17H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BBGNINPPDHJETF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "348.571" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "348.30283" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=CC(=CC(=C1)CCCCCCCCCCCCCCCCC)O)O" xsd:string [Term] id: CHEBI:145969 name: 5-tricosylresorcinol namespace: chebi_ontology def: "A 5-alkylresorcinol that is resorcinol which is substituted by a tricosyl group at position 5. It is found in wheat bran." [] subset: 3_STAR synonym: "1,3-dihydroxy-5-n-tricosylbenzene" RELATED [ChEBI] synonym: "1,3-dihydroxy-5-tricosylbenzene" RELATED [ChEBI] synonym: "5-n-tricosylresorcinol" RELATED [LIPID_MAPS] synonym: "5-tricosyl-1,3-benzenediol" RELATED [ChEBI] synonym: "5-tricosylbenzene-1,3-diol" EXACT IUPAC_NAME [IUPAC] synonym: "5-tricosylresorcinol" EXACT [HMDB] xref: CAS:70110-60-0 {source="ChemIDplus"} xref: FooDB:FDB017907 xref: HMDB:HMDB0038524 xref: LIPID_MAPS_instance:LMPK15030006 {source="LIPID MAPS"} xref: PMID:11140535 {source="Europe PMC"} xref: PMID:15241924 {source="Europe PMC"} xref: PMID:18998408 {source="Europe PMC"} xref: PMID:21658963 {source="Europe PMC"} xref: PMID:28208738 {source="Europe PMC"} xref: PMID:30795501 {source="Europe PMC"} xref: PMID:457611 {source="Europe PMC"} xref: PMID:7462162 {source="Europe PMC"} is_a: CHEBI:33570 ! benzenediols property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C29H52O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C29H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-24-28(30)26-29(31)25-27/h24-26,30-31H,2-23H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OHTBGMREZYLZQD-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "432.733" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "432.39673" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1(=CC(=CC(=C1)CCCCCCCCCCCCCCCCCCCCCCC)O)O" xsd:string [Term] id: CHEBI:149610 name: (+)-catechin-3'-methyl ether namespace: chebi_ontology def: "A member of the class of catechins that is (+)-catechin in which the hydroxy group at position 3' has been replaced by a methoxy group. It is a metabolite of (+)-catechin, a major polyphenol found in several fruits and vegetables." [] subset: 3_STAR synonym: "(+)-3'-O-methylcatechin" RELATED [ChEBI] synonym: "(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol" RELATED [IUPAC] synonym: "(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol" EXACT IUPAC_NAME [IUPAC] synonym: "(2R-trans)-3,4-dihydro-2-(4-hydroxy-3-methoxyphenyl)-2H-1-benzopyran-3,5,7-triol" RELATED [ChEBI] synonym: "3'-O-methyl-(+)-catechin" RELATED [ChEBI] synonym: "3'-O-methylcatechin" RELATED [HMDB] synonym: "3'-O-methylcyanidanol" RELATED [ChEBI] xref: CAS:60383-97-3 {source="ChEBI"} xref: FooDB:FDB021479 xref: HMDB:HMDB0041507 xref: LIPID_MAPS_instance:LMPK12020142 {source="LIPID MAPS"} xref: PMID:10460201 {source="Europe PMC"} xref: PMID:14611196 {source="Europe PMC"} xref: PMID:17536823 {source="Europe PMC"} xref: PMID:18251504 {source="Europe PMC"} xref: PMID:25612442 {source="Europe PMC"} xref: PMID:3604252 {source="Europe PMC"} xref: PMID:6111433 {source="Europe PMC"} xref: PMID:6861797 {source="Europe PMC"} xref: PMID:7669281 {source="Europe PMC"} is_a: CHEBI:26195 ! polyphenol 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+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NJHJXXLBWQXMRO-XJKSGUPXSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "304.298" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "304.09469" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1([C@H]2OC3=C(C[C@@H]2O)C(=CC(=C3)O)O)=CC=C(C(=C1)OC)O" xsd:string [Term] id: CHEBI:150326 name: isomalt namespace: chebi_ontology alt_id: CHEBI:140428 def: "A diastereoisomeric mixture composed of 1-O-alpha-D-glucopyranosyl-D-mannitol dihydrate and 6-O-alpha-D-glucopyranosyl-D-glucitol in a 1:1 ratio. It is used in the food industry as a sugar substitute and in the pharmaceutical industry as a tabletting excipient." [] subset: 3_STAR synonym: "6-O-alpha-D-glucopyranosyl-D-glucitol mixed with 1-O-alpha-D-glucopyranosyl-D-mannitol" RELATED [ChemIDplus] synonym: "6-O-alpha-D-glucopyranosyl-D-glucitol--1-O-alpha-D-glucopyranosyl-D-mannitol--water (1/1/2)" EXACT IUPAC_NAME [IUPAC] synonym: "C* PharmIsoMaltidex" RELATED BRAND_NAME [ChEBI] synonym: "E 953" RELATED [ChEBI] synonym: "E953" RELATED [ChEBI] synonym: "GalenIQ" RELATED BRAND_NAME [ChEBI] synonym: "hydrogenated isomaltulose" RELATED [ChEBI] synonym: "IsoMaltidex" RELATED BRAND_NAME [ChemIDplus] synonym: "palatinit" RELATED [ChemIDplus] synonym: "palatinitol" RELATED [ChemIDplus] xref: AGR:IND605400803 {source="Europe PMC"} xref: AGR:IND605716066 {source="Europe PMC"} xref: AGR:IND607070168 {source="Europe PMC"} xref: AGR:IND607703806 {source="Europe PMC"} xref: CAS:64519-82-0 {source="ChemIDplus"} xref: Chemspider:2299218 xref: PMID:19327398 {source="Europe PMC"} xref: PMID:21426952 {source="Europe PMC"} xref: PMID:23225025 {source="Europe PMC"} xref: PMID:23827942 {source="Europe PMC"} xref: PMID:24300366 {source="Europe PMC"} xref: PMID:24996006 {source="Europe PMC"} xref: PMID:25671493 {source="Europe PMC"} xref: PMID:27059921 {source="Europe PMC"} xref: PMID:27321131 {source="Europe PMC"} xref: PMID:28024614 {source="Europe PMC"} xref: PMID:29341910 {source="Europe PMC"} xref: PMID:30267819 {source="Europe PMC"} xref: PMID:31678381 {source="Europe PMC"} xref: PMID:32619664 {source="Europe PMC"} xref: PMID:33011867 {source="Europe PMC"} xref: PMID:33851132 {source="Europe PMC"} xref: PMID:33895296 {source="Europe PMC"} xref: PMID:34925781 {source="Europe PMC"} xref: PMID:425707 {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/mass "344.313" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "344.13186" xsd:string [Term] id: CHEBI:15035 name: retinal namespace: chebi_ontology def: "An enal that consists of 3,7-dimethyl-9-nona-2,4,6,8-tetraenal (double bond geometry unspecified) carrying a 2,6,6-trimethylcyclohex-1-en-1-yl group at the 9-position." [] subset: 3_STAR synonym: "3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal" EXACT IUPAC_NAME [IUPAC] synonym: "retinal" EXACT [UniProt] xref: MetaCyc:Retinals xref: Reaxys:2055098 {source="Reaxys"} is_a: CHEBI:26873 ! terpenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H28O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NCYCYZXNIZJOKI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "284.43572" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "284.21402" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=O)C=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C" xsd:string [Term] id: CHEBI:15138 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: CHEBI:72544 ! flavonoids 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:15396 name: (R)-camphor namespace: chebi_ontology alt_id: CHEBI:10758 alt_id: CHEBI:16 alt_id: CHEBI:18442 alt_id: CHEBI:41334 def: "The (R)- enantiomer of camphor." [] subset: 3_STAR synonym: "(+)-bornan-2-one" RELATED [ChemIDplus] synonym: "(+)-Camphor" RELATED [KEGG_COMPOUND] synonym: "(1R)-(+)-camphor" RELATED [NIST_Chemistry_WebBook] synonym: "(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one" EXACT IUPAC_NAME [IUPAC] synonym: "(1R,4R)-camphor" RELATED [UniProt] synonym: "(R)-(+)-camphor" RELATED [ChemIDplus] synonym: "(R)-camphor" EXACT [ChemIDplus] synonym: "CAMPHOR" RELATED [PDBeChem] synonym: "Camphor(D)" RELATED [NIST_Chemistry_WebBook] synonym: "D-Camphor" RELATED [KEGG_COMPOUND] xref: Beilstein:2042745 {source="Beilstein"} xref: CAS:464-49-3 {source="ChemIDplus"} xref: CAS:464-49-3 {source="NIST Chemistry WebBook"} xref: CAS:464-49-3 {source="KEGG COMPOUND"} xref: CAS:76-22-2 {source="KEGG COMPOUND"} xref: Gmelin:83276 {source="Gmelin"} xref: HMDB:HMDB0059838 xref: KEGG:C00808 xref: KEGG:D06392 xref: KNApSAcK:C00000819 xref: MetaCyc:CPD-862 xref: PDBeChem:CAM xref: PMID:12231778 {source="Europe PMC"} xref: PMID:24288289 {source="Europe PMC"} xref: Reaxys:2042745 {source="Reaxys"} xref: UM-BBD_compID:c0407 {source="UM-BBD"} is_a: CHEBI:26873 ! terpenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H16O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DSSYKIVIOFKYAU-XCBNKYQSSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "152.23344" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "152.12012" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2" xsd:string [Term] id: CHEBI:15398 name: (+)-exo-5-hydroxycamphor namespace: chebi_ontology alt_id: CHEBI:10762 alt_id: CHEBI:18448 alt_id: CHEBI:41399 alt_id: CHEBI:57 subset: 3_STAR synonym: "(+)-exo-5-Hydroxycamphor" EXACT [KEGG_COMPOUND] synonym: "(1R,4R,5R)-5-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one" EXACT IUPAC_NAME [IUPAC] synonym: "(1R,4R,5R)-5-hydroxycamphor" RELATED [UniProt] synonym: "5-EXO-HYDROXYCAMPHOR" RELATED [PDBeChem] xref: Beilstein:2044882 {source="Beilstein"} xref: DrugBank:DB02817 xref: KEGG:C03448 xref: LIPID_MAPS_instance:LMPR0102120010 {source="LIPID MAPS"} xref: PDBeChem:CAH xref: UM-BBD_compID:c0408 {source="UM-BBD"} is_a: CHEBI:26873 ! terpenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H16O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H16O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6-7,11H,4-5H2,1-3H3/t6-,7+,10-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DJQYBVLXBVJHMU-PJKMHFRUSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "168.23284" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "168.11503" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12CC(=O)[C@](C)(C[C@H]1O)C2(C)C" xsd:string [Term] id: CHEBI:15399 name: (+)-carvone namespace: chebi_ontology alt_id: CHEBI:10759 alt_id: CHEBI:5 def: "A carvone having (S) configuration." [] subset: 3_STAR synonym: "(+)-(4S)-carvone" RELATED [ChEBI] synonym: "(+)-(S)-Carvone" RELATED [KEGG_COMPOUND] synonym: "(+)-Carvone" EXACT [KEGG_COMPOUND] synonym: "(4S)-p-mentha-1(6),8-dien-2-one" EXACT IUPAC_NAME [IUPAC] synonym: "(5S)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one" RELATED [ChemIDplus] synonym: "(5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one" EXACT IUPAC_NAME [IUPAC] synonym: "(S)-(+)-carvone" RELATED [NIST_Chemistry_WebBook] synonym: "(S)-(+)-p-mentha-6,8-dien-2-one" RELATED [ChemIDplus] synonym: "(S)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one" RELATED [ChemIDplus] synonym: "(S)-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-one" RELATED [ChemIDplus] synonym: "(S)-5-isopropenyl-2-methylcyclohex-2-en-1-one" RELATED [ChEBI] synonym: "(S)-carvone" RELATED [UniProt] synonym: "Carvol" RELATED [KEGG_COMPOUND] synonym: "Carvone" RELATED [KEGG_COMPOUND] synonym: "d-(+)-carvone" RELATED [NIST_Chemistry_WebBook] synonym: "d-carvone" RELATED [ChemIDplus] xref: Beilstein:2042970 {source="Beilstein"} xref: Beilstein:3588498 {source="Beilstein"} xref: Beilstein:6767373 {source="Beilstein"} xref: CAS:2244-16-8 {source="ChemIDplus"} xref: CAS:2244-16-8 {source="NIST Chemistry WebBook"} xref: CAS:2244-16-8 {source="KEGG COMPOUND"} xref: Gmelin:637294 {source="Gmelin"} xref: KEGG:C11383 xref: KNApSAcK:C00010891 xref: PMID:11380545 {source="Europe PMC"} xref: Reaxys:2042970 {source="Reaxys"} is_a: CHEBI:26873 ! terpenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H14O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3/t9-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ULDHMXUKGWMISQ-VIFPVBQESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "150.21756" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "150.10447" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=C)[C@H]1CC=C(C)C(=O)C1" xsd:string [Term] id: CHEBI:15420 name: perillyl alcohol namespace: chebi_ontology alt_id: CHEBI:14772 alt_id: CHEBI:18496 alt_id: CHEBI:8022 def: "A limonene monoterpenoid consists of a cyclohexene ring substituted by a hydroxymethyl and a prop-1-en-2-yl group at positions 1 and 4 respectively. It is a constituent of a variety of essential oils including lavender." [] subset: 3_STAR synonym: "1-Hydroxymethyl-4-isopropenyl-1-cyclohexene" RELATED [ChemIDplus] synonym: "1-perillalcohol" RELATED [NIST_Chemistry_WebBook] synonym: "4-(1-Methylethenyl)-1-cyclohexene-1-methanol" RELATED [ChemIDplus] synonym: "4-Isopropenyl-1-cyclohexene carbinol" RELATED [ChemIDplus] synonym: "4-Isopropenylcyclohex-1-en-1-ylmethanol" RELATED [ChemIDplus] synonym: "[4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol" EXACT IUPAC_NAME [IUPAC] synonym: "dihydrocuminyl alcoholn" RELATED [NIST_Chemistry_WebBook] synonym: "Isocarveol" RELATED [ChemIDplus] synonym: "p-Mentha-1,8-dien-7-ol" RELATED [ChemIDplus] synonym: "Perilla alcohol" RELATED [ChemIDplus] synonym: "Perillol" RELATED [ChemIDplus] synonym: "perillyl alcohol" EXACT [UniProt] xref: CAS:536-59-4 {source="ChemIDplus"} xref: CAS:536-59-4 {source="NIST Chemistry WebBook"} xref: HMDB:HMDB0003634 xref: MetaCyc:Perillyl-Alcohols xref: PMID:10379660 {source="Europe PMC"} xref: PMID:11840288 {source="Europe PMC"} xref: PMID:15210838 {source="Europe PMC"} xref: PMID:23727191 {source="Europe PMC"} xref: Reaxys:2044612 {source="Reaxys"} is_a: CHEBI:26873 ! terpenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H16O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NDTYTMIUWGWIMO-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "152.23344" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "152.12012" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(=C)C1CCC(CO)=CC1" 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:15600 name: (+)-catechin namespace: chebi_ontology alt_id: CHEBI:10862 alt_id: CHEBI:18 alt_id: CHEBI:18443 def: "The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite." [] subset: 3_STAR synonym: "(+)-(2R,3S)-5,7,3',4'-Tetrahydroxyflavan-3-ol" RELATED [ChemIDplus] synonym: "(+)-3',4',5,7-Tetrahydroxy-2,3-trans-flavan-3-ol" RELATED [ChemIDplus] synonym: "(+)-Catechin" EXACT [KEGG_COMPOUND] synonym: "(+)-Catechol" RELATED [ChemIDplus] synonym: "(+)-Cyanidan-3-ol" RELATED [ChemIDplus] synonym: "(2R,3S)-(+)-Catechin" RELATED [KEGG_COMPOUND] synonym: "(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-1H-chromene-3,5,7-triol" EXACT IUPAC_NAME [IUPAC] synonym: "(2R,3S)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol" RELATED [ChEBI] synonym: "(2R,3S)-Catechin" RELATED [KEGG_COMPOUND] synonym: "(2R,3S)-catechin" RELATED [UniProt] synonym: "(2R-trans)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-Benzopyran-3,5,7-triol" RELATED [KEGG_COMPOUND] synonym: "catechuic acid" RELATED [ChEBI] synonym: "Cianidanol" RELATED [KEGG_COMPOUND] synonym: "Cyanidanol" RELATED [KEGG_COMPOUND] synonym: "D-Catechin" RELATED [KEGG_COMPOUND] xref: CAS:154-23-4 {source="ChemIDplus"} xref: CAS:154-23-4 {source="KEGG COMPOUND"} xref: Drug_Central:629 {source="DrugCentral"} xref: HMDB:HMDB0002780 xref: KEGG:C06562 xref: KNApSAcK:C00000947 xref: LIPID_MAPS_instance:LMPK12020001 {source="LIPID MAPS"} xref: MetaCyc:CPD-1961 xref: PDBeChem:KXN xref: PMID:10617953 {source="Europe PMC"} xref: PMID:11196148 {source="Europe PMC"} xref: PMID:1502708 {source="Europe PMC"} xref: PMID:8224433 {source="Europe PMC"} xref: PMID:9438556 {source="Europe PMC"} xref: Reaxys:92761 {source="Reaxys"} xref: Wikipedia:Catechin 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 "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/t13-,15+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PFTAWBLQPZVEMU-DZGCQCFKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "290.26810" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "290.07904" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1" 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:15649 name: 3,6,9-trihydroxypterocarpan is_a: CHEBI:47916 ! flavonoid [Term] id: CHEBI:15712 name: 2,3-dihydrobiochanin A synonym: "2,3-dihydrobiochanin A" RELATED [] is_a: CHEBI:33853 ! phenols [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:15760 name: tyramine namespace: chebi_ontology alt_id: CHEBI:15276 alt_id: CHEBI:27174 alt_id: CHEBI:9799 def: "A primary amino compound obtained by formal decarboxylation of the amino acid tyrosine." [] subset: 3_STAR synonym: "2-(p-Hydroxyphenyl)ethylamine" RELATED [KEGG_COMPOUND] synonym: "4-(2-aminoethyl)phenol" EXACT IUPAC_NAME [IUPAC] synonym: "4-Hydroxy-beta-phenylethylamine" RELATED [HMDB] synonym: "4-hydroxyphenethylamine" RELATED [ChEBI] synonym: "4-Hydroxyphenylethylamine" RELATED [HMDB] synonym: "beta-(4-Hydroxyphenyl)ethylamine" RELATED [HMDB] synonym: "p-(2-Aminoethyl)phenol" RELATED [HMDB] synonym: "p-(2-aminoethyl)phenol" RELATED [ChEBI] synonym: "p-hydroxyphenethylamine" RELATED [HMDB] synonym: "p-hydroxyphenylethylamine" RELATED [HMDB] synonym: "p-tyramine" RELATED [HMDB] synonym: "Tyramin" RELATED [ChemIDplus] synonym: "Tyramine" EXACT [KEGG_COMPOUND] xref: Beilstein:1099914 {source="ChemIDplus"} xref: CAS:51-67-2 {source="ChemIDplus"} xref: CAS:51-67-2 {source="NIST Chemistry WebBook"} xref: CAS:51-67-2 {source="KEGG COMPOUND"} xref: Drug_Central:2784 {source="DrugCentral"} xref: Gmelin:82946 {source="Gmelin"} xref: HMDB:HMDB0000306 xref: KEGG:C00483 xref: KNApSAcK:C00001435 xref: LINCS:LSM-19016 xref: MetaCyc:TYRAMINE xref: PDBeChem:AEF xref: PMID:11361052 {source="Europe PMC"} xref: PMID:11919655 {source="Europe PMC"} xref: PMID:12183041 {source="Europe PMC"} xref: PMID:12707242 {source="Europe PMC"} xref: PMID:12811595 {source="Europe PMC"} xref: PMID:15000446 {source="Europe PMC"} xref: PMID:15848803 {source="Europe PMC"} xref: PMID:15932098 {source="Europe PMC"} xref: PMID:18422653 {source="Europe PMC"} xref: PMID:18970430 {source="Europe PMC"} xref: PMID:19137318 {source="Europe PMC"} xref: PMID:19189084 {source="Europe PMC"} xref: PMID:21570963 {source="Europe PMC"} xref: PMID:21628600 {source="Europe PMC"} xref: PMID:21651557 {source="Europe PMC"} xref: PMID:21679153 {source="Europe PMC"} xref: PMID:21850574 {source="Europe PMC"} xref: PMID:21909937 {source="Europe PMC"} xref: PMID:22735334 {source="Europe PMC"} xref: PMID:3137238 {source="Europe PMC"} xref: PMID:319927 {source="Europe PMC"} xref: PMID:6501508 {source="Europe PMC"} xref: PMID:9282832 {source="Europe PMC"} xref: PMID:9731223 {source="Europe PMC"} xref: Reaxys:1099914 {source="Reaxys"} xref: Wikipedia:Tyramine is_a: CHEBI:33853 ! phenols property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H11NO" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DZGWFCGJZKJUFP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "137.17900" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "137.08406" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCc1ccc(O)cc1" 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 ! omega-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: CHEBI:72544 ! flavonoids 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:15939 name: glycyrrhizinic acid namespace: chebi_ontology alt_id: CHEBI:24418 alt_id: CHEBI:5508 def: "A triterpenoid saponin that is the glucosiduronide derivative of 3beta-hydroxy-11-oxoolean-12-en-30-oic acid." [] subset: 3_STAR synonym: "(3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl-2-O-beta-D-glucopyranuronosyl-alpha-D-glucopyranosiduronic acid" RELATED [ChemIDplus] synonym: "30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-beta-D-glucopyranosyluronic acid)-alpha-D-glucopyranosiduronic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Glycyrrhizic acid" RELATED [KEGG_COMPOUND] synonym: "glycyrrhizic acid" RELATED [UniProt] synonym: "Glycyrrhizin" RELATED [KEGG_COMPOUND] xref: Beilstein:77922 {source="Beilstein"} xref: CAS:1405-86-3 {source="ChemIDplus"} xref: CAS:1405-86-3 {source="KEGG COMPOUND"} xref: Drug_Central:1325 {source="DrugCentral"} xref: HMDB:HMDB0029843 xref: KEGG:C02284 xref: LIPID_MAPS_instance:LMPR0106150013 {source="LIPID MAPS"} xref: MetaCyc:GLYCYRRHIZINATE xref: PMID:11282481 {source="Europe PMC"} xref: PMID:15013279 {source="Europe PMC"} xref: PMID:24497916 {source="Europe PMC"} xref: Reaxys:77922 {source="Reaxys"} xref: Wikipedia:Glycyrrhizin is_a: CHEBI:26873 ! terpenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C42H62O16" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54)/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LPLVUJXQOOQHMX-QWBHMCJMSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "822.93210" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "822.40379" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O" 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:23042 ! carotene 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:16104 name: 3-(2-hydroxyphenyl)propanoic acid namespace: chebi_ontology alt_id: CHEBI:1422 alt_id: CHEBI:19921 alt_id: CHEBI:19922 def: "A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 3 is substituted by a 2-hydroxyphenyl group." [] subset: 3_STAR synonym: "2-hydroxybenzenepropanoic acid" RELATED [ChemIDplus] synonym: "3-(2-hydroxyphenyl)propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "3-(2-Hydroxyphenyl)propionic acid" RELATED [KEGG_COMPOUND] synonym: "3-(2-hydroxyphenyl)propionic acid" RELATED [MetaCyc] synonym: "3-(o-hydroxyphenyl) propionic acid" RELATED [MetaCyc] synonym: "melilotic acid" RELATED [ChEBI] synonym: "o-Hydroxyphenylpropionic acid" RELATED [ChemIDplus] xref: Beilstein:1681601 {source="Beilstein"} xref: CAS:495-78-3 {source="ChemIDplus"} xref: CAS:495-78-3 {source="KEGG COMPOUND"} xref: KEGG:C01198 xref: KNApSAcK:C00002756 xref: MetaCyc:MELILOTATE xref: PMID:14243380 {source="Europe PMC"} xref: PMID:14269315 {source="Europe PMC"} xref: PMID:4192639 {source="Europe PMC"} xref: PMID:7483862 {source="Europe PMC"} xref: PMID:7839702 {source="Europe PMC"} xref: Reaxys:1681601 {source="Reaxys"} xref: UM-BBD_compID:c0398 {source="UM-BBD"} is_a: CHEBI:33853 ! phenols property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H10O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CJBDUOMQLFKVQC-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "166.17390" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "166.06299" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)CCc1ccccc1O" 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:36281 ! caffeic acid 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:16164 name: pyrogallol namespace: chebi_ontology alt_id: CHEBI:11135 alt_id: CHEBI:14985 alt_id: CHEBI:22708 alt_id: CHEBI:45264 alt_id: CHEBI:482 def: "A benzenetriol carrying hydroxy groups at positions 1, 2 and 3." [] subset: 3_STAR synonym: "1,2,3-Benzenetriol" RELATED [KEGG_COMPOUND] synonym: "1,2,3-Trihydroxybenzene" RELATED [KEGG_COMPOUND] synonym: "1,2,3-trihydroxybenzene" RELATED [UniProt] synonym: "benzene-1,2,3-triol" EXACT IUPAC_NAME [IUPAC] synonym: "benzene-1,2,3-triol" RELATED [ChEBI] synonym: "Pyrogallic acid" RELATED [KEGG_COMPOUND] synonym: "Pyrogallol" EXACT [KEGG_COMPOUND] xref: CAS:87-66-1 {source="KEGG COMPOUND"} xref: CAS:87-66-1 {source="ChemIDplus"} xref: HMDB:HMDB0013674 xref: KEGG:C01108 xref: KNApSAcK:C00002670 xref: MetaCyc:PYROGALLOL xref: PMID:10427737 {source="Europe PMC"} xref: PMID:18506365 {source="Europe PMC"} xref: PMID:18760383 {source="Europe PMC"} xref: PMID:19948158 {source="Europe PMC"} xref: PMID:24415452 {source="Europe PMC"} xref: PMID:24458986 {source="Europe PMC"} xref: Reaxys:907431 {source="Reaxys"} xref: UM-BBD_compID:c0025 {source="UM-BBD"} xref: Wikipedia:Pyrogallol is_a: CHEBI:22707 ! benzenetriol 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/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WQGWDDDVZFFDIG-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 "Oc1cccc(O)c1O" 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:71222 ! phlorotannin 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:16226 name: limonin namespace: chebi_ontology alt_id: CHEBI:14509 alt_id: CHEBI:14511 alt_id: CHEBI:25042 alt_id: CHEBI:6467 subset: 3_STAR synonym: "(4aS,6aR,8aR,8bR,9aS,12R,12aS,14aR,14bR)-12-(3-furyl)-6,6,8a,12a-tetramethyldecahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromene-3,8,10(6H,9aH)-trione" EXACT IUPAC_NAME [IUPAC] synonym: "7,16-Dioxo-7,16-dideoxylimondiol" RELATED [ChemIDplus] synonym: "Citrolimonin" RELATED [ChemIDplus] synonym: "Dictamnolactone" RELATED [ChemIDplus] synonym: "Evodia fruit" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Evodin" RELATED [KEGG_COMPOUND] synonym: "Limonin" EXACT [KEGG_COMPOUND] synonym: "limonin" EXACT [UniProt] synonym: "Limonoate D-ring-lactone" RELATED [KEGG_COMPOUND] synonym: "limonoic acid 3,19:16,17-dilactone" RELATED [ChEBI] synonym: "Limonoic acid, di-delta-lactone" RELATED [ChemIDplus] synonym: "Obaculactone" RELATED [ChemIDplus] xref: AGR:IND44319571 {source="Europe PMC"} xref: CAS:1180-71-8 {source="KEGG COMPOUND"} xref: CAS:1180-71-8 {source="ChemIDplus"} xref: KEGG:C03514 xref: KEGG:C16717 xref: KEGG:D00173 xref: KNApSAcK:C00003719 xref: PMID:19782062 {source="Europe PMC"} xref: PMID:21338095 {source="Europe PMC"} xref: PMID:22907263 {source="Europe PMC"} xref: PMID:22999474 {source="Europe PMC"} xref: Wikipedia:Limonin is_a: CHEBI:26873 ! terpenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C26H30O8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KBDSLGBFQAGHBE-MSGMIQHVSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "470.51160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "470.19407" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@]12CC(=O)OC[C@]11[C@@]3([H])CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]45[C@]3(C)C(=O)C[C@@]1([H])C(C)(C)O2)c1ccoc1" 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:28802 ! flavonols 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: DrugBank:DB14155 xref: FooDB:FDB015634 xref: HMDB:HMDB0003404 xref: KEGG:C00734 xref: KEGG:G10536 xref: MetaCyc:Chitosan xref: Pesticides:chitosan {source="Alan Wood's Pesticides"} xref: PMID:33208634 {source="Europe PMC"} xref: PMID:34885715 {source="Europe PMC"} xref: PMID:36076877 {source="Europe PMC"} xref: PMID:36191784 {source="Europe PMC"} xref: PMID:36315326 {source="Europe PMC"} xref: PMID:36362923 {source="Europe PMC"} xref: PMID:36431043 {source="Europe PMC"} xref: PMID:36437390 {source="Europe PMC"} xref: PMID:36449553 {source="Europe PMC"} xref: PMID:36501559 {source="Europe PMC"} xref: PMID:36547302 {source="Europe PMC"} xref: PMID:36547931 {source="Europe PMC"} xref: Wikipedia:Chitosan 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 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:16388 name: 4-hydroxymandelic acid namespace: chebi_ontology alt_id: CHEBI:1869 alt_id: CHEBI:20410 def: "A 2-hydroxy carboxylic acid that is mandelic acid bearing a phenolic hydroxy substituent at position 4." [] subset: 3_STAR synonym: "4-Hydroxymandelic acid" EXACT [KEGG_COMPOUND] synonym: "4-hydroxymandelic acid" EXACT [ChEBI] synonym: "4-hydroxymandelic acid" EXACT [ChemIDplus] synonym: "4-hydroxyphenylglycolic acid" RELATED [ChemIDplus] synonym: "hydroxy(4-hydroxyphenyl)acetic acid" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:2365374 {source="Beilstein"} xref: CAS:1198-84-1 {source="ChemIDplus"} xref: Gmelin:486823 {source="Gmelin"} xref: HMDB:HMDB0000822 xref: KEGG:C11527 xref: PMID:22770225 {source="Europe PMC"} xref: Reaxys:2365374 {source="Reaxys"} is_a: CHEBI:33853 ! phenols 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/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YHXHKYRQLYQUIH-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 "OC(C(O)=O)c1ccc(O)cc1" xsd:string [Term] id: CHEBI:16433 name: trans-caffeic acid namespace: chebi_ontology alt_id: CHEBI:11691 alt_id: CHEBI:11692 alt_id: CHEBI:12870 alt_id: CHEBI:1379 alt_id: CHEBI:19877 alt_id: CHEBI:41964 def: "The trans-isomer of caffeic acid." [] subset: 3_STAR synonym: "(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "3,4-Dihydroxy-trans-cinnamate" RELATED [KEGG_COMPOUND] synonym: "3,4-dihydroxy-trans-cinnamate" RELATED [ChEBI] synonym: "3,4-Dihydroxycinnamic acid" RELATED [KEGG_COMPOUND] synonym: "CAFFEIC ACID" RELATED [PDBeChem] synonym: "Caffeic acid" RELATED [KEGG_COMPOUND] synonym: "trans-Caffeate" RELATED [KEGG_COMPOUND] synonym: "trans-caffeate" RELATED [ChEBI] xref: Beilstein:1954563 {source="Beilstein"} xref: CAS:331-39-5 {source="KEGG COMPOUND"} xref: CAS:501-16-6 {source="ChemIDplus"} xref: CAS:501-16-6 {source="KEGG COMPOUND"} xref: HMDB:HMDB0001964 xref: KEGG:C01197 xref: KEGG:C01481 xref: KNApSAcK:C00000615 xref: PDBeChem:DHC xref: PMID:21503726 {source="Europe PMC"} xref: Reaxys:1954563 {source="Reaxys"} xref: Wikipedia:Caffeic_acid is_a: CHEBI:36281 ! caffeic 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)/b4-2+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QAIPRVGONGVQAS-DUXPYHPUSA-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=C\\c1ccc(O)c(O)c1" 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:165 name: (1S,4R)-fenchone is_a: CHEBI:26873 ! terpenoid [Term] id: CHEBI:16514 name: 4',5,7-trihydroxy-3'-methoxyflavone namespace: chebi_ontology alt_id: CHEBI:12083 alt_id: CHEBI:2006 alt_id: CHEBI:20519 def: "The 3'-O-methyl derivative of luteolin." [] subset: 3_STAR synonym: "3'-Methoxyapigenin" RELATED [ChemIDplus] synonym: "3'-O-Methylluteolin" RELATED [KEGG_COMPOUND] synonym: "5,7,4'-Trihydroxy-3'-methoxyflavone" RELATED [KEGG_COMPOUND] synonym: "5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-benzopyrone" RELATED [ChEBI] synonym: "5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one" RELATED [ChEBI] synonym: "5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "Chryseriol" RELATED [ChemIDplus] synonym: "Chrysoeriol" RELATED [KEGG_COMPOUND] synonym: "Luteolin 3'-methyl ether" RELATED [ChemIDplus] xref: Beilstein:295004 {source="Beilstein"} xref: CAS:491-71-4 {source="KEGG COMPOUND"} xref: CAS:491-71-4 {source="ChemIDplus"} xref: KEGG:C04293 xref: KNApSAcK:C00001029 xref: LIPID_MAPS_instance:LMPK12110799 {source="LIPID MAPS"} xref: MetaCyc:574-TRIHYDROXY-3-METHOXYFLAVONE xref: PMID:22438130 {source="Europe PMC"} xref: PMID:22577954 {source="Europe PMC"} xref: PMID:23017389 {source="Europe PMC"} xref: PMID:23052184 {source="Europe PMC"} xref: PMID:23122135 {source="Europe PMC"} xref: Reaxys:295004 {source="Reaxys"} is_a: CHEBI:24698 ! hydroxyflavone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H12O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SCZVLDHREVKTSH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "300.26290" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "300.06339" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cc(ccc1O)-c1cc(=O)c2c(O)cc(O)cc2o1" xsd:string [Term] id: CHEBI:165217 is_a: CHEBI:24676 ! hydroxybenzoic acid [Term] id: CHEBI:16547 name: coniferyl aldehyde namespace: chebi_ontology alt_id: CHEBI:14018 alt_id: CHEBI:23372 alt_id: CHEBI:3859 def: "A member of the class of cinnamaldehydes that is cinnamaldehyde substituted by a hydroxy group at position 4 and a methoxy group at position 3." [] subset: 3_STAR synonym: "(E)-coniferaldehyde" RELATED [UniProt] synonym: "3-(4-hydroxy-3-methoxyphenyl)prop-2-enal" EXACT IUPAC_NAME [IUPAC] synonym: "4-Hydroxy-3-methoxycinnamaldehyde" RELATED [KEGG_COMPOUND] synonym: "4-hydroxy-3-methoxycinnamaldehyde" RELATED [ChEBI] synonym: "Coniferaldehyde" RELATED [KEGG_COMPOUND] synonym: "Coniferyl aldehyde" EXACT [KEGG_COMPOUND] synonym: "Ferulaldehyde" RELATED [KEGG_COMPOUND] xref: CAS:458-36-6 {source="ChemIDplus"} xref: CAS:458-36-6 {source="KEGG COMPOUND"} xref: KEGG:C02666 xref: KNApSAcK:C00002728 xref: MetaCyc:CONIFERYL-ALDEHYDE xref: PMID:22034160 {source="Europe PMC"} xref: PMID:22466741 {source="Europe PMC"} xref: PMID:23302528 {source="Europe PMC"} xref: PMID:23725839 {source="Europe PMC"} xref: PMID:24010325 {source="Europe PMC"} xref: Reaxys:2048208 {source="Reaxys"} xref: Wikipedia:Coniferyl_aldehyde is_a: CHEBI:26004 ! phenylpropanoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H10O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DKZBBWMURDFHNE-NSCUHMNNSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "178.18460" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "178.06299" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cc(\\C=C\\C=O)ccc1O" 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 ! phytosterols 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 ! omega-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:28794 ! coumarin [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:167695 name: Punicalagin namespace: chebi_ontology subset: 2_STAR synonym: "6,7,8,11,12,23,24,27,28,29,37,43,44,45,48,49,50-heptadecahydroxy-2,14,21,33,36,39,54-heptaoxaundecacyclo[33.20.0.04,9.010,19.013,18.016,25.017,22.026,31.038,55.041,46.047,52]pentapentaconta-4,6,8,10,12,16,18,22,24,26,28,30,41,43,45,47,49,51-octadecaene-3,15,20,32,40,53-hexone" EXACT IUPAC_NAME [SUBMITTER] xref: Chemspider:29272136 is_a: CHEBI:23909 ! ellagitannin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C48H28O30" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C48H28O30/c49-10-1-6-17(31(59)27(10)55)19-23-21-22-24(47(70)76-38(21)35(63)33(19)61)20(34(62)36(64)39(22)75-46(23)69)18-9(4-13(52)28(56)32(18)60)43(66)74-37-14(5-72-42(6)65)73-48(71)41-40(37)77-44(67)7-2-11(50)25(53)29(57)15(7)16-8(45(68)78-41)3-12(51)26(54)30(16)58/h1-4,14,37,40-41,48-64,71H,5H2/t14-,37-,40+,41-,48?/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZJVUMAFASBFUBG-UYMKNUMKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "1084.722" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "1084.06654" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C1O[C@H]2[C@@H]3OC(=O)C4=C(C(O)=C(O)C(=C4)O)C=5C(O)=C(O)C(=CC5C(O[C@H]3C(O)O[C@@H]2COC(=O)C6=C(C(O)=C(O)C(=C6)O)C7=C8C=9C%10=C(C(C%11=C1C=C(O)C(=C%11O)O)=C(O)C(O)=C%10OC8=O)C(=O)OC9C(O)=C7O)=O)O" xsd:string [Term] id: CHEBI:167696 name: Punicalin namespace: chebi_ontology subset: 2_STAR synonym: "3,4,5,11,12,13,21,22,23,26,27,38,39-tridecahydroxy-9,14,17,29,36-pentaoxaoctacyclo[29.8.0.02,7.010,15.019,24.025,34.028,33.032,37]nonatriaconta-1(39),2,4,6,19,21,23,25,27,31,33,37-dodecaene-8,18,30,35-tetrone" EXACT IUPAC_NAME [SUBMITTER] xref: Chemspider:4534655 is_a: CHEBI:23909 ! ellagitannin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C34H22O22" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C34H22O22/c35-6-1-4-9(19(39)17(6)37)11-15-13-14-16(33(50)56-28(13)23(43)21(11)41)12(22(42)24(44)29(14)55-32(15)49)10-5(2-7(36)18(38)20(10)40)31(48)54-27-8(3-52-30(4)47)53-34(51)26(46)25(27)45/h1-2,8,25-27,34-46,51H,3H2/t8-,25-,26-,27-,34?/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IQHIEHIKNWLKFB-OBOTWMKHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "782.528" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "782.06027" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O=C1O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2COC(=O)C3=C(C(O)=C(O)C(=C3)O)C4=C5C=6C7=C(C(C8=C1C=C(O)C(=C8O)O)=C(O)C(O)=C7OC5=O)C(=O)OC6C(O)=C4O" xsd:string [Term] id: CHEBI:16778 name: apigenin 7-O-beta-D-glucoside namespace: chebi_ontology alt_id: CHEBI:12252 alt_id: CHEBI:20780 alt_id: CHEBI:2282 def: "A glycosyloxyflavone that is apigenin substituted by a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage." [] subset: 3_STAR synonym: "5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside" RELATED [ChEBI] synonym: "7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one" RELATED [KEGG_COMPOUND] synonym: "7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone" RELATED [KEGG_COMPOUND] synonym: "apigenin 7-O-beta-D-glucoside" EXACT [ChemIDplus] synonym: "Apigenin 7-O-glucoside" RELATED [KEGG_COMPOUND] synonym: "Apigetrin" RELATED [KEGG_COMPOUND] synonym: "Cosmetin" RELATED [KEGG_COMPOUND] synonym: "Cosmosiin" RELATED [KEGG_COMPOUND] synonym: "Cosmosioside" RELATED [ChemIDplus] xref: CAS:578-74-5 {source="KEGG COMPOUND"} xref: CAS:578-74-5 {source="ChemIDplus"} xref: HMDB:HMDB0037340 xref: KEGG:C04608 xref: KNApSAcK:C00001017 xref: LINCS:LSM-2286 xref: MetaCyc:APIGENIN-7-O-BETA-D-GLUCOSIDE xref: PMID:17186490 {source="Europe PMC"} xref: PMID:19112896 {source="Europe PMC"} xref: PMID:21656359 {source="Europe PMC"} xref: PMID:21756194 {source="Europe PMC"} xref: Reaxys:65669 {source="Reaxys"} xref: Wikipedia:Apigetrin is_a: CHEBI:24698 ! hydroxyflavone 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/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KMOUJOKENFFTPU-QNDFHXLGSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "432.378" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "432.10565" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C1=2C(C(C=C(O1)C=3C=CC(O)=CC3)=O)=C(C=C(C2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O" xsd:string [Term] id: CHEBI:16786 name: vestitone namespace: chebi_ontology alt_id: CHEBI:15307 alt_id: CHEBI:27284 alt_id: CHEBI:9972 def: "A hydroxyisoflavanone that is isoflavanone substituted by hydroxy groups at positions 7 and 2' and a methoxy group at position 4'." [] subset: 3_STAR synonym: "(3R)-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "(3R)-vestitol" RELATED [ChEBI] synonym: "(3R)-vestitone" RELATED [UniProt] synonym: "2,3-Dihydro-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one" RELATED [ChemIDplus] synonym: "7,2'-Dihydroxy-4'-methoxyisoflavanone" RELATED [ChEBI] synonym: "Vestitone" EXACT [KEGG_COMPOUND] xref: CAS:158112-50-6 {source="KEGG COMPOUND"} xref: CAS:66211-83-4 {source="ChemIDplus"} xref: CAS:66211-83-4 {source="KEGG COMPOUND"} xref: HMDB:HMDB0031620 xref: KEGG:C00786 xref: KNApSAcK:C00002584 xref: LIPID_MAPS_instance:LMPK12050462 {source="LIPID MAPS"} xref: MetaCyc:VESTITONE xref: PMID:20079815 {source="Europe PMC"} xref: PMID:22117168 {source="Europe PMC"} xref: Reaxys:19983204 {source="Reaxys"} is_a: CHEBI:33853 ! phenols 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/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-7,13,17-18H,8H2,1H3/t13-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WQCJOKYOIJVEFN-ZDUSSCGKSA-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([C@@H]2COc3cc(O)ccc3C2=O)c(O)c1" 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:16832 name: kievitone namespace: chebi_ontology alt_id: CHEBI:14493 alt_id: CHEBI:24984 alt_id: CHEBI:6135 def: "A hydroxyisoflavanone that is isoflavanone with hydroxy substituents at positions 5, 7, 2' and 4' and a prenyl group at position 8." [] subset: 3_STAR synonym: "3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "Kievitone" EXACT [KEGG_COMPOUND] synonym: "kievitone" EXACT [UniProt] xref: AGR:IND23253127 {source="Europe PMC"} xref: AGR:IND44293716 {source="Europe PMC"} xref: CAS:40105-60-0 {source="KEGG COMPOUND"} xref: HMDB:HMDB0034213 xref: KEGG:C01590 xref: KNApSAcK:C00002541 xref: LIPID_MAPS_instance:LMPK12050479 {source="LIPID MAPS"} xref: MetaCyc:KIEVITONE-CPD xref: PMID:16665944 {source="Europe PMC"} xref: PMID:21133423 {source="Europe PMC"} xref: PMID:7794275 {source="Europe PMC"} is_a: CHEBI:33853 ! phenols property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H20O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H20O6/c1-10(2)3-5-13-16(23)8-17(24)18-19(25)14(9-26-20(13)18)12-6-4-11(21)7-15(12)22/h3-4,6-8,14,21-24H,5,9H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MERHMOCEIBOOMA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "356.36920" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "356.12599" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)=CCc1c(O)cc(O)c2C(=O)C(COc12)c1ccc(O)cc1O" 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: "2-hydroxybenzoic acid" RELATED [] 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="KEGG COMPOUND"} xref: CAS:69-72-7 {source="ChemIDplus"} xref: CAS:69-72-7 {source="NIST Chemistry WebBook"} 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 ! phytosterols 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:18388 ! apigenin 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:16997 is_a: CHEBI:26191 ! polyol [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:17043 name: biphenyl-2-ol namespace: chebi_ontology alt_id: CHEBI:1146 alt_id: CHEBI:11591 alt_id: CHEBI:19629 def: "A member of the class of hydroxybiphenyls that is biphenyl substituted by a hydroxy group at position 2. It is generally used as a post-harvest fungicide for citrus fruits." [] subset: 3_STAR synonym: "2-Biphenylol" RELATED [KEGG_COMPOUND] synonym: "2-Hydroxybiphenyl" RELATED [KEGG_COMPOUND] synonym: "2-Phenylphenol" RELATED [KEGG_COMPOUND] synonym: "[1,1'-biphenyl]-2-ol" EXACT IUPAC_NAME [IUPAC] synonym: "biphenyl-2-ol" EXACT [UniProt] synonym: "o-diphenylol" RELATED [ChemIDplus] synonym: "o-hydroxybiphenyl" RELATED [ChemIDplus] synonym: "o-hydroxydiphenyl" RELATED [NIST_Chemistry_WebBook] synonym: "o-phenylphenol" RELATED [ChemIDplus] synonym: "Orthophenyl phenol" RELATED [KEGG_COMPOUND] xref: CAS:90-43-7 {source="KEGG COMPOUND"} xref: CAS:90-43-7 {source="NIST Chemistry WebBook"} xref: CAS:90-43-7 {source="ChemIDplus"} xref: Drug_Central:4768 {source="DrugCentral"} xref: HMDB:HMDB0032582 xref: KEGG:C02499 xref: KEGG:D08367 xref: PMID:14753781 {source="Europe PMC"} xref: PMID:23156781 {source="Europe PMC"} xref: PMID:23665931 {source="Europe PMC"} xref: PMID:24525378 {source="Europe PMC"} xref: PPDB:1340 xref: Reaxys:606907 {source="Reaxys"} xref: UM-BBD_compID:c0269 {source="UM-BBD"} xref: Wikipedia:Biphenyl-2-ol is_a: CHEBI:33853 ! phenols property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C12H10O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LLEMOWNGBBNAJR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "170.20720" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "170.07316" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1ccccc1-c1ccccc1" xsd:string [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: PMCID:PMC9193570 {source="Europe PMC"} 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:19804861 {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:35289142 {source="Europe PMC"} xref: PMID:35364613 {source="Europe PMC"} xref: PMID:35575772 {source="Europe PMC"} xref: PMID:36276829 {source="Europe PMC"} xref: PMID:36354105 {source="Europe PMC"} xref: PMID:36478868 {source="Europe PMC"} xref: PMID:36547619 {source="Europe PMC"} xref: PMID:36615861 {source="Europe PMC"} xref: PMID:36849732 {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:17189 is_a: CHEBI:24676 ! hydroxybenzoic acid [Term] id: CHEBI:17219 is_a: CHEBI:26873 ! terpenoid [Term] id: CHEBI:17226 name: rosmarinic acid namespace: chebi_ontology alt_id: CHEBI:15055 alt_id: CHEBI:26582 alt_id: CHEBI:8894 alt_id: CHEBI:8895 def: "The 1-carboxy-2-(2,4-dihydroxyphenyl)ethyl ester of trans-caffeic acid." [] subset: 3_STAR synonym: "3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "alpha-(((3,4-Dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,4-dihydroxy- benzenepropanoic acid" RELATED [ChemIDplus] synonym: "R-(+)-2-(3,4-Dihydroxycinnamoyloxy)-3-(3,4-dihydroxyphenyl)propionic acid" RELATED [ChemIDplus] xref: CAS:537-15-5 {source="ChemIDplus"} xref: PMID:12482446 {source="Europe PMC"} xref: PMID:20071057 {source="Europe PMC"} xref: PMID:21364781 {source="Europe PMC"} xref: PMID:21838541 {source="Europe PMC"} xref: PMID:22236574 {source="Europe PMC"} xref: PMID:22439433 {source="Europe PMC"} xref: PMID:23016274 {source="Europe PMC"} xref: PMID:23116643 {source="Europe PMC"} xref: PMID:23122135 {source="Europe PMC"} xref: PMID:23381830 {source="Europe PMC"} xref: PMID:23414442 {source="Europe PMC"} xref: PMID:23548128 {source="Europe PMC"} xref: PMID:24085626 {source="Europe PMC"} xref: PMID:24097334 {source="Europe PMC"} xref: PMID:24262570 {source="Europe PMC"} is_a: CHEBI:36281 ! caffeic acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C18H16O8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DOUMFZQKYFQNTF-ZZXKWVIFSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "360.31480" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "360.08452" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)\\C=C\\c1ccc(O)c(O)c1" 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:17254 name: 4-methylcatechol namespace: chebi_ontology alt_id: CHEBI:12025 alt_id: CHEBI:1897 alt_id: CHEBI:20442 alt_id: CHEBI:43962 def: "A methylcatechol having a single methyl substituent at the 4-position. It has been isolated from Picea abies." [] subset: 3_STAR synonym: "1,2-Dihydroxy-4-methylbenzene" RELATED [KEGG_COMPOUND] synonym: "1,2-dihydroxy-4-methylbenzene" RELATED [ChEBI] synonym: "2-Hydroxy-4-methylphenol" RELATED [NIST_Chemistry_WebBook] synonym: "3,4-Dihydroxytoluene" RELATED [KEGG_COMPOUND] synonym: "3,4-dihydroxytoluene" RELATED [ChEBI] synonym: "4-Methyl-1,2-benzenediol" RELATED [KEGG_COMPOUND] synonym: "4-methyl-1,2-benzenediol" RELATED [ChEBI] synonym: "4-Methyl-1,2-dihydroxybenzene" RELATED [ChemIDplus] synonym: "4-methylbenzene-1,2-diol" EXACT IUPAC_NAME [IUPAC] synonym: "4-Methylcatechol" EXACT [KEGG_COMPOUND] synonym: "4-methylcatechol" EXACT [UniProt] synonym: "4-Methylpyrocatechol" RELATED [ChemIDplus] synonym: "Homocatechol" RELATED [ChemIDplus] synonym: "Homopyrocatechol" RELATED [NIST_Chemistry_WebBook] synonym: "p-Methylcatechol" RELATED [ChemIDplus] synonym: "p-Methylpyrocatechol" RELATED [ChemIDplus] synonym: "Toluene-3,4-diol" RELATED [ChemIDplus] xref: CAS:452-86-8 {source="ChemIDplus"} xref: CAS:452-86-8 {source="NIST Chemistry WebBook"} xref: CAS:452-86-8 {source="KEGG COMPOUND"} xref: DrugBank:DB04120 xref: HMDB:HMDB0000873 xref: KEGG:C06730 xref: KNApSAcK:C00002660 xref: PDBeChem:MCT xref: PMID:18499097 {source="Europe PMC"} xref: Reaxys:636512 {source="Reaxys"} xref: UM-BBD_compID:c0126 {source="UM-BBD"} xref: Wikipedia:4-Methylcatechol is_a: CHEBI:18135 ! catechol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H8O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZBCATMYQYDCTIZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "124.13720" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "124.05243" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1ccc(O)c(O)c1" xsd:string [Term] id: CHEBI:17268 name: myo-inositol namespace: chebi_ontology alt_id: CHEBI:10601 alt_id: CHEBI:12826 alt_id: CHEBI:12831 alt_id: CHEBI:25451 alt_id: CHEBI:43559 def: "An inositol having myo- configuration." [] subset: 3_STAR synonym: "(1r,2R,3S,4s,5R,6S)-cyclohexane-1,2,3,4,5,6-hexol" RELATED [IUPAC] synonym: "1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE" RELATED [PDBeChem] synonym: "1,2,3,5/4,6-cyclohexanehexol" RELATED [IUPAC] synonym: "1D-myo-Inositol" RELATED [KEGG_COMPOUND] synonym: "1L-myo-Inositol" RELATED [KEGG_COMPOUND] synonym: "Bios I" RELATED [KEGG_COMPOUND] synonym: "cis-1,2,3,5-trans-4,6-cyclohexanehexol" RELATED [ChemIDplus] synonym: "Cyclohexitol" RELATED [KEGG_COMPOUND] synonym: "D-myo-Inositol" RELATED [KEGG_COMPOUND] synonym: "Dambose" RELATED [KEGG_COMPOUND] synonym: "i-inositol" RELATED [ChEBI] synonym: "inosite" RELATED [ChEBI] synonym: "Inositol" RELATED [KEGG_COMPOUND] synonym: "Ins" RELATED [ChEBI] synonym: "L-myo-Inositol" RELATED [KEGG_COMPOUND] synonym: "Meat sugar" RELATED [KEGG_COMPOUND] synonym: "meso-Inositol" RELATED [KEGG_COMPOUND] synonym: "myo-Inositol" EXACT [KEGG_COMPOUND] synonym: "myo-inositol" EXACT [UniProt] synonym: "myo-inositol" EXACT IUPAC_NAME [IUPAC] synonym: "Myoinositol" RELATED [HMDB] xref: Beilstein:1907329 {source="Beilstein"} xref: CAS:87-89-8 {source="NIST Chemistry WebBook"} xref: CAS:87-89-8 {source="KEGG COMPOUND"} xref: CAS:87-89-8 {source="ChemIDplus"} xref: Drug_Central:1444 {source="DrugCentral"} xref: DrugBank:DB03106 xref: Gmelin:82918 {source="Gmelin"} xref: HMDB:HMDB0000211 xref: KEGG:C00137 xref: KEGG:D08079 xref: KNApSAcK:C00001164 xref: MetaCyc:MYO-INOSITOL xref: PDBeChem:INS xref: PMID:11034685 {source="Europe PMC"} xref: PMID:11244303 {source="Europe PMC"} xref: PMID:11323092 {source="Europe PMC"} xref: PMID:11772411 {source="Europe PMC"} xref: PMID:12478879 {source="Europe PMC"} xref: PMID:12832083 {source="Europe PMC"} xref: PMID:14583919 {source="Europe PMC"} xref: PMID:14681857 {source="Europe PMC"} xref: PMID:15181167 {source="Europe PMC"} xref: PMID:15295080 {source="Europe PMC"} xref: PMID:15558078 {source="Europe PMC"} xref: PMID:16410747 {source="Europe PMC"} xref: PMID:1694860 {source="Europe PMC"} xref: PMID:17439666 {source="Europe PMC"} xref: PMID:17722064 {source="Europe PMC"} xref: PMID:18650262 {source="Europe PMC"} xref: PMID:18854045 {source="Europe PMC"} xref: PMID:19097871 {source="Europe PMC"} xref: PMID:19383710 {source="Europe PMC"} xref: PMID:22285975 {source="Europe PMC"} xref: PMID:22461977 {source="Europe PMC"} xref: PMID:22517104 {source="Europe PMC"} xref: PMID:838172 {source="Europe PMC"} xref: Reaxys:1907329 {source="Reaxys"} xref: Wikipedia:Inositol is_a: CHEBI:17401 ! myo-inositol hexakisphosphate 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/t1-,2-,3-,4+,5-,6-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CDAISMWEOUEBRE-GPIVLXJGSA-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 "O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O" 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:17327 name: phytol namespace: chebi_ontology alt_id: CHEBI:14836 alt_id: CHEBI:26121 alt_id: CHEBI:8193 def: "A diterpenoid that is hexadec-2-en-1-ol substituted by methyl groups at positions 3, 7, 11 and 15." [] subset: 3_STAR synonym: "(2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-ol" RELATED [ChEBI] synonym: "(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol" EXACT IUPAC_NAME [IUPAC] synonym: "Phytol" EXACT [KEGG_COMPOUND] synonym: "phytol" EXACT [UniProt] synonym: "trans-Phytol" RELATED [ChemIDplus] xref: CAS:150-86-7 {source="ChemIDplus"} xref: CAS:150-86-7 {source="KEGG COMPOUND"} xref: CAS:7541-49-3 {source="KEGG COMPOUND"} xref: HMDB:HMDB0002019 xref: KEGG:C01389 xref: KNApSAcK:C00003467 xref: LIPID_MAPS_instance:LMPR0104010002 {source="LIPID MAPS"} xref: MetaCyc:PHYTOL xref: PMID:17015885 {source="Europe PMC"} xref: PMID:24333358 {source="Europe PMC"} xref: PMID:24392173 {source="Europe PMC"} xref: PMID:24422895 {source="Europe PMC"} xref: Reaxys:7855349 {source="Reaxys"} is_a: CHEBI:26873 ! terpenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H40O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BOTWFXYSPFMFNR-PYDDKJGSSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "296.53100" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "296.30792" 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\\CO" 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 ! omega-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:17395 name: cis-caffeic acid namespace: chebi_ontology alt_id: CHEBI:13929 alt_id: CHEBI:19880 alt_id: CHEBI:19881 alt_id: CHEBI:22979 alt_id: CHEBI:3292 def: "The cis-isomer of caffeic acid." [] subset: 3_STAR synonym: "(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "3,4-Dihydroxycinnamic acid" RELATED [KEGG_COMPOUND] synonym: "Caffeate" RELATED [KEGG_COMPOUND] synonym: "Caffeic acid" RELATED [KEGG_COMPOUND] synonym: "cis-Caffeic acid" EXACT [KEGG_COMPOUND] xref: CAS:331-39-5 {source="KEGG COMPOUND"} xref: CAS:331-39-5 {source="ChemIDplus"} xref: DrugBank:DB01880 xref: HMDB:HMDB0001964 xref: KEGG:C01481 xref: MetaCyc:CPD-8098 xref: PMID:19812218 {source="Europe PMC"} xref: PMID:19952409 {source="Europe PMC"} xref: PMID:24088646 {source="Europe PMC"} xref: PMID:24138287 {source="Europe PMC"} xref: PMID:24206679 {source="Europe PMC"} xref: Reaxys:2210884 {source="Reaxys"} is_a: CHEBI:36281 ! caffeic 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)/b4-2-" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QAIPRVGONGVQAS-RQOWECAXSA-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=C/c1ccc(O)c(O)c1" 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:24848 ! inositol 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:17407 is_a: CHEBI:26873 ! terpenoid [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:17445 name: 3-hydroxyphenylacetic acid namespace: chebi_ontology alt_id: CHEBI:11833 alt_id: CHEBI:1550 alt_id: CHEBI:20076 alt_id: CHEBI:39897 def: "A monocarboxylic acid that is phenylacetic acid in which the hydrogen at position 3 on the benzene ring is replaced by a hydroxy group." [] subset: 3_STAR synonym: "(3-hydroxyphenyl)acetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(m-hydroxyphenyl)acetic acid" RELATED [ChemIDplus] synonym: "3-hydroxybenzeneacetic acid" RELATED [ChemIDplus] synonym: "3-Hydroxyphenylacetic acid" EXACT [KEGG_COMPOUND] synonym: "3-hydroxyphenylacetic acid" EXACT [UniProt] synonym: "m-hydroxyphenylacetic acid" RELATED [ChemIDplus] xref: Beilstein:2086506 {source="Beilstein"} xref: CAS:621-37-4 {source="ChemIDplus"} xref: CAS:621-37-4 {source="KEGG COMPOUND"} xref: HMDB:HMDB0000440 xref: KEGG:C05593 xref: MetaCyc:3-HYDROXYPHENYLACETATE xref: Patent:US5639643 xref: PDBeChem:3HP xref: PMID:19083460 {source="Europe PMC"} xref: PMID:20579527 {source="Europe PMC"} xref: PMID:22919580 {source="Europe PMC"} xref: PMID:23319439 {source="Europe PMC"} xref: PMID:24287915 {source="Europe PMC"} xref: PMID:5350345 {source="Europe PMC"} xref: PMID:7264927 {source="Europe PMC"} xref: Reaxys:2086506 {source="Reaxys"} is_a: CHEBI:33853 ! phenols property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H8O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FVMDYYGIDFPZAX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "152.14732" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "152.04734" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)Cc1cccc(O)c1" xsd:string [Term] id: CHEBI:17447 name: geraniol namespace: chebi_ontology alt_id: CHEBI:14297 alt_id: CHEBI:24219 alt_id: CHEBI:5329 def: "A monoterpenoid consisting of two prenyl units linked head-to-tail and functionalised with a hydroxy group at its tail end." [] subset: 3_STAR synonym: "(2E)-3,7-dimethyl-2,6-octadien-1-ol" RELATED [NIST_Chemistry_WebBook] synonym: "(2E)-3,7-dimethylocta-2,6-dien-1-ol" EXACT IUPAC_NAME [IUPAC] synonym: "(2E)-geraniol" RELATED [UniProt] synonym: "(E)-3,7-dimethyl-2,6-octadien-1-ol" RELATED [NIST_Chemistry_WebBook] synonym: "(E)-geraniol" RELATED [ChemIDplus] synonym: "(E)-nerol" RELATED [ChemIDplus] synonym: "2-trans-3,7-Dimethyl-2,6-octadien-1-ol" RELATED [ChemIDplus] synonym: "3,7-dimethyl-trans-2,6-octadien-1-ol" RELATED [ChemIDplus] synonym: "Geraniol" EXACT [KEGG_COMPOUND] synonym: "geranyl alcohol" RELATED [ChemIDplus] synonym: "lemonol" RELATED [ChemIDplus] synonym: "t-geraniol" RELATED [NIST_Chemistry_WebBook] synonym: "trans-3,7-dimethyl-2,6-octadien-1-ol" RELATED [ChemIDplus] synonym: "trans-geraniol" RELATED [ChemIDplus] xref: Beilstein:1722456 {source="ChemIDplus"} xref: BPDB:2374 xref: CAS:106-24-1 {source="NIST Chemistry WebBook"} xref: CAS:106-24-1 {source="KEGG COMPOUND"} xref: CAS:106-24-1 {source="ChemIDplus"} xref: Gmelin:185248 {source="Gmelin"} xref: KEGG:C01500 xref: KNApSAcK:C00000845 xref: LIPID_MAPS_instance:LMPR0102010016 {source="LIPID MAPS"} xref: PMID:18824010 {source="Europe PMC"} xref: PMID:20573166 {source="Europe PMC"} xref: PMID:23102596 {source="Europe PMC"} xref: PMID:23108028 {source="Europe PMC"} xref: PMID:23168261 {source="Europe PMC"} xref: PMID:23200656 {source="Europe PMC"} xref: PMID:23399806 {source="Europe PMC"} xref: PMID:23415329 {source="Europe PMC"} xref: PMID:23499697 {source="Europe PMC"} xref: PMID:23510343 {source="Europe PMC"} xref: VSDB:2374 xref: Wikipedia:Geraniol is_a: CHEBI:26873 ! terpenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H18O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GLZPCOQZEFWAFX-JXMROGBWSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "154.24932" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "154.13577" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)=CCC\\C(C)=C\\CO" 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:28794 ! coumarin 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:174910 name: 4'-O-methyl-(-)-epicatechin namespace: chebi_ontology def: "A catechin that is (-)-epicatechin in which the hydroxy group at position 4' is replaced by a methoxy group. It is a metabolite of (-)-epicatechin." [] subset: 3_STAR synonym: "(2R,3R)-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol" RELATED [IUPAC] synonym: "(2R,3R)-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol" EXACT IUPAC_NAME [IUPAC] synonym: "(2R,3R)-3,4-dihydro-2-(3-hydroxy-4-methoxyphenyl)-2H-1-benzopyran-3,5,7-triol" RELATED [ChEBI] synonym: "(2R-cis)-3,4-dihydro-2-(3-hydroxy-4-methoxyphenyl)-2H-1-benzopyran-3,5,7-triol" RELATED [ChEBI] synonym: "4'-methylepicatechin" RELATED [ChemIDplus] synonym: "4'-O-methyl-epicatechin" RELATED [ChemIDplus] synonym: "4'-O-methylepicatechin" RELATED [ChEBI] xref: CAS:97914-20-0 {source="ChemIDplus"} xref: Chemspider:30776736 xref: HMDB:HMDB0029179 xref: PMID:12654472 {source="Europe PMC"} xref: PMID:17996190 {source="Europe PMC"} xref: PMID:18231630 {source="Europe PMC"} xref: PMID:22397837 {source="Europe PMC"} xref: PMID:24573487 {source="Europe PMC"} xref: PMID:26264887 {source="Europe PMC"} xref: PMID:9929521 {source="Europe PMC"} is_a: CHEBI:26195 ! polyphenol 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/c1-21-14-3-2-8(4-12(14)19)16-13(20)7-10-11(18)5-9(17)6-15(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 "ZHDMPVIDHWJGTN-CZUORRHYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "304.298" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "304.09469" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]1(OC2=CC(O)=CC(O)=C2C[C@H]1O)C1=CC(O)=C(OC)C=C1" 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:175304 name: Dodecyl gallate namespace: chebi_ontology subset: 2_STAR synonym: "dodecyl 3,4,5-trihydroxybenzoate" EXACT IUPAC_NAME [SUBMITTER] xref: CAS:1166-52-5 {source="ChemIDplus"} xref: Chemspider:13777 xref: HMDB:HMDB0038720 is_a: CHEBI:22707 ! benzenetriol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C19H30O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C19H30O5/c1-2-3-4-5-6-7-8-9-10-11-12-24-19(23)15-13-16(20)18(22)17(21)14-15/h13-14,20-22H,2-12H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RPWFJAMTCNSJKK-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "338.444" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "338.20932" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O(CCCCCCCCCCCC)C(=O)C1=CC(O)=C(O)C(O)=C1" 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:17556 name: phaseollidin namespace: chebi_ontology alt_id: CHEBI:14774 alt_id: CHEBI:25948 alt_id: CHEBI:8044 def: "A member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by hydroxy groups at positions 3 and 9 and a prenyl group at position 10." [] subset: 3_STAR synonym: "(-)-Phaseollidin" RELATED [KEGG_COMPOUND] synonym: "(6aR,11aR)-10-(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol" EXACT IUPAC_NAME [IUPAC] synonym: "Phaseollidin" EXACT [KEGG_COMPOUND] synonym: "phaseollidin" EXACT [UniProt] xref: Beilstein:4820124 {source="Beilstein"} xref: CAS:13401-40-6 {source="KEGG COMPOUND"} xref: CAS:37831-70-2 {source="ChemIDplus"} xref: CAS:37831-70-2 {source="KEGG COMPOUND"} xref: HMDB:HMDB0033669 xref: KEGG:C05230 xref: KEGG:C10514 xref: KNApSAcK:C00002558 xref: KNApSAcK:C00002559 xref: LIPID_MAPS_instance:LMPK12070011 {source="LIPID MAPS"} xref: PMID:8277323 {source="Europe PMC"} xref: Reaxys:4820124 {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 "C20H20O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H20O4/c1-11(2)3-5-14-17(22)8-7-13-16-10-23-18-9-12(21)4-6-15(18)20(16)24-19(13)14/h3-4,6-9,16,20-22H,5,10H2,1-2H3/t16-,20-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OFWYIUYVHYPQNX-JXFKEZNVSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "324.37040" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "324.13616" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12COc3cc(O)ccc3[C@]1([H])Oc1c(CC=C(C)C)c(O)ccc21" xsd:string [Term] id: CHEBI:17558 name: quercitrin namespace: chebi_ontology alt_id: CHEBI:132834 alt_id: CHEBI:14996 alt_id: CHEBI:26485 alt_id: CHEBI:8705 def: "A quercetin O-glycoside that is quercetin substituted by a alpha-L-rhamnosyl moiety at position 3 via a glycosidic linkage." [] subset: 3_STAR synonym: "2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside" RELATED [ChemIDplus] synonym: "3-((6-Deoxy-alpha-L-mannopyranosyl)-oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one" RELATED [ChemIDplus] synonym: "luteolin 6-deoxy-alpha-L-mannopyranoside" RELATED [ChEBI] synonym: "Quercetin 3-L-rhamnoside" RELATED [KEGG_COMPOUND] synonym: "Quercetin 3-O-alpha-L-rhamnopyranoside" RELATED [KEGG_COMPOUND] synonym: "quercetin 3-O-alpha-L-rhamnopyranoside" RELATED [ChEBI] synonym: "Quercetin 3-O-rhamnoside" RELATED [ChEBI] synonym: "quercetin-3-L-rhamnoside" RELATED [ChEBI] synonym: "Quercimelin" RELATED [HMDB] synonym: "Quercitrin" EXACT [KEGG_COMPOUND] synonym: "Quercitronic acid" RELATED [HMDB] synonym: "Quercitroside" RELATED [HMDB] xref: CAS:522-12-3 {source="KEGG COMPOUND"} xref: CAS:522-12-3 {source="ChemIDplus"} xref: HMDB:HMDB0033751 xref: KEGG:C01750 xref: KNApSAcK:C00005374 xref: LIPID_MAPS_instance:LMPK12112171 {source="LIPID MAPS"} xref: MetaCyc:QUERCITRIN xref: PMID:10963295 {source="Europe PMC"} xref: PMID:11714358 {source="Europe PMC"} xref: PMID:11816040 {source="Europe PMC"} xref: PMID:12008093 {source="Europe PMC"} xref: PMID:15388977 {source="Europe PMC"} xref: PMID:15725651 {source="Europe PMC"} xref: PMID:16806328 {source="Europe PMC"} xref: PMID:17366733 {source="Europe PMC"} xref: PMID:19928818 {source="Europe PMC"} xref: PMID:21834636 {source="Europe PMC"} xref: PMID:22327179 {source="Europe PMC"} xref: PMID:22379948 {source="Europe PMC"} xref: PMID:23138875 {source="Europe PMC"} xref: PMID:23291772 {source="Europe PMC"} xref: Reaxys:68135 {source="Reaxys"} xref: Wikipedia:Quercitrin is_a: CHEBI:24698 ! hydroxyflavone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H20O11" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OXGUCUVFOIWWQJ-HQBVPOQASA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "448.37690" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "448.10056" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O" xsd:string [Term] id: CHEBI:17574 name: biochanin A namespace: chebi_ontology alt_id: CHEBI:13903 alt_id: CHEBI:22876 alt_id: CHEBI:3105 def: "A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone which is substituted by an additional hydroxy group at position 5 and a methoxy group at position 4'. A phytoestrogen, it has putative benefits in dietary cancer prophylaxis." [] subset: 3_STAR synonym: "4'-methylgenistein" RELATED [ChemIDplus] synonym: "5,7-dihydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one" RELATED [ChemIDplus] synonym: "5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "5,7-dihydroxy-3-p-methoxyphenyl-4H-chromen-4-one" RELATED [ChemIDplus] synonym: "5,7-dihydroxy-4'-methoxyisoflavone" RELATED [ChemIDplus] synonym: "Biochanin A" EXACT [KEGG_COMPOUND] synonym: "olmelin" RELATED [ChEBI] synonym: "pratensol" RELATED [LIPID_MAPS] xref: Beilstein:278107 {source="Beilstein"} xref: CAS:491-80-5 {source="ChemIDplus"} xref: CAS:491-80-5 {source="KEGG COMPOUND"} xref: HMDB:HMDB0002338 xref: KEGG:C00814 xref: KNApSAcK:C00002510 xref: LIPID_MAPS_instance:LMPK12050229 {source="LIPID MAPS"} xref: MetaCyc:BIOCHANIN-A xref: PDBeChem:QSO xref: PMID:11348577 {source="Europe PMC"} xref: PMID:11931850 {source="Europe PMC"} xref: PMID:15277096 {source="Europe PMC"} xref: PMID:18060767 {source="Europe PMC"} xref: PMID:20590565 {source="Europe PMC"} xref: PMID:23406166 {source="Europe PMC"} xref: PMID:23649249 {source="Europe PMC"} xref: PMID:23948065 {source="Europe PMC"} xref: PMID:24129051 {source="Europe PMC"} xref: PMID:24201306 {source="Europe PMC"} xref: PMID:28166217 {source="Europe PMC"} xref: PMID:8947298 {source="Europe PMC"} xref: Reaxys:278107 {source="Reaxys"} xref: Wikipedia:Biochanin_A is_a: CHEBI:38756 ! methoxyisoflavone 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/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "WUADCCWRTIWANL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "284.26348" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "284.06847" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O" xsd:string [Term] id: CHEBI:17579 name: beta-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-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:23042 ! carotene 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:17594 name: hydroquinone namespace: chebi_ontology alt_id: CHEBI:14416 alt_id: CHEBI:24645 alt_id: CHEBI:5793 def: "A benzenediol comprising benzene core carrying two hydroxy substituents para to each other." [] subset: 3_STAR synonym: "1,4-Benzenediol" RELATED [KEGG_COMPOUND] synonym: "1,4-Dihydroxybenzene" RELATED [KEGG_COMPOUND] synonym: "4-Hydroxyphenol" RELATED [KEGG_COMPOUND] synonym: "Benzene-1,4-diol" RELATED [KEGG_COMPOUND] synonym: "benzene-1,4-diol" EXACT IUPAC_NAME [IUPAC] synonym: "Eldoquin" RELATED [ChemIDplus] synonym: "Hydroquinone" EXACT [KEGG_COMPOUND] synonym: "hydroquinone" EXACT [UniProt] synonym: "p-Benzenediol" RELATED [KEGG_COMPOUND] synonym: "p-Hydroquinone" RELATED [KEGG_COMPOUND] synonym: "p-hydroxyphenol" RELATED [NIST_Chemistry_WebBook] synonym: "Quinol" RELATED [KEGG_COMPOUND] xref: Beilstein:605970 {source="Beilstein"} xref: CAS:123-31-9 {source="ChemIDplus"} xref: CAS:123-31-9 {source="NIST Chemistry WebBook"} xref: CAS:123-31-9 {source="KEGG COMPOUND"} xref: Drug_Central:3282 {source="DrugCentral"} xref: Gmelin:2742 {source="Gmelin"} xref: HMDB:HMDB0002434 xref: KEGG:C00530 xref: KEGG:C15603 xref: KEGG:D00073 xref: KNApSAcK:C00002656 xref: MetaCyc:HYDROQUINONE xref: PMID:11170505 {source="Europe PMC"} xref: PMID:12213471 {source="Europe PMC"} xref: PMID:1395635 {source="Europe PMC"} xref: PMID:15618234 {source="Europe PMC"} xref: PMID:15894107 {source="Europe PMC"} xref: PMID:1899343 {source="Europe PMC"} xref: PMID:19148301 {source="Europe PMC"} xref: PMID:24407054 {source="Europe PMC"} xref: PMID:24858384 {source="Europe PMC"} xref: PMID:25586344 {source="Europe PMC"} xref: PPDB:1503 xref: Reaxys:605970 {source="Reaxys"} xref: UM-BBD_compID:c0091 {source="UM-BBD"} xref: Wikipedia:Hydroquinone is_a: CHEBI:33570 ! benzenediols 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/c7-5-1-2-6(8)4-3-5/h1-4,7-8H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QIGBRXMKCJKVMJ-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 "Oc1ccc(O)cc1" xsd:string [Term] id: CHEBI:17597 name: 4-hydroxybenzaldehyde namespace: chebi_ontology alt_id: CHEBI:12002 alt_id: CHEBI:1857 alt_id: CHEBI:20396 alt_id: CHEBI:43009 def: "A hydroxybenzaldehyde that is benzaldehyde substituted with a hydroxy group at position C-4." [] subset: 3_STAR synonym: "4-formylphenol" RELATED [ChemIDplus] synonym: "4-Hydroxybenzaldehyde" EXACT [KEGG_COMPOUND] synonym: "4-hydroxybenzaldehyde" EXACT [UniProt] synonym: "4-hydroxybenzaldehyde" EXACT IUPAC_NAME [IUPAC] synonym: "p-formylphenol" RELATED [NIST_Chemistry_WebBook] synonym: "P-HYDROXYBENZALDEHYDE" RELATED [PDBeChem] synonym: "p-Hydroxybenzaldehyde" RELATED [KEGG_COMPOUND] xref: Beilstein:471352 {source="Beilstein"} xref: CAS:123-08-0 {source="ChemIDplus"} xref: CAS:123-08-0 {source="NIST Chemistry WebBook"} xref: CAS:123-08-0 {source="KEGG COMPOUND"} xref: DrugBank:DB03560 xref: Gmelin:82654 {source="Gmelin"} xref: HMDB:HMDB0011718 xref: KEGG:C00633 xref: KNApSAcK:C00002657 xref: MetaCyc:4-HYDROXYBENZALDEHYDE xref: PDBeChem:HBA xref: PMID:21542597 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:3593236 {source="Europe PMC"} xref: Reaxys:471352 {source="Reaxys"} xref: UM-BBD_compID:c0285 {source="UM-BBD"} xref: Wikipedia:4-Hydroxybenzaldehyde is_a: CHEBI:24673 ! hydroxybenzaldehyde property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H6O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RGHHSNMVTDWUBI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "122.12134" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "122.03678" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=O)c1ccc(O)cc1" 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: "4-hydroxy-3-methoxycinnamic acid" RELATED [] 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:17678 name: 2'-hydroxyformononetin namespace: chebi_ontology alt_id: CHEBI:11401 alt_id: CHEBI:19268 alt_id: CHEBI:843 def: "A member of the class of 4'-methoxyisoflavones that is formononetin with a hydroxy group at the 2'position." [] subset: 3_STAR synonym: "2'-Hydroformononetin" RELATED [KEGG_COMPOUND] synonym: "2'-Hydroxyformononetin" EXACT [KEGG_COMPOUND] synonym: "7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "Xenognosin B" RELATED [LIPID_MAPS] xref: AGR:IND93034681 {source="Europe PMC"} xref: CAS:1890-99-9 {source="KEGG COMPOUND"} xref: HMDB:HMDB0031720 xref: KEGG:C02920 xref: KNApSAcK:C00000257 xref: LIPID_MAPS_instance:LMPK12050081 {source="LIPID MAPS"} xref: MetaCyc:2-HYDROXYFORMONONETIN xref: PMID:1912490 {source="Europe PMC"} xref: PMID:1915347 {source="Europe PMC"} xref: PMID:2306102 {source="Europe PMC"} xref: PMID:9525107 {source="Europe PMC"} xref: PMID:9790908 {source="Europe PMC"} xref: Reaxys:1292487 {source="Reaxys"} is_a: CHEBI:38756 ! methoxyisoflavone 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/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-8,17-18H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XKHHKXCBFHUOHM-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 "COc1ccc(c(O)c1)-c1coc2cc(O)ccc2c1=O" 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: CHEBI:15428 ! glycine 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:17793 name: calycosin namespace: chebi_ontology alt_id: CHEBI:13938 alt_id: CHEBI:22989 alt_id: CHEBI:3334 def: "A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone which is substituted by an additional hydroxy group at the 3' position and a methoxy group at the 4' position." [] subset: 3_STAR synonym: "3'-hydroxy-formononetin" RELATED [ChEBI] synonym: "7,3'-dihydroxy-4'-methoxyisoflavone" RELATED [ChEBI] synonym: "7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one" RELATED [ChEBI] synonym: "7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "7-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one" RELATED [ChemIDplus] synonym: "Calycosin" EXACT [KEGG_COMPOUND] xref: Beilstein:1292488 {source="Beilstein"} xref: CAS:20575-57-9 {source="ChemIDplus"} xref: CAS:20575-57-9 {source="KEGG COMPOUND"} xref: KEGG:C01562 xref: KNApSAcK:C00009389 xref: LIPID_MAPS_instance:LMPK12050056 {source="LIPID MAPS"} xref: Patent:CN102030735 xref: Patent:KR20080079237 xref: Patent:WO2009129260 xref: PMID:11025148 {source="Europe PMC"} xref: PMID:16286304 {source="Europe PMC"} xref: PMID:16441066 {source="Europe PMC"} xref: PMID:17253088 {source="Europe PMC"} xref: Reaxys:1292488 {source="Reaxys"} xref: Wikipedia:Calycosin is_a: CHEBI:38756 ! methoxyisoflavone 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/c1-20-14-5-2-9(6-13(14)18)12-8-21-15-7-10(17)3-4-11(15)16(12)19/h2-8,17-18H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZZAJQOPSWWVMBI-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 "COc1ccc(cc1O)-c1coc2cc(O)ccc2c1=O" 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:17846 name: (S)-naringenin namespace: chebi_ontology alt_id: CHEBI:14640 alt_id: CHEBI:25484 alt_id: CHEBI:25488 alt_id: CHEBI:44288 alt_id: CHEBI:7483 def: "The (S)-enantiomer of naringenin." [] subset: 3_STAR synonym: "(-)-(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one" RELATED [IUBMB] synonym: "(-)-(2S)-Naringenin" RELATED [KEGG_COMPOUND] synonym: "(-)-(2S)-naringenin" RELATED [IUBMB] synonym: "(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "(2S)-Naringenin" RELATED [KEGG_COMPOUND] synonym: "(2S)-naringenin" RELATED [UniProt] synonym: "(S)-2,3-dihydo-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one" RELATED [IUBMB] synonym: "4',5,7-Trihydroxyflavanone" RELATED [KEGG_COMPOUND] synonym: "4',5,7-trihydroxyflavanone" RELATED [ChEBI] synonym: "NARINGENIN" RELATED [PDBeChem] synonym: "Naringenin" RELATED [KEGG_COMPOUND] synonym: "naringetol" RELATED [HMDB] synonym: "pelargidanon" RELATED [HMDB] synonym: "salipurpol" RELATED [HMDB] xref: CAS:480-41-1 {source="KEGG COMPOUND"} xref: CAS:480-41-1 {source="ChemIDplus"} xref: DrugBank:DB03467 xref: HMDB:HMDB0002670 xref: KEGG:C00509 xref: KNApSAcK:C00000982 xref: LIPID_MAPS_instance:LMPK12140001 {source="LIPID MAPS"} xref: MetaCyc:NARINGENIN-CMPD xref: PDBeChem:NAR xref: PMID:11093936 {source="Europe PMC"} xref: PMID:17664077 {source="Europe PMC"} xref: Reaxys:90699 {source="Reaxys"} xref: Wikipedia:Naringenin is_a: CHEBI:24698 ! hydroxyflavone is_a: CHEBI:50202 ! naringenin 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/t13-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FTVWIRXFELQLPI-ZDUSSCGKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "272.25280" 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)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1" 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:17898 name: all-trans-retinal namespace: chebi_ontology alt_id: CHEBI:12776 alt_id: CHEBI:22348 alt_id: CHEBI:8814 def: "A retinal 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-tetraenal" EXACT IUPAC_NAME [IUPAC] synonym: "all-E-retinal" RELATED [ChemIDplus] synonym: "all-trans-retinal" EXACT [KEGG_COMPOUND] synonym: "all-trans-retinal" EXACT [UniProt] synonym: "all-trans-retinaldehyde" RELATED [NIST_Chemistry_WebBook] synonym: "all-trans-retinene" RELATED [KEGG_COMPOUND] synonym: "all-trans-vitamin A aldehyde" RELATED [KEGG_COMPOUND] synonym: "axerophthal" RELATED [MetaCyc] synonym: "E-retinal" RELATED [ChemIDplus] synonym: "retinal" RELATED [KEGG_COMPOUND] synonym: "retinaldehyde" RELATED [ChemIDplus] synonym: "retinene" RELATED [KEGG_COMPOUND] synonym: "retinene 1" RELATED [ChemIDplus] synonym: "retinyl aldehyde" RELATED [ChemIDplus] synonym: "trans-retinal" RELATED [ChemIDplus] synonym: "trans-vitamin A aldehyde" RELATED [HMDB] synonym: "vitamin A aldehyde" RELATED [KEGG_COMPOUND] synonym: "vitamin A1 aldehyde" RELATED [ChemIDplus] xref: CAS:116-31-4 {source="NIST Chemistry WebBook"} xref: CAS:116-31-4 {source="ChemIDplus"} xref: CAS:116-31-4 {source="KEGG COMPOUND"} xref: Chemspider:553582 xref: FooDB:FDB030668 xref: HMDB:HMDB0001358 xref: KEGG:C00376 xref: LIPID_MAPS_instance:LMPR01090002 {source="LIPID MAPS"} xref: MetaCyc:RETINAL xref: PDBeChem:RET xref: PMID:12168520 {source="Europe PMC"} xref: PMID:15500295 {source="Europe PMC"} xref: PMID:15686550 {source="Europe PMC"} xref: PMID:15724104 {source="Europe PMC"} xref: PMID:16004575 {source="Europe PMC"} xref: PMID:16054134 {source="Europe PMC"} xref: PMID:16128572 {source="Europe PMC"} xref: PMID:17326003 {source="Europe PMC"} xref: PMID:21447403 {source="Europe PMC"} xref: PMID:21995425 {source="Europe PMC"} xref: PMID:22162152 {source="Europe PMC"} xref: PMID:22198730 {source="Europe PMC"} xref: PMID:22220722 {source="Europe PMC"} xref: PMID:22417174 {source="Europe PMC"} xref: PMID:22428905 {source="Europe PMC"} xref: PMID:22431612 {source="Europe PMC"} xref: PMID:22515697 {source="Europe PMC"} xref: PMID:22529810 {source="Europe PMC"} xref: PMID:22559266 {source="Europe PMC"} xref: PMID:22621924 {source="Europe PMC"} xref: PMID:22841964 {source="Europe PMC"} xref: PMID:22879987 {source="Europe PMC"} xref: PMID:26568132 {source="Europe PMC"} xref: PMID:28780307 {source="Europe PMC"} xref: PMID:31931077 {source="Europe PMC"} xref: PMID:32212312 {source="Europe PMC"} xref: PMID:32371567 {source="Europe PMC"} xref: PMID:32492112 {source="Europe PMC"} xref: PMID:33034385 {source="Europe PMC"} xref: PMID:33334878 {source="Europe PMC"} xref: Reaxys:1914183 {source="Reaxys"} xref: Wikipedia:Retinal is_a: CHEBI:26873 ! terpenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C20H28O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "NCYCYZXNIZJOKI-OVSJKPMPSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "284.443" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "284.21402" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=O)\\C=C(/C)\\C=C\\C=C(/C)\\C=C\\C1=C(C)CCCC1(C)C" 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:17948 name: (+)-taxifolin namespace: chebi_ontology alt_id: CHEBI:15206 alt_id: CHEBI:23764 alt_id: CHEBI:42225 alt_id: CHEBI:9415 def: "A taxifolin that has (2R,3R)-configuration." [] subset: 3_STAR synonym: "(+)-Dihydroquercetin" RELATED [KEGG_COMPOUND] synonym: "(+)-Taxifolin" EXACT [KEGG_COMPOUND] synonym: "(2R,3R)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one" RELATED [ChemIDplus] synonym: "(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "(2R,3R)-dihydroquercetin" RELATED [ChemIDplus] synonym: "(2R,3R)-dihydroquercetin" RELATED [UniProt] synonym: "(2R-trans)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4-benzopyrone" RELATED [ChemIDplus] synonym: "Dihydroquercetin" RELATED [KEGG_COMPOUND] synonym: "Taxifolin" RELATED [KEGG_COMPOUND] synonym: "trans-Dihydroquercetin" RELATED [KEGG_COMPOUND] xref: Beilstein:93548 {source="Beilstein"} xref: CAS:480-18-2 {source="ChemIDplus"} xref: CAS:480-18-2 {source="KEGG COMPOUND"} xref: DrugBank:DB02224 xref: KEGG:C01617 xref: KNApSAcK:C00000677 xref: LINCS:LSM-5990 xref: PDBeChem:DQH xref: Wikipedia:Taxifolin is_a: CHEBI:24697 ! hydroxyflavanone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H12O7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H12O7/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/h1-5,14-19,21H/t14-,15+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CXQWRCVTCMQVQX-LSDHHAIUSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "304.25160" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "304.05830" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)c(O)c1" xsd:string [Term] id: CHEBI:17965 name: isoorientin namespace: chebi_ontology alt_id: CHEBI:14471 alt_id: CHEBI:24905 alt_id: CHEBI:6034 def: "A flavone C-glycoside consisting of luteolin having a beta-D-glucosyl residue at the 6-position." [] subset: 3_STAR synonym: "(1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-D-glucitol" EXACT IUPAC_NAME [IUPAC] synonym: "2-(3,4-dihydroxyphenyl)-6-beta-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one" RELATED [ChEBI] synonym: "Homoorientin" RELATED [ChemIDplus] synonym: "Isoorientin" EXACT [KEGG_COMPOUND] synonym: "Luteolin-6-C-beta-D-glucoside" RELATED [ChEBI] xref: CAS:4261-42-1 {source="ChemIDplus"} xref: CAS:4261-42-1 {source="KEGG COMPOUND"} xref: KEGG:C01821 xref: KNApSAcK:C00001055 xref: LIPID_MAPS_instance:LMPK12110469 {source="LIPID MAPS"} xref: PMID:21080643 {source="Europe PMC"} xref: PMID:22529049 {source="Europe PMC"} xref: PMID:22948221 {source="Europe PMC"} xref: PMID:22980875 {source="Europe PMC"} xref: PMID:23026832 {source="Europe PMC"} xref: PMID:23220614 {source="Europe PMC"} xref: Reaxys:68256 {source="Reaxys"} xref: Wikipedia:Isoorientin is_a: CHEBI:24698 ! hydroxyflavone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H20O11" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ODBRNZZJSYPIDI-VJXVFPJBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "448.37690" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "448.10056" 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)c(O)c1" 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:18026 is_a: CHEBI:24676 ! hydroxybenzoic acid [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:18088 name: formononetin namespace: chebi_ontology alt_id: CHEBI:14279 alt_id: CHEBI:18194 alt_id: CHEBI:24086 alt_id: CHEBI:5146 def: "A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by a methoxy group at position 4'." [] subset: 3_STAR synonym: "4'-O-methyldaidzein" RELATED [ChEBI] synonym: "7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone" RELATED [HMDB] synonym: "7-hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one" RELATED [ChEBI] synonym: "7-Hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one" RELATED [HMDB] synonym: "7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "7-Hydroxy-4'-methoxyisoflavone" RELATED [HMDB] synonym: "biochanin B" RELATED [ChEBI] synonym: "Formononetin" EXACT [KEGG_COMPOUND] synonym: "formononetol" RELATED [ChEBI] xref: Beilstein:1288158 {source="Beilstein"} xref: CAS:485-72-3 {source="KEGG COMPOUND"} xref: HMDB:HMDB0005808 xref: KEGG:C00858 xref: KNApSAcK:C00002525 xref: LINCS:LSM-19000 xref: LIPID_MAPS_instance:LMPK12050037 {source="LIPID MAPS"} xref: MetaCyc:FORMONONETIN xref: PMID:16108819 {source="Europe PMC"} xref: PMID:24023812 {source="Europe PMC"} xref: Reaxys:237979 {source="Reaxys"} xref: Wikipedia:Formononetin is_a: CHEBI:38757 ! isoflavones property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H12O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "HKQYGTCOTHHOMP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "268.26410" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "268.07356" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccc(cc1)-c1coc2cc(O)ccc2c1=O" xsd:string [Term] id: CHEBI:18101 name: 4-hydroxyphenylacetic acid namespace: chebi_ontology alt_id: CHEBI:12014 alt_id: CHEBI:1874 alt_id: CHEBI:20419 alt_id: CHEBI:40091 def: "A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group." [] subset: 3_STAR synonym: "(4-hydroxyphenyl)acetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(p-hydroxyphenyl)acetic acid" RELATED [ChemIDplus] synonym: "4-carboxymethylphenol" RELATED [ChemIDplus] synonym: "4-hydroxybenzeneacetic acid" RELATED [ChemIDplus] synonym: "4-Hydroxyphenylacetate" RELATED [KEGG_COMPOUND] synonym: "4-Hydroxyphenylacetic acid" EXACT [KEGG_COMPOUND] synonym: "p-hydroxyphenylacetic acid" RELATED [ChemIDplus] xref: CAS:156-38-7 {source="NIST Chemistry WebBook"} xref: CAS:156-38-7 {source="KEGG COMPOUND"} xref: CAS:156-38-7 {source="ChemIDplus"} xref: HMDB:HMDB0000020 xref: KEGG:C00642 xref: MetaCyc:4-HYDROXYPHENYLACETATE xref: PDBeChem:4HP xref: PMID:11339992 {source="Europe PMC"} xref: PMID:21476434 {source="Europe PMC"} xref: PMID:22296160 {source="Europe PMC"} xref: PMID:24636068 {source="Europe PMC"} xref: PMID:24831010 {source="Europe PMC"} xref: PMID:7126379 {source="Europe PMC"} xref: PMID:977696 {source="Europe PMC"} xref: Reaxys:1448766 {source="Reaxys"} xref: UM-BBD_compID:c0271 {source="UM-BBD"} xref: Wikipedia:4-hydroxyphenylacetic_acid is_a: CHEBI:33853 ! phenols property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H8O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XQXPVVBIMDBYFF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "152.14732" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "152.04734" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)Cc1ccc(O)cc1" xsd:string [Term] id: CHEBI:18125 name: trans-2-coumaric acid namespace: chebi_ontology alt_id: CHEBI:1047 alt_id: CHEBI:11541 alt_id: CHEBI:19516 alt_id: CHEBI:27048 alt_id: CHEBI:39811 def: "The trans-isomer of 2-coumaric acid." [] subset: 3_STAR synonym: "(2E)-3-(2-hydroxyphenyl)-2-propenoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID" RELATED [PDBeChem] synonym: "(2E)-3-(2-hydroxyphenyl)prop-2-enoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(E)-2-hydroxycinnamic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(E)-3-(2-hydroxy-phenyl)-acrylic acid" RELATED [ChEBI] synonym: "(E)-3-(2-hydroxyphenyl)-2-propenoic acid" RELATED [NIST_Chemistry_WebBook] synonym: "(E)-o-hydroxycinnamic acid" RELATED [ChemIDplus] synonym: "2-Coumarate" RELATED [KEGG_COMPOUND] synonym: "2-Coumaric acid" RELATED [KEGG_COMPOUND] synonym: "2-Hydroxycinnamate" RELATED [KEGG_COMPOUND] synonym: "o-Coumaric acid" RELATED [KEGG_COMPOUND] synonym: "o-hydroxy-trans-cinnamic acid" RELATED [NIST_Chemistry_WebBook] synonym: "trans-2-Hydroxycinnamate" RELATED [KEGG_COMPOUND] synonym: "trans-2-Hydroxycinnamic acid" RELATED [KEGG_COMPOUND] synonym: "trans-o-hydroxycinnamic acid" RELATED [ChemIDplus] xref: Beilstein:1100900 {source="ChemIDplus"} xref: CAS:583-17-5 {source="KEGG COMPOUND"} xref: CAS:614-60-8 {source="ChemIDplus"} xref: CAS:614-60-8 {source="NIST Chemistry WebBook"} xref: CAS:614-60-8 {source="KEGG COMPOUND"} xref: DrugBank:DB01650 xref: Gmelin:1319861 {source="Gmelin"} xref: HMDB:HMDB0002641 xref: KEGG:C01772 xref: PDBeChem:2HC xref: PMID:23293469 {source="Europe PMC"} xref: Reaxys:1100900 {source="Reaxys"} xref: Wikipedia:O-Coumaric_acid is_a: CHEBI:33853 ! phenols 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)/b6-5+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PMOWTIHVNWZYFI-AATRIKPKSA-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 "OC(=O)\\C=C\\c1ccccc1O" xsd:string [Term] id: CHEBI:18128 name: luteolin 7-O-beta-D-glucosiduronic acid namespace: chebi_ontology alt_id: CHEBI:14538 alt_id: CHEBI:14540 alt_id: CHEBI:25090 alt_id: CHEBI:6583 def: "A luteolin glucosiduronic acid consisting of luteolin having a beta-D-glucosiduronic acid residue attached at the 7-position." [] subset: 3_STAR synonym: "2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranosiduronic acid" EXACT IUPAC_NAME [IUPAC] synonym: "Cyanidenon-7-O-beta-D-glucuronic acid" RELATED [ChemIDplus] synonym: "Luteolin 7-glucuronide" RELATED [ChemIDplus] synonym: "Luteolin 7-O-beta-D-glucuronopyranoside" RELATED [ChemIDplus] synonym: "Luteolin 7-O-glucuronide" RELATED [KEGG_COMPOUND] xref: CAS:29741-10-4 {source="ChemIDplus"} xref: KEGG:C03515 xref: LIPID_MAPS_instance:LMPK12110644 {source="LIPID MAPS"} xref: MetaCyc:LUTEOLIN-7-O-BETA-D-GLUCURONIDE xref: PMID:12088434 {source="Europe PMC"} xref: PMID:1620743 {source="Europe PMC"} xref: PMID:7766058 {source="Europe PMC"} xref: Reaxys:5785426 {source="Reaxys"} is_a: CHEBI:24698 ! hydroxyflavone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H18O12" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VSUOKLTVXQRUSG-ZFORQUDYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "462.36042" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "462.07983" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[C@H]1[C@@H](O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O)Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1" 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:33570 ! benzenediols 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:18152 name: myricetin namespace: chebi_ontology alt_id: CHEBI:14636 alt_id: CHEBI:44341 alt_id: CHEBI:7053 def: "A hexahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 3', 4', 5, 5' and 7. It has been isolated from the leaves of Myrica rubra and other plants." [] subset: 3_STAR synonym: "3,3',4',5,5',7-Hexahydroxyflavone" RELATED [ChemIDplus] synonym: "3,5,7,3',4',5'-Hexahydroxyflavone" RELATED [KEGG_COMPOUND] synonym: "3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "Cannabiscetin" RELATED [ChemIDplus] synonym: "Myricetin" EXACT [KEGG_COMPOUND] synonym: "Myricetol" RELATED [ChemIDplus] xref: Beilstein:332331 {source="Beilstein"} xref: CAS:529-44-2 {source="KEGG COMPOUND"} xref: CAS:529-44-2 {source="ChemIDplus"} xref: DrugBank:DB02375 xref: HMDB:HMDB0002755 xref: KEGG:C10107 xref: KNApSAcK:C00001071 xref: LINCS:LSM-2957 xref: LIPID_MAPS_instance:LMPK12110001 {source="LIPID MAPS"} xref: MetaCyc:MYRICETIN xref: PDBeChem:MYC xref: PMID:19407970 {source="Europe PMC"} xref: PMID:19778600 {source="Europe PMC"} xref: PMID:22482362 {source="Europe PMC"} xref: PMID:23099505 {source="Europe PMC"} xref: PMID:23232835 {source="Europe PMC"} xref: PMID:23265454 {source="Europe PMC"} xref: PMID:23736695 {source="Europe PMC"} xref: Reaxys:332331 {source="Reaxys"} xref: Wikipedia:Myricetin 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 "C15H10O8" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H10O8/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/h1-4,16-20,22H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IKMDFBPHZNJCSN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "318.23510" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "318.03757" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O" 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, 2-hydroxycinnamic 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 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 [UniProt] synonym: "RRR-gamma-tocopherol" RELATED [ChEBI] synonym: "γ-tocopherol" RELATED [] 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:18211 name: citrulline namespace: chebi_ontology alt_id: CHEBI:14002 alt_id: CHEBI:3730 def: "The parent compound of the citrulline class consisting of ornithine having a carbamoyl group at the N(5)-position." [] subset: 3_STAR synonym: "2-amino-5-(carbamoylamino)pentanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2-Amino-5-uredovaleric acid" RELATED [KEGG_COMPOUND] synonym: "Cit" RELATED [IUPAC] synonym: "citrulina" RELATED [ChEBI] synonym: "Citrullin" RELATED [ChEBI] synonym: "Citrulline" EXACT [KEGG_COMPOUND] synonym: "citrulline" EXACT IUPAC_NAME [IUPAC] synonym: "DL-2-amino-5-ureidovaleric acid" RELATED [ChemIDplus] synonym: "dl-citrulline" RELATED [NIST_Chemistry_WebBook] synonym: "N(5)-(aminocarbonyl)-DL-ornithine" RELATED [NIST_Chemistry_WebBook] synonym: "N(5)-(aminocarbonyl)ornithine" RELATED [ChEBI] synonym: "N(5)-carbamoyl-DL-ornithine" RELATED [NIST_Chemistry_WebBook] synonym: "N(5)-carbamoylornithine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1725417 {source="Beilstein"} xref: Beilstein:2328251 {source="Beilstein"} xref: CAS:627-77-0 {source="ChemIDplus"} xref: CAS:627-77-0 {source="NIST Chemistry WebBook"} xref: PMID:11094453 {source="Europe PMC"} xref: PMID:11113071 {source="Europe PMC"} xref: PMID:11696417 {source="Europe PMC"} xref: PMID:1378088 {source="Europe PMC"} xref: PMID:16082501 {source="Europe PMC"} xref: PMID:16708633 {source="Europe PMC"} xref: PMID:17005970 {source="Europe PMC"} xref: PMID:17513438 {source="Europe PMC"} xref: PMID:17558653 {source="Europe PMC"} xref: PMID:17693747 {source="Europe PMC"} xref: PMID:18437289 {source="Europe PMC"} xref: PMID:18440672 {source="Europe PMC"} xref: PMID:18989563 {source="Europe PMC"} xref: PMID:19144577 {source="Europe PMC"} xref: PMID:21129371 {source="Europe PMC"} xref: PMID:21482070 {source="Europe PMC"} xref: Reaxys:1725417 {source="Reaxys"} xref: Wikipedia:Citrulline is_a: CHEBI:83820 ! non-proteinogenic amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H13N3O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "RHGKLRLOHDJJDR-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "175.18584" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "175.09569" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NC(CCCNC(N)=O)C(O)=O" 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:18224 name: isoeugenol namespace: chebi_ontology alt_id: CHEBI:14466 alt_id: CHEBI:6007 def: "A phenylpropanoid that is an isomer of eugenol in which the allyl substituent is replaced by a prop-1-enyl group." [] subset: 3_STAR synonym: "1-Hydroxy-2-methoxy-4-propen-1-ylbenzene" RELATED [ChemIDplus] synonym: "1-Hydroxy-2-methoxy-4-propenylbenzene" RELATED [NIST_Chemistry_WebBook] synonym: "2-methoxy-4-(prop-1-en-1-yl)phenol" EXACT IUPAC_NAME [IUPAC] synonym: "2-Methoxy-4-propenylphenol" RELATED [ChemIDplus] synonym: "3-Methoxy-4-hydroxypropenylbenzene" RELATED [NIST_Chemistry_WebBook] synonym: "4-Hydroxy-3-methoxypropenylbenzene" RELATED [NIST_Chemistry_WebBook] synonym: "4-Propenylguaiacol" RELATED [ChemIDplus] synonym: "Isoeugenol" EXACT [KEGG_COMPOUND] synonym: "isoeugenol" EXACT [UniProt] synonym: "Propenylguaiacol" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1909602 {source="Beilstein"} xref: CAS:97-54-1 {source="ChemIDplus"} xref: CAS:97-54-1 {source="NIST Chemistry WebBook"} xref: CAS:97-54-1 {source="KEGG COMPOUND"} xref: Gmelin:2235523 {source="Gmelin"} xref: KEGG:C10469 xref: PMID:11033063 {source="Europe PMC"} xref: PMID:17573874 {source="Europe PMC"} xref: PMID:17698059 {source="Europe PMC"} xref: PMID:18416757 {source="Europe PMC"} xref: PMID:21969073 {source="Europe PMC"} xref: PMID:21989800 {source="Europe PMC"} xref: PMID:22613214 {source="Europe PMC"} xref: PMID:22671430 {source="Europe PMC"} xref: PMID:22686307 {source="Europe PMC"} xref: PMID:22827268 {source="Europe PMC"} xref: PMID:23047101 {source="Europe PMC"} xref: PMID:23161090 {source="Europe PMC"} xref: PMID:23281757 {source="Europe PMC"} xref: PMID:23286982 {source="Europe PMC"} xref: PMID:23306890 {source="Europe PMC"} xref: PMID:23391906 {source="Europe PMC"} xref: PMID:23627552 {source="Europe PMC"} xref: PMID:29079364 {source="Europe PMC"} xref: PMID:9084914 {source="Europe PMC"} xref: Reaxys:1909602 {source="Reaxys"} xref: Wikipedia:Isoeugenol is_a: CHEBI:26004 ! phenylpropanoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H12O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BJIOGJUNALELMI-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "164.20110" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "164.08373" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cc(C=CC)ccc1O" 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:18243 name: dopamine namespace: chebi_ontology alt_id: CHEBI:11695 alt_id: CHEBI:11930 alt_id: CHEBI:14203 alt_id: CHEBI:1764 alt_id: CHEBI:23886 alt_id: CHEBI:43686 def: "Catechol in which the hydrogen at position 4 is substituted by a 2-aminoethyl group." [] subset: 3_STAR synonym: "2-(3,4-Dihydroxyphenyl)ethylamine" RELATED [KEGG_COMPOUND] synonym: "2-(3,4-dihydroxyphenyl)ethylamine" RELATED [ChEBI] synonym: "3,4-Dihydroxyphenethylamine" RELATED [KEGG_COMPOUND] synonym: "3-Hydroxytyramine" RELATED [ChemIDplus] synonym: "4-(2-Aminoethyl)-1,2-benzenediol" RELATED [KEGG_COMPOUND] synonym: "4-(2-aminoethyl)-1,2-benzenediol" RELATED [ChEBI] synonym: "4-(2-Aminoethyl)benzene-1,2-diol" RELATED [KEGG_COMPOUND] synonym: "4-(2-aminoethyl)benzene-1,2-diol" EXACT IUPAC_NAME [IUPAC] synonym: "4-(2-aminoethyl)catechol" RELATED [ChemIDplus] synonym: "4-(2-aminoethyl)pyrocatechol" RELATED [ChemIDplus] synonym: "Deoxyepinephrine" RELATED [DrugBank] synonym: "dopamina" RELATED INN [ChemIDplus] synonym: "Dopamine" EXACT [KEGG_COMPOUND] synonym: "dopamine" RELATED INN [ChEBI] synonym: "dopaminum" RELATED INN [ChemIDplus] synonym: "Hydroxytyramin" RELATED [DrugBank] xref: CAS:51-61-6 {source="ChemIDplus"} xref: Drug_Central:947 {source="DrugCentral"} xref: DrugBank:DB00988 xref: HMDB:HMDB0000073 xref: KEGG:C03758 xref: KEGG:D07870 xref: KNApSAcK:C00001408 xref: LINCS:LSM-4630 xref: MetaCyc:DOPAMINE xref: PMID:10629745 {source="Europe PMC"} xref: PMID:11149432 {source="Europe PMC"} xref: PMID:9422813 {source="Europe PMC"} xref: Reaxys:1072822 {source="Reaxys"} xref: Wikipedia:Dopamine is_a: CHEBI:33570 ! benzenediols property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H11NO2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VYFYYTLLBUKUHU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "153.17840" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "153.07898" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCc1ccc(O)c(O)c1" xsd:string [Term] id: CHEBI:18257 name: ornithine namespace: chebi_ontology alt_id: CHEBI:7784 def: "An alpha-amino acid that is pentanoic acid bearing two amino substituents at positions 2 and 5." [] subset: 3_STAR synonym: "2,5-Diaminopentanoic acid" RELATED [KEGG_COMPOUND] synonym: "2,5-diaminopentanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "2,5-Diaminovaleric acid" RELATED [KEGG_COMPOUND] synonym: "DL-Ornithine" RELATED [ChemIDplus] synonym: "Orn" RELATED [IUPAC] synonym: "Ornithine" EXACT [KEGG_COMPOUND] synonym: "ornithine" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1722296 {source="Beilstein"} xref: CAS:616-07-9 {source="ChemIDplus"} xref: Gmelin:847696 {source="Gmelin"} xref: KEGG:C01602 xref: KNApSAcK:C00001384 xref: PMID:15449570 {source="Europe PMC"} xref: PMID:17190852 {source="Europe PMC"} xref: PMID:22264337 {source="Europe PMC"} xref: Reaxys:1722296 {source="Reaxys"} is_a: CHEBI:83820 ! non-proteinogenic amino acid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C5H12N2O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "AHLPHDHHMVZTML-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "132.16106" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "132.08988" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "NCCCC(N)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 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 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" EXACT [] 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:15891 ! taurine 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:18388 ! apigenin 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:18346 name: vanillin namespace: chebi_ontology alt_id: CHEBI:15302 alt_id: CHEBI:1842 alt_id: CHEBI:20380 alt_id: CHEBI:48387 def: "A member of the class of benzaldehydes carrying methoxy and hydroxy substituents at positions 3 and 4 respectively." [] subset: 3_STAR synonym: "3-methoxy-4-hydroxybenzaldehyde" RELATED [UM-BBD] synonym: "4-formyl-2-methoxyphenol" RELATED [ChemIDplus] synonym: "4-Hydroxy-3-methoxy-benzaldehyde" RELATED [KEGG_COMPOUND] synonym: "4-Hydroxy-3-methoxybenzaldehyde" RELATED [KEGG_COMPOUND] synonym: "4-hydroxy-3-methoxybenzaldehyde" EXACT IUPAC_NAME [IUPAC] synonym: "4-hydroxy-3-methoxybenzaldehyde" RELATED [ChemIDplus] synonym: "4-hydroxy-m-anisaldehyde" RELATED [NIST_Chemistry_WebBook] synonym: "methylprotocatechuic aldehyde" RELATED [ChemIDplus] synonym: "p-hydroxy-m-methoxybenzaldehyde" RELATED [NIST_Chemistry_WebBook] synonym: "p-vanillin" RELATED [NIST_Chemistry_WebBook] synonym: "vaniline" RELATED [ChEBI] synonym: "Vanillaldehyde" RELATED [KEGG_COMPOUND] synonym: "vanillaldehyde" RELATED [ChemIDplus] synonym: "vanillic aldehyde" RELATED [ChemIDplus] synonym: "Vanillin" EXACT [KEGG_COMPOUND] synonym: "vanillin" EXACT [UniProt] xref: Beilstein:472792 {source="Beilstein"} xref: CAS:121-33-5 {source="ChemIDplus"} xref: CAS:121-33-5 {source="NIST Chemistry WebBook"} xref: FooDB:FDB000838 xref: Gmelin:3596 {source="Gmelin"} xref: HMDB:HMDB0012308 xref: KEGG:C00755 xref: KEGG:D00091 xref: KNApSAcK:C00002683 xref: KNApSAcK:C00029531 xref: MetaCyc:VANILLIN xref: PDBeChem:V55 xref: PMCID:PMC7790484 {source="Europe PMC"} xref: PMCID:PMC8235570 {source="Europe PMC"} xref: PMID:18479250 {source="Europe PMC"} xref: PMID:19238838 {source="Europe PMC"} xref: PMID:19812218 {source="Europe PMC"} xref: PMID:21417387 {source="Europe PMC"} xref: PMID:21542597 {source="Europe PMC"} xref: PMID:21846089 {source="Europe PMC"} xref: PMID:22308371 {source="Europe PMC"} xref: PMID:29950589 {source="Europe PMC"} xref: PMID:31661600 {source="Europe PMC"} xref: PMID:33477040 {source="Europe PMC"} xref: PMID:33938405 {source="Europe PMC"} xref: PMID:34013088 {source="Europe PMC"} xref: PMID:34035660 {source="Europe PMC"} xref: UM-BBD_compID:c0193 {source="UM-BBD"} xref: Wikipedia:Vanillin is_a: CHEBI:33853 ! phenols property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H8O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "MWOOGOJBHIARFG-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "152.149" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "152.04734" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=O)C1=CC(OC)=C(O)C=C1" xsd:string [Term] id: CHEBI:18353 name: vanillyl alcohol namespace: chebi_ontology alt_id: CHEBI:15303 alt_id: CHEBI:1843 alt_id: CHEBI:27279 def: "A monomethoxybenzene that is 2-methoxyphenol substituted by a hydroxymethyl group at position 4." [] subset: 3_STAR synonym: "4-(hydroxymethyl)-2-methoxyphenol" EXACT IUPAC_NAME [IUPAC] synonym: "4-Hydroxy-3-methoxy-benzenemethanol" RELATED [KEGG_COMPOUND] synonym: "4-hydroxy-3-methoxy-benzenemethanol" RELATED [UniProt] synonym: "4-hydroxy-3-methoxy-benzenemethanol" RELATED [ChEBI] synonym: "4-Hydroxy-3-methoxybenzenemethanol" RELATED [KEGG_COMPOUND] synonym: "4-hydroxy-3-methoxybenzenemethanol" RELATED [ChEBI] synonym: "4-Hydroxy-3-methoxybenzyl alcohol" RELATED [KEGG_COMPOUND] synonym: "4-hydroxy-3-methoxybenzyl alcohol" RELATED [ChEBI] synonym: "Vanillyl alcohol" EXACT [KEGG_COMPOUND] xref: CAS:498-00-0 {source="KEGG COMPOUND"} xref: HMDB:HMDB0032012 xref: KEGG:C06317 xref: PMID:21705974 {source="Europe PMC"} xref: PMID:23615732 {source="Europe PMC"} xref: PMID:24508370 {source="Europe PMC"} xref: PMID:24725964 {source="Europe PMC"} xref: Reaxys:1910044 {source="Reaxys"} xref: UM-BBD_compID:c0588 {source="UM-BBD"} xref: Wikipedia:Vanillyl_alcohol is_a: CHEBI:33853 ! phenols property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H10O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H10O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,9-10H,5H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZENOXNGFMSCLLL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "154.16320" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "154.06299" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cc(CO)ccc1O" 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 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" EXACT [] synonym: "isomaltulose" RELATED [ChEBI] 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:18404 name: 3-methylcatechol namespace: chebi_ontology alt_id: CHEBI:11857 alt_id: CHEBI:20127 alt_id: CHEBI:43829 alt_id: CHEBI:887 def: "A methylcatechol carrying a methyl substituent at position 3. It is a xenobiotic metabolite produced by some bacteria capable of degrading nitroaromatic compounds present in pesticide-contaminated soil samples." [] subset: 3_STAR synonym: "2,3-Dihydroxytoluene" RELATED [KEGG_COMPOUND] synonym: "2,3-dihydroxytoluene" RELATED [ChEBI] synonym: "3-methylbenzene-1,2-diol" EXACT IUPAC_NAME [IUPAC] synonym: "3-METHYLCATECHOL" EXACT [PDBeChem] synonym: "3-Methylcatechol" EXACT [KEGG_COMPOUND] synonym: "3-methylcatechol" EXACT [UniProt] xref: CAS:488-17-5 {source="ChemIDplus"} xref: CAS:488-17-5 {source="KEGG COMPOUND"} xref: DrugBank:DB03454 xref: KEGG:C02923 xref: MetaCyc:CPD-111 xref: PDBeChem:MBD xref: PMID:20582618 {source="Europe PMC"} xref: PMID:22854893 {source="Europe PMC"} xref: PMID:23250222 {source="Europe PMC"} xref: Reaxys:774602 {source="Reaxys"} xref: UM-BBD_compID:c0125 {source="UM-BBD"} xref: Wikipedia:3-Methylcatechol is_a: CHEBI:18135 ! catechol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H8O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PGSWEKYNAOWQDF-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "124.13722" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "124.05243" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Cc1cccc(O)c1O" xsd:string [Term] id: CHEBI:18414 name: 2',4'-dihydroxyacetophenone is_a: CHEBI:33570 ! benzenediols [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:1879 name: 2-(4-hydroxyphenyl)ethanol namespace: chebi_ontology def: "A phenol substituted at position 4 by a 2-hydroxyethyl group." [] subset: 3_STAR synonym: "4-(2-hydroxyethyl)phenol" EXACT IUPAC_NAME [IUPAC] synonym: "4-Hydroxybenzeneethanol" RELATED [ChemIDplus] synonym: "4-Hydroxyphenylethanol" RELATED [KEGG_COMPOUND] synonym: "p-Hydroxyphenethyl alcohol" RELATED [ChemIDplus] synonym: "Tyrosol" RELATED [KEGG_COMPOUND] synonym: "tyrosol" RELATED [ChEBI] xref: CAS:501-94-0 {source="ChemIDplus"} xref: CAS:501-94-0 {source="KEGG COMPOUND"} xref: Chemspider:9964 xref: FooDB:FDB012695 xref: HMDB:HMDB0004284 xref: KEGG:C06044 xref: KNApSAcK:C00029515 xref: PDBeChem:YRL xref: PMID:21162532 {source="Europe PMC"} xref: PMID:21381678 {source="Europe PMC"} xref: PMID:22824366 {source="Europe PMC"} xref: PMID:25074014 {source="Europe PMC"} xref: Reaxys:1859884 {source="Reaxys"} xref: Wikipedia:Tyrosol is_a: CHEBI:33853 ! phenols property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H10O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,9-10H,5-6H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YCCILVSKPBXVIP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "138.166" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "138.06808" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OCCC1=CC=C(O)C=C1" xsd:string [Term] id: CHEBI:1883 name: 4-hydroxystyrene namespace: chebi_ontology def: "A member of the class of phenols that is styrene carrying a hydroxy substituent at position 4." [] subset: 3_STAR synonym: "4-ethenylphenol" EXACT IUPAC_NAME [IUPAC] synonym: "4-Hydroxystyrene" EXACT [KEGG_COMPOUND] synonym: "4-hydroxystyrene" EXACT [UniProt] synonym: "4-Vinylphenol" RELATED [KEGG_COMPOUND] synonym: "p-Hydroxystyrene" RELATED [ChemIDplus] synonym: "p-Vinylphenol" RELATED [ChemIDplus] xref: CAS:2628-17-3 {source="NIST Chemistry WebBook"} xref: CAS:2628-17-3 {source="ChemIDplus"} xref: CAS:2628-17-3 {source="KEGG COMPOUND"} xref: HMDB:HMDB0004072 xref: KEGG:C05627 xref: MetaCyc:CPD-1075 xref: PMID:11497334 {source="Europe PMC"} xref: PMID:12791301 {source="Europe PMC"} xref: PMID:23081771 {source="Europe PMC"} xref: Reaxys:506844 {source="Reaxys"} is_a: CHEBI:33853 ! phenols 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/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FUGYGGDSWSUORM-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 "Oc1ccc(C=C)cc1" 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: "An inorganic calcium salt having silicate as the counterion." [] subset: 3_STAR synonym: "belite" RELATED [ChEBI] synonym: "calcium hydrosilicate" RELATED [ChemIDplus] synonym: "calcium monosilicate" RELATED [ChemIDplus] synonym: "calcium orthosilicate" RELATED [ChEBI] synonym: "Calflo E" RELATED BRAND_NAME [ChemIDplus] synonym: "Calsil" RELATED BRAND_NAME [ChemIDplus] synonym: "CS lafarge" RELATED BRAND_NAME [ChemIDplus] synonym: "dicalcium orthosilicate" EXACT IUPAC_NAME [IUPAC] synonym: "dicalcium silicate" RELATED [ChEBI] synonym: "dicalcium tetraoxidosilane" RELATED [ChEBI] synonym: "E-552" RELATED [ChEBI] synonym: "E552" RELATED [ChEBI] synonym: "Florite R" RELATED BRAND_NAME [ChemIDplus] synonym: "larnite" RELATED [ChEBI] synonym: "Marimet 45" RELATED BRAND_NAME [ChemIDplus] synonym: "Micro-Cel" RELATED BRAND_NAME [ChemIDplus] synonym: "Promaxon P60" RELATED BRAND_NAME [ChemIDplus] synonym: "silicic acid calcium salt" RELATED [ChEBI] synonym: "silicic acid, calcium salt" RELATED [ChemIDplus] synonym: "Silmos T" RELATED BRAND_NAME [ChemIDplus] synonym: "Solex" RELATED BRAND_NAME [ChemIDplus] synonym: "Toyofine A" RELATED BRAND_NAME [ChemIDplus] xref: CAS:1344-95-2 {source="ChemIDplus"} xref: DrugBank:DB13829 xref: KEGG:D03309 xref: PMID:21527494 {source="Europe PMC"} xref: PMID:21714086 {source="Europe PMC"} xref: PMID:22900792 {source="Europe PMC"} xref: PMID:24292166 {source="Europe PMC"} xref: PMID:29372528 {source="Europe PMC"} xref: PMID:31146033 {source="Europe PMC"} xref: PMID:32867795 {source="Europe PMC"} xref: PMID:35407959 {source="Europe PMC"} xref: PMID:35480858 {source="Europe PMC"} xref: PMID:35633889 {source="Europe PMC"} xref: PMID:6271550 {source="Europe PMC"} xref: Wikipedia:Calcium_silicate 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 "O4Si.Ca.Ca" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2Ca.O4Si/c;;1-5(2,3)4/q2*+2;-4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JHLNERQLKQQLRZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "172.237" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "171.88177" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ca++].[Ca++].[O-][Si]([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: "An organic calcium salt of stearic acid. It is a component of some lubricants and surfactants." [] subset: 3_STAR synonym: "calcium bis(stearate)" RELATED [ChemIDplus] synonym: "calcium di(octadecanoate)" RELATED [ChEBI] synonym: "calcium dioctadecanoate" EXACT IUPAC_NAME [IUPAC] synonym: "calcium distearate" RELATED [ChemIDplus] synonym: "calcium octadecanoate" RELATED [ChemIDplus] synonym: "octadecanoic acid calcium salt" RELATED [ChEBI] synonym: "octadecanoic acid calcium salt (2:1)" RELATED [ChEBI] synonym: "octadecanoic acid, calcium salt" RELATED [ChemIDplus] synonym: "octadecanoic acid, calcium salt (2:1)" RELATED [ChemIDplus] synonym: "stearic acid calcium salt" RELATED [ChemIDplus] synonym: "stearic acid, calcium salt" RELATED [ChemIDplus] xref: CAS:1592-23-0 {source="NIST Chemistry WebBook"} xref: CAS:1592-23-0 {source="ChemIDplus"} xref: Chemspider:14587 xref: FooDB:FDB011517 xref: KEGG:D03310 xref: Patent:CN101602661 xref: PMID:17016002 {source="Europe PMC"} xref: PMID:18469468 {source="Europe PMC"} xref: PMID:22552931 {source="Europe PMC"} xref: PMID:22822530 {source="Europe PMC"} xref: PMID:23983150 {source="Europe PMC"} xref: PMID:24400735 {source="Europe PMC"} xref: PMID:25526671 {source="Europe PMC"} xref: PMID:28030952 {source="Europe PMC"} xref: PMID:30960515 {source="Europe PMC"} xref: PMID:31785939 {source="Europe PMC"} xref: PMID:32204406 {source="Europe PMC"} xref: PMID:33105714 {source="Europe PMC"} xref: PMID:33950770 {source="Europe PMC"} xref: PMID:34517031 {source="Europe PMC"} xref: Wikipedia:Calcium_stearate 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++].CCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCC([O-])=O" 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: tripotassium phosphate namespace: chebi_ontology def: "An inorganic potassium salt that is the tripotassium salt of phosphoric acid." [] subset: 3_STAR synonym: "phosphoric acid potassium salt (1:3)" RELATED [ChEBI] synonym: "phosphoric acid tripotassium salt" RELATED [ChEBI] synonym: "phosphoric acid, potassium salt (1:3)" RELATED [ChemIDplus] synonym: "phosphoric acid, tripotassium salt" RELATED [ChemIDplus] synonym: "potassium orthophosphate" RELATED [ChemIDplus] synonym: "potassium phosphate" RELATED [ChemIDplus] synonym: "potassium phosphate (K3PO4)" RELATED [ChemIDplus] synonym: "potassium phosphate tribasic" RELATED [ChEBI] synonym: "potassium phosphate, tribasic" RELATED [ChemIDplus] synonym: "potassium tribasic phosphate" RELATED [ChEBI] synonym: "tribasic potassium phosphate" RELATED [ChEBI] synonym: "tripotassium orthophosphate" RELATED [ChemIDplus] synonym: "tripotassium phosphate" EXACT IUPAC_NAME [IUPAC] xref: AGR:IND23330970 {source="Europe PMC"} xref: CAS:7778-53-2 {source="NIST Chemistry WebBook"} xref: CAS:7778-53-2 {source="ChemIDplus"} xref: Chemspider:56408 xref: FooDB:FDB013366 xref: PMID:16013388 {source="Europe PMC"} xref: PMID:31735422 {source="Europe PMC"} xref: PMID:34742816 {source="Europe PMC"} xref: PMID:35269614 {source="Europe PMC"} xref: Wikipedia:Tripotassium_phosphate 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+].[O-]P([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:1904 name: 4-methylumbelliferone beta-D-glucuronide namespace: chebi_ontology def: "A beta-D-glucosiduronic acid having a 4-methylumbelliferyl substituent at the anomeric position. A hyaluronan synthesis inhibitor, it is anti-tumourigenic for various malignant tumours." [] subset: 3_STAR synonym: "4-methyl-2-oxo-2H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid" EXACT IUPAC_NAME [IUPAC] synonym: "4-Methylumbelliferone glucuronide" RELATED [KEGG_COMPOUND] synonym: "4-Methylumbelliferyl beta-glucuronide" RELATED [ChemIDplus] synonym: "4-Methylumbelliferyl glucuronide" RELATED [KEGG_COMPOUND] synonym: "4-Methylumbelliferyl glucuronide" RELATED [ChemIDplus] synonym: "4-MUG" RELATED [ChEBI] xref: CAS:6160-80-1 {source="KEGG COMPOUND"} xref: CAS:6160-80-1 {source="ChemIDplus"} xref: KEGG:C11584 xref: PMID:21401602 {source="Europe PMC"} xref: PMID:21512263 {source="Europe PMC"} xref: PMID:27218304 {source="Europe PMC"} xref: PMID:27833847 {source="Europe PMC"} xref: PMID:28054956 {source="Europe PMC"} xref: PMID:28116598 {source="Europe PMC"} xref: PMID:28479734 {source="Europe PMC"} xref: PMID:29846918 {source="Europe PMC"} xref: PMID:30914479 {source="Europe PMC"} xref: Reaxys:53625 {source="Reaxys"} is_a: CHEBI:26004 ! phenylpropanoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C16H16O9" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C16H16O9/c1-6-4-10(17)24-9-5-7(2-3-8(6)9)23-16-13(20)11(18)12(19)14(25-16)15(21)22/h2-5,11-14,16,18-20H,1H3,(H,21,22)/t11-,12-,13+,14-,16+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ARQXEQLMMNGFDU-JHZZJYKESA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "352.293" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "352.07943" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)C2=CC3=C(C(=CC(O3)=O)C)C=C2" xsd:string [Term] id: CHEBI:190412 name: inorganic chromium salt namespace: chebi_ontology def: "A chromium salt that lacks C-H bonds" [] subset: 2_STAR is_a: CDNO:0000022 ! dietary chromium [Term] id: CHEBI:190413 name: organic chromium salt namespace: chebi_ontology def: "A chromium salt with C-H bonds" [] subset: 2_STAR is_a: CDNO:0000022 ! dietary chromium [Term] id: CHEBI:190414 name: inorganic copper salt namespace: chebi_ontology def: "A copper salt that lacks C-H bonds" [] subset: 2_STAR is_a: CDNO:0000023 ! dietary copper [Term] id: CHEBI:190415 name: organic copper salt namespace: chebi_ontology def: "A copper salt with C-H bonds" [] subset: 2_STAR is_a: CDNO:0000023 ! dietary copper [Term] id: CHEBI:190416 name: inorganic fluoride salt namespace: chebi_ontology def: "A fluoride salt that lacks C-H bonds" [] subset: 2_STAR is_a: CDNO:0000024 ! dietary fluorine [Term] id: CHEBI:190417 name: organic fluoride salt namespace: chebi_ontology def: "A fluoride salt with C-H bonds" [] subset: 2_STAR is_a: CDNO:0000024 ! dietary fluorine [Term] id: CHEBI:190418 name: inorganic iodine salt namespace: chebi_ontology def: "An iodine salt that lacks C-H bonds" [] subset: 2_STAR is_a: CDNO:0000025 ! dietary iodine [Term] id: CHEBI:190419 name: organic iodine salt namespace: chebi_ontology def: "An iodine salt with C-H bonds" [] subset: 2_STAR is_a: CDNO:0000025 ! dietary iodine [Term] id: CHEBI:190420 name: inorganic iron salt namespace: chebi_ontology def: "A iron salt that lacks C-H bonds" [] subset: 2_STAR is_a: CDNO:0000026 ! dietary iron [Term] id: CHEBI:190421 name: organic iron salt namespace: chebi_ontology def: "An iron salt with C-H bonds" [] subset: 2_STAR is_a: CDNO:0000026 ! dietary iron [Term] id: CHEBI:190422 name: inorganic manganese salt namespace: chebi_ontology def: "A manganese salt that lacks C-H bonds" [] subset: 2_STAR is_a: CDNO:0000027 ! dietary manganese [Term] id: CHEBI:190423 name: organic manganese salt namespace: chebi_ontology def: "A manganese salt with C-H bonds" [] subset: 2_STAR is_a: CDNO:0000027 ! dietary manganese [Term] id: CHEBI:190424 name: inorganic molybdenum salt namespace: chebi_ontology def: "A molybdenum salt that lacks C-H bonds" [] subset: 2_STAR is_a: CDNO:0000028 ! dietary molybdenum [Term] id: CHEBI:190425 name: organic molybdenum salt namespace: chebi_ontology def: "A molybdenum salt with C-H bonds" [] subset: 2_STAR is_a: CDNO:0000028 ! dietary molybdenum [Term] id: CHEBI:190426 name: selenium(4+) namespace: chebi_ontology subset: 2_STAR xref: PDBeChem:https\://pubchem.ncbi.nlm.nih.gov/compound/Selenium_-ion_4 {source="SUBMITTER"} is_a: CDNO:0000029 ! dietary selenium property_value: http://purl.obolibrary.org/obo/chebi/charge "+4" 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+4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VKDXOLSWFYDUNP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "78.969" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "79.91433" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Se+4]" xsd:string [Term] id: CHEBI:190427 name: selenium(6+) namespace: chebi_ontology subset: 2_STAR is_a: CDNO:0000029 ! dietary selenium property_value: http://purl.obolibrary.org/obo/chebi/charge "+6" 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+6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YSJKLKXJUYYVPH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "78.968" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "79.91323" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Se+6]" xsd:string [Term] id: CHEBI:190428 name: inorganic selenium salt namespace: chebi_ontology def: "A selenium salt that lacks C-H bonds" [] subset: 2_STAR xref: PMID:10408880 {source="SUBMITTER"} is_a: CDNO:0000029 ! dietary selenium [Term] id: CHEBI:190429 name: organic selenium salt namespace: chebi_ontology def: "A selenium salt with C-H bonds" [] subset: 2_STAR is_a: CDNO:0000029 ! dietary selenium [Term] id: CHEBI:190430 name: inorganic zinc salt namespace: chebi_ontology def: "A zinc salt that lacks C-H bonds" [] subset: 2_STAR xref: PMID:33396513 {source="SUBMITTER"} is_a: CDNO:0000030 ! dietary zinc [Term] id: CHEBI:190431 name: organic zinc salt namespace: chebi_ontology def: "A zinc salt with C-H bonds" [] subset: 2_STAR is_a: CDNO:0000030 ! dietary zinc [Term] id: CHEBI:190496 name: titanium(3+) namespace: chebi_ontology subset: 2_STAR 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 "Ti" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/Ti/q+3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CMWCOKOTCLFJOP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "47.865" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "47.94630" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ti+3]" xsd:string [Term] id: CHEBI:1905 name: 4-methylumbelliferone sulfate namespace: chebi_ontology def: "A member of the class of coumarins that is umbelliferone sulfate which carries a methyl group at position 4. It is a metabolite of 4-methylumbelliferone." [] subset: 3_STAR synonym: "(4-methyl-2-oxidanylidene-chromen-7-yl) hydrogen sulfate" RELATED [PDBeChem] synonym: "(4-methyl-2-oxochromen-7-yl) hydrogen sulfate" RELATED [ChEBI] synonym: "4-methyl-2-oxo-2H-1-benzopyran-7-yl hydrogen sulfate" RELATED [IUPAC] synonym: "4-methyl-2-oxo-2H-chromen-7-yl hydrogen sulfate" EXACT IUPAC_NAME [IUPAC] synonym: "4-methyl-7-(sulfooxy)-2H-1-benzopyran-2-one" RELATED [ChemIDplus] synonym: "4-methylumbelliferone sulfate" EXACT [KEGG_COMPOUND] synonym: "4-methylumbelliferyl sulfate" RELATED [KEGG_COMPOUND] synonym: "7-sulfooxy-4-methylcoumarin" RELATED [ChEBI] synonym: "hymecromone 7-sulfate" RELATED [ChEBI] xref: CAS:25892-63-1 {source="KEGG COMPOUND"} xref: CAS:25892-63-1 {source="ChemIDplus"} xref: KEGG:C11585 xref: PDB:4P06 xref: PDBeChem:MUX xref: PMID:24601529 {source="Europe PMC"} xref: PMID:35294 {source="Europe PMC"} xref: PMID:3619646 {source="Europe PMC"} xref: PMID:3713703 {source="Europe PMC"} xref: PMID:8355186 {source="Europe PMC"} xref: PMID:9425929 {source="Europe PMC"} is_a: CHEBI:26004 ! phenylpropanoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H8O6S" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H8O6S/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14/h2-5H,1H3,(H,12,13,14)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FUYLLJCBCKRIAL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "256.230" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "256.00416" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OS(OC=1C=C2OC(C=C(C2=CC1)C)=O)(=O)=O" xsd:string [Term] id: CHEBI:190513 name: calcium citrate namespace: chebi_ontology alt_id: CHEBI:3313 def: "An organic calcium salt composed of calcium cations and citrate anions in a 3:2 ratio." [] subset: 3_STAR synonym: "2-hydroxy-1,2,3-propanetricarboxylic acid calcium salt (2:3)" RELATED [ChemIDplus] synonym: "Acicontral" RELATED BRAND_NAME [ChemIDplus] synonym: "Calcitrate" RELATED BRAND_NAME [ChemIDplus] synonym: "calcium 2-hydroxy-1,2,3-propanetricarboxylate (3:2)" RELATED [ChemIDplus] synonym: "calcium 2-hydroxypropane-1,2,3-tricarboxylate (3/2)" EXACT IUPAC_NAME [IUPAC] synonym: "calcium 2-hydroxypropane-1,2,3-tricarboxylate (3:2)" EXACT IUPAC_NAME [IUPAC] synonym: "calcium citrate tribasic" RELATED [ChEBI] synonym: "calcium citrate, tribasic" RELATED [ChemIDplus] synonym: "citric acid calcium salt (2:3)" RELATED [ChemIDplus] synonym: "tribasic calcium citrate" RELATED [ChemIDplus] synonym: "tricalcium bis(2-hydroxypropane-1,2,3-tricarboxylic acid)" RELATED [HMDB] synonym: "tricalcium bis(citric acid)" RELATED [HMDB] synonym: "tricalcium citrate" RELATED [ChemIDplus] synonym: "tricalcium dicitrate" RELATED [ChemIDplus] xref: CAS:813-94-5 {source="ChemIDplus"} xref: Chemspider:12584 xref: DrugBank:DB11093 xref: FooDB:FDB013368 xref: HMDB:HMDB0303432 xref: PMID:27558620 {source="Europe PMC"} xref: PMID:27710434 {source="Europe PMC"} xref: PMID:29389571 {source="Europe PMC"} xref: PMID:29580478 {source="Europe PMC"} xref: PMID:30107042 {source="Europe PMC"} xref: PMID:30388775 {source="Europe PMC"} xref: PMID:31643038 {source="Europe PMC"} xref: PMID:32050854 {source="Europe PMC"} xref: PMID:32622256 {source="Europe PMC"} xref: PMID:34343801 {source="SUBMITTER"} xref: PMID:34746580 {source="Europe PMC"} xref: PMID:35036734 {source="Europe PMC"} xref: Wikipedia:Calcium_citrate 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 "2C6H5O7.3Ca" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C6H5O7.C6H5O7.Ca.Ca.Ca" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/2C6H8O7.3Ca/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FNAQSUUGMSOBHW-UHFFFAOYSA-H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "498.432" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "497.89483" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O" xsd:string [Term] id: CHEBI:190515 name: organic calcium compound namespace: chebi_ontology def: "A calcium compound with C-H bonds" [] subset: 2_STAR is_a: CDNO:0000015 ! dietary calcium [Term] id: CHEBI:190516 name: organic phosphate compound namespace: chebi_ontology def: "A phosphate compound with C-H bonds" [] subset: 2_STAR is_a: CDNO:0000018 ! dietary phosphorus [Term] id: CHEBI:190517 name: organic iron compound namespace: chebi_ontology def: "An iron compound with C-H bonds" [] subset: 2_STAR is_a: CDNO:0000026 ! dietary iron [Term] id: CHEBI:190519 name: beta-lactoglobulin namespace: chebi_ontology def: "A globular protein that is present in the milk of many mammalian species including ruminants, such as cows and sheep, and some non-ruminants, such as pigs and horses" [] comment: Further classification will be integrated for this class subset: 2_STAR synonym: "Beta-LG" RELATED [SUBMITTER] xref: PMID:15259212 {source="SUBMITTER"} is_a: CHEBI:36080 ! protein [Term] id: CHEBI:190521 name: napin namespace: chebi_ontology def: "A group of small molecular weight albumins (15-17 kDa) that are one of the two major kinds of storage proteins synthesized in the seeds of mustard and rapeseed during its maturation. Its heterodimer structure is composed of two polypeptide chains that are held together by disulfide bonds. The proteins are soluble in a wide pH range and show high heat stability." [] comment: Further classification will be integrated for this class subset: 3_STAR synonym: "napins" RELATED [ChEBI] xref: AGR:IND44654715 {source="Europe PMC"} xref: PMID:27020281 {source="Europe PMC"} xref: PMID:33011413 {source="Europe PMC"} xref: PMID:3771543 {source="SUBMITTER"} xref: PMID:7508056 {source="SUBMITTER"} xref: Wikipedia:Napin is_a: CDNO:0000009 ! seed storage protein [Term] id: CHEBI:190522 name: gliadin namespace: chebi_ontology def: "A prolamin present in wheat and several other cereals within the grass genus Triticum. It is made up of single-chain polypeptides with an average molecular weight of 25-100 kDa linked by intramolecular disulfide bonds and classified based on its primary amino acid sequence into the alpha/beta-, gamma- and omega-type." [] comment: Further classification will be integrated for this class subset: 3_STAR synonym: "gliadins" RELATED [ChemIDplus] synonym: "glutins (gliadins)" RELATED [ChEBI] synonym: "Omni-Smooth" RELATED BRAND_NAME [ChEBI] xref: AGR:IND607710400 {source="Europe PMC"} xref: CAS:9007-90-3 {source="ChemIDplus"} xref: FooDB:FDB012968 xref: HMDB:HMDB0252744 xref: PMID:17008153 {source="SUBMITTER"} xref: PMID:34224906 {source="Europe PMC"} xref: PMID:34500820 {source="Europe PMC"} xref: PMID:34537618 {source="Europe PMC"} xref: PMID:34715206 {source="Europe PMC"} xref: PMID:35047092 {source="Europe PMC"} xref: PMID:35113104 {source="Europe PMC"} xref: Wikipedia:Gliadin is_a: CHEBI:36080 ! protein [Term] id: CHEBI:192499 name: anthoxanthin name: anthoxanthin namespace: chebi_ontology def: "are a type of flavonoid pigments in plants. Anthoxanthins are water-soluble pigments which range in color from white or colorless to a creamy to yellow, often on petals of flowers." [] subset: 2_STAR xref: Wikipedia:https\://en.wikipedia.org/wiki/Anthoxanthin {source="SUBMITTER"} 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/mass "0.000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "0.00000" xsd:string [Term] id: CHEBI:192500 name: flavanonol namespace: chebi_ontology def: "a class of flavonoids that use the 3-hydroxy-2,3-dihydro-2-phenylchromen-4-one (IUPAC name) backbone." [] subset: 2_STAR xref: Wikipedia:https\://en.wikipedia.org/wiki/Flavanonol {source="SUBMITTER"} is_a: CHEBI:38672 ! flavans property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "0.000" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "0.00000" xsd:string [Term] id: CHEBI:192501 name: sanguiin H6 name: sanguiin H6 namespace: chebi_ontology def: "Dimer of casuarictin linked by a bond between the gallic acid residue and one of the hexahydroxydiphenic acid units. It has sanguisorbic acid ester groups as linking units between glucopyranose moieties." [] subset: 2_STAR xref: Wikipedia:https\://en.wikipedia.org/wiki/Sanguiin_H-6 {source="SUBMITTER"} is_a: CHEBI:23909 ! ellagitannin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C82H54O52" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C82H54O52/c83-23-1-14(2-24(84)45(23)93)71(112)133-81-70-68(130-77(118)20-9-30(90)50(98)57(105)39(20)41-22(79(120)132-70)11-32(92)52(100)59(41)107)65-35(126-81)13-123-74(115)17-6-27(87)53(101)60(108)42(17)43-44(80(121)128-65)66(63(111)62(110)61(43)109)124-33-4-15(3-25(85)46(33)94)72(113)134-82-69-67(129-76(117)19-8-29(89)49(97)56(104)38(19)40-21(78(119)131-69)10-31(91)51(99)58(40)106)64-34(125-82)12-122-73(114)16-5-26(86)47(95)54(102)36(16)37-18(75(116)127-64)7-28(88)48(96)55(37)103/h1-11,34-35,64-65,67-70,81-111H,12-13H2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FFZOOOCGCNFHAQ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "1871.282" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "1870.15811" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O1C2(C(OC(=O)C3=C(C=4C(C(OC2([H])[H])=O)=C(C(O[H])=C(O[H])C4O[H])[H])C(O[H])=C(O[H])C(O[H])=C3OC5=C(C(C(OC6(OC7(C(OC(=O)C=8C(C=9C(C(OC7([H])[H])=O)=C(C(O[H])=C(O[H])C9O[H])[H])=C(O[H])C(O[H])=C(O[H])C8[H])(C%10(OC(=O)C=%11C(C=%12C(C(OC%106[H])=O)=C(C(O[H])=C(O[H])C%12O[H])[H])=C(O[H])C(O[H])=C(O[H])C%11[H])[H])[H])[H])[H])=O)=C(C(O[H])=C5O[H])[H])[H])(C%13(OC(=O)C=%14C(C=%15C(C(OC%13(C1(OC(=O)C%16=C(C(O[H])=C(O[H])C(O[H])=C%16[H])[H])[H])[H])=O)=C(C(O[H])=C(O[H])C%15O[H])[H])=C(O[H])C(O[H])=C(O[H])C%14[H])[H])[H])[H]" xsd:string [Term] id: CHEBI:192502 name: lambertianin C name: lambertianin C namespace: chebi_ontology def: "Is trimer of casuarictin linked by sanguisorbic acid ester groups between glucopyranose moieties. It contributes to the antioxidant capacity of raspberries." [] subset: 2_STAR xref: Wikipedia:https\://en.wikipedia.org/wiki/Lambertianin_C {source="SUBMITTER"} is_a: CHEBI:23909 ! ellagitannin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C82H54O52" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C82H54O52/c83-23-1-14(2-24(84)45(23)93)71(112)133-81-70-68(130-77(118)20-9-30(90)50(98)57(105)39(20)41-22(79(120)132-70)11-32(92)52(100)59(41)107)65-35(126-81)13-123-74(115)17-6-27(87)53(101)60(108)42(17)43-44(80(121)128-65)66(63(111)62(110)61(43)109)124-33-4-15(3-25(85)46(33)94)72(113)134-82-69-67(129-76(117)19-8-29(89)49(97)56(104)38(19)40-21(78(119)131-69)10-31(91)51(99)58(40)106)64-34(125-82)12-122-73(114)16-5-26(86)47(95)54(102)36(16)37-18(75(116)127-64)7-28(88)48(96)55(37)103/h1-11,34-35,64-65,67-70,81-111H,12-13H2/t34-,35-,64-,65-,67+,68+,69-,70-,81+,82+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "FFZOOOCGCNFHAQ-UTIVGCTBSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "1871.282" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "1870.15811" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O1[C@]2([C@@](OC(=O)C3=C(C=4C(C(OC2([H])[H])=O)=C(C(O[H])=C(O[H])C4O[H])[H])C(O[H])=C(O[H])C(O[H])=C3OC5=C(C(C(O[C@@]6(O[C@]7([C@@](OC(=O)C=8C(C=9C(C(OC7([H])[H])=O)=C(C(O[H])=C(O[H])C9O[H])[H])=C(O[H])C(O[H])=C(O[H])C8[H])([C@@]%10(OC(=O)C=%11C(C=%12C(C(O[C@]%106[H])=O)=C(C(O[H])=C(O[H])C%12O[H])[H])=C(O[H])C(O[H])=C(O[H])C%11[H])[H])[H])[H])[H])=O)=C(C(O[H])=C5O[H])[H])[H])([C@@]%13(OC(=O)C=%14C(C=%15C(C(O[C@]%13([C@@]1(OC(=O)C%16=C(C(O[H])=C(O[H])C(O[H])=C%16[H])[H])[H])[H])=O)=C(C(O[H])=C(O[H])C%15O[H])[H])=C(O[H])C(O[H])=C(O[H])C%14[H])[H])[H])[H]" xsd:string [Term] id: CHEBI:192503 name: arecatannin a2 name: arecatannin a2 namespace: chebi_ontology def: "a class of condensed tannins in the sub-class procyanidins contained in the seeds of Areca catechu also called betel nut. The arecatannin-type natural products from Ceylonese cassia bark and Areca seed are examples polyphenols by both current definitions, and fit the distinct definition of a polymeric phenol as well." [] subset: 2_STAR xref: PDBeChem:https\://pubchem.ncbi.nlm.nih.gov/substance/163311886 {source="SUBMITTER"} is_a: CHEBI:166895 ! procyanidin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C60H50O24" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C60H50O24/c61-23-13-34(71)42-41(14-23)81-55(20-2-6-26(63)31(68)10-20)51(78)48(42)44-36(73)17-38(75)46-50(53(80)57(83-59(44)46)22-4-8-28(65)33(70)12-22)47-39(76)18-37(74)45-49(52(79)56(84-60(45)47)21-3-7-27(64)32(69)11-21)43-35(72)16-29(66)24-15-40(77)54(82-58(24)43)19-1-5-25(62)30(67)9-19/h1-14,16-18,40,48-57,61-80H,15H2/t40-,48+,49-,50+,51+,52+,53+,54+,55+,56+,57+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "QFLMUASKTWGRQE-MPCJJEQZSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "1155.036" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "1154.26920" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O1C2=C([C@H](C=3C=4O[C@@H]([C@H](O)[C@H](C4C(O)=CC3O)C=5C=6O[C@@H]([C@@H](O)CC6C(O)=CC5O)C7=CC(O)=C(O)C=C7)C8=CC(O)=C(O)C=C8)[C@@H](O)[C@H]1C9=CC(O)=C(O)C=C9)C(O)=CC(O)=C2[C@H]%10C%11=C(O[C@@H]([C@@H]%10O)C%12=CC(O)=C(O)C=C%12)C=C(O)C=C%11O" xsd:string [Term] id: CHEBI:20106 name: vanillylmandelic acid namespace: chebi_ontology def: "An aromatic ether that is the 3-O-methyl ether of 3,4-dihydroxymandelic acid." [] subset: 3_STAR synonym: "2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "3-methoxy-4-hydroxymandelic acid" RELATED [ChEBI] synonym: "hydroxy(4-hydroxy-3-methoxyphenyl)acetic acid" RELATED [IUPAC] synonym: "Vanillylmandelic acid" EXACT [KEGG_COMPOUND] synonym: "Vanilmandelic acid" RELATED [ChemIDplus] xref: Beilstein:2213227 {source="Beilstein"} xref: CAS:55-10-7 {source="ChemIDplus"} xref: CAS:55-10-7 {source="KEGG COMPOUND"} xref: HMDB:HMDB0000291 xref: KEGG:C05584 xref: MetaCyc:VANILLYL_MANDELATE xref: PMID:13756637 {source="Europe PMC"} xref: PMID:23112240 {source="Europe PMC"} xref: PMID:23399766 {source="Europe PMC"} xref: PMID:23830883 {source="Europe PMC"} xref: PMID:24327171 {source="Europe PMC"} xref: Reaxys:2213227 {source="Reaxys"} xref: Wikipedia:Vanillylmandelic_acid is_a: CHEBI:33853 ! phenols 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/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CGQCWMIAEPEHNQ-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(ccc1O)C(O)C(O)=O" xsd:string [Term] id: CHEBI:2120 name: cardol namespace: chebi_ontology def: "Resorcinol substituted at position 5 by a pentadecyl chain." [] subset: 3_STAR synonym: "5-n-pentadecylresorcinol" RELATED [ChEBI] synonym: "5-pentadecylbenzene-1,3-diol" EXACT IUPAC_NAME [IUPAC] synonym: "5-Pentadecylresorcinol" RELATED [KEGG_COMPOUND] synonym: "adipostatin A" RELATED [ChEBI] synonym: "Cardol" EXACT [KEGG_COMPOUND] synonym: "PDR" RELATED [ChEBI] xref: Beilstein:1982742 {source="Beilstein"} xref: CAS:3158-56-3 {source="ChemIDplus"} xref: CAS:3158-56-3 {source="KEGG COMPOUND"} xref: KEGG:C10809 xref: KNApSAcK:C00002662 xref: PMID:1500355 {source="Europe PMC"} xref: PMID:16506814 {source="Europe PMC"} xref: PMID:21462031 {source="Europe PMC"} xref: PMID:2939241 {source="Europe PMC"} xref: PMID:3742608 {source="Europe PMC"} xref: Wikipedia:Adipostatin_A is_a: CHEBI:33570 ! benzenediols property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H36O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h16-18,22-23H,2-15H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KVVSCMOUFCNCGX-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "320.50934" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "320.27153" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CCCCCCCCCCCCCCCc1cc(O)cc(O)c1" xsd:string [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: CHEBI:72544 ! flavonoids [Term] id: CHEBI:22470 name: alpha-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:72544 ! flavonoids [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:22707 name: benzenetriol namespace: chebi_ontology def: "A triol in which three hydroxy groups are substituted onto a benzene ring." [] subset: 3_STAR synonym: "benzenetriols" RELATED [ChEBI] synonym: "trihydroxybenzenes" RELATED [ChEBI] is_a: CHEBI:33853 ! phenols [Term] id: CHEBI:22798 name: beta-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-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:23044 ! carotenoid 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: 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:23245 name: cinnamaldehydes namespace: chebi_ontology def: "An enal based on a cinnamaldehyde skeleton and its substituted derivatives." [] subset: 3_STAR is_a: CHEBI:26004 ! phenylpropanoid [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 is_a: CHEBI:37163 ! glucan property_value: IAO:0000231 IAO:0000227 is_obsolete: true [Term] id: CHEBI:2366 name: absinthin namespace: chebi_ontology def: "A dimeric sesquiterpene lactone that is produced by the plant Artemisia absinthium (Wormwood). The bitter tasting constituent of Absinthe." [] subset: 3_STAR synonym: "(+)-absinthin" RELATED [ChEBI] synonym: "(1R,2R,5S,8S,9S,12S,13R,14S,15S,16R,17S,20S,21S,24S)-12,17-dihydroxy-3,8,12,17,21,25-hexamethyl-6,23-dioxaheptacyclo[13.9.2.0(1,16).0(2,14).0(4,13).0(5,9).0(20,24)]hexacosa-3,25-diene-7,22-dione" EXACT IUPAC_NAME [IUPAC] synonym: "Absinthin" EXACT [KEGG_COMPOUND] synonym: "Absynthin" RELATED [ChemIDplus] xref: AGR:IND43864075 {source="Europe PMC"} xref: CAS:1362-42-1 {source="ChemIDplus"} xref: CAS:1362-42-1 {source="KEGG COMPOUND"} xref: HMDB:HMDB0035742 xref: KEGG:C09286 xref: KNApSAcK:C00000172 xref: Patent:CN101658656 xref: Patent:SE530687 xref: PMID:15631427 {source="Europe PMC"} xref: PMID:25037681 {source="Europe PMC"} xref: Reaxys:4730201 {source="Reaxys"} xref: Wikipedia:Absinthin is_a: CHEBI:26873 ! terpenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C30H40O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C30H40O6/c1-12-11-18-20-21(30(12)24(18)29(6,34)10-8-17-14(3)27(32)36-25(17)30)15(4)19-22(20)28(5,33)9-7-16-13(2)26(31)35-23(16)19/h11,13-14,16-18,20-25,33-34H,7-10H2,1-6H3/t13-,14-,16-,17-,18+,20-,21-,22-,23-,24-,25-,28-,29-,30+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PZHWYURJZAPXAN-ILOFNVQHSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "496.63500" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "496.28249" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12CC[C@](C)(O)[C@@]3([H])C(=C(C)[C@@]4([H])[C@]3([H])[C@H]3C=C(C)[C@@]44[C@@]5([H])OC(=O)[C@@H](C)[C@]5([H])CC[C@](C)(O)[C@]34[H])[C@@]1([H])OC(=O)[C@H]2C" xsd:string [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:78689 ! hydrolysable tannin [Term] id: CHEBI:24020 name: fat-soluble vitamin (role) namespace: chebi_ontology def: "Any vitamin that dissolves in fats and are stored in body tissues. Unlike the water-soluble vitamins, they are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess." [] subset: 3_STAR synonym: "fat-soluble vitamin" RELATED [ChEBI] synonym: "fat-soluble vitamins" RELATED [ChEBI] synonym: "fettloesliche Vitamine" RELATED [ChEBI] xref: PMID:31838543 {source="Europe PMC"} xref: PMID:32057251 {source="Europe PMC"} xref: PMID:33549284 {source="Europe PMC"} xref: PMID:34045883 {source="Europe PMC"} is_a: CHEBI:33229 ! vitamin (role) [Term] id: CHEBI:24043 name: flavones namespace: chebi_ontology def: "A member of the class of flavonoid with a 2-aryl-1-benzopyran-4-one (2-arylchromen-4-one) skeleton and its substituted derivatives." [] subset: 3_STAR synonym: "2-aryl-1-benzopyran-4-one" RELATED [ChEBI] synonym: "2-aryl-1-benzopyran-4-ones" RELATED [ChEBI] synonym: "2-arylchromen-4-one" RELATED [ChEBI] synonym: "2-arylchromen-4-ones" RELATED [ChEBI] synonym: "a flavone" RELATED [UniProt] xref: MetaCyc:Flavones xref: Wikipedia:Flavone is_a: CHEBI:192499 ! anthoxanthin 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 "O1C2=C(C(C(=C1C3=C(C(=C(C(=C3*)*)*)*)*)*)=O)C(=C(C(=C2*)*)*)*" xsd:string [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:78689 ! hydrolysable 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:24279 name: glucosinolate namespace: chebi_ontology def: "Water-soluble anionic substituted thioglucosides. Glucosinolates have a central C atom which is bonded via an S atom to a glycone group and via an N atom to a sulfonated oxime group, and which also carries a side-group. The side-chain and sulfate group have an anti stereochemical configuration across the C=N double bond." [] subset: 3_STAR synonym: "glucosinolate" EXACT [ChEBI] synonym: "glucosinolates" RELATED [ChEBI] xref: KEGG:C17260 xref: PMID:17139450 {source="Europe PMC"} xref: PMID:17461791 {source="Europe PMC"} xref: PMID:22405332 {source="Europe PMC"} xref: Wikipedia:Glucosinolate is_a: CHEBI:72544 ! flavonoids property_value: http://purl.obolibrary.org/obo/chebi/charge "-1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H11NO9S2R" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "317.296" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "316.98752" 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)CO)S/C(=N\\OS([O-])(=O)=O)/*" xsd:string [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: 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:24673 name: hydroxybenzaldehyde namespace: chebi_ontology subset: 3_STAR synonym: "formylphenol" RELATED [ChEBI] synonym: "hydroxybenzaldehyde" EXACT IUPAC_NAME [IUPAC] xref: CAS:28777-87-9 {source="ChemIDplus"} is_a: CHEBI:33853 ! phenols property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H6O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "122.122" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "122.03678" xsd:string [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: CHEBI:26004 ! phenylpropanoid [Term] id: CHEBI:24697 name: hydroxyflavanone namespace: chebi_ontology def: "A member of the class of flavanones that consists of flavanone with one or more hydroxy substituents." [] subset: 3_STAR synonym: "hydroxyflavanone" EXACT [ChEBI] synonym: "hydroxyflavanones" RELATED [ChEBI] is_a: CHEBI:5070 ! flavanone [Term] id: CHEBI:24698 name: hydroxyflavone namespace: chebi_ontology def: "Any flavone in which one or more ring hydrogens are replaced by hydroxy groups." [] subset: 3_STAR synonym: "hydroxyflavones" RELATED [ChEBI] is_a: CHEBI:42491 ! flavone [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 synonym: "hydroxyprolines" RELATED [ChEBI] 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 ! omega-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:25459 name: myrtenic acid namespace: chebi_ontology alt_id: CHEBI:29635 def: "A monoterpenoid that is 6,6-dimethylbicyclo[3.1.1]hept-2-ene substituted by a carboxy group at position 2." [] subset: 3_STAR synonym: "6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylic acid" EXACT IUPAC_NAME [IUPAC] synonym: "myrtenic acid" EXACT [KEGG_COMPOUND] synonym: "myrtenoic acid" RELATED [NIST_Chemistry_WebBook] xref: CAS:19250-17-0 {source="ChemIDplus"} xref: CAS:19250-17-0 {source="KEGG COMPOUND"} xref: CAS:19250-17-0 {source="NIST Chemistry WebBook"} xref: KEGG:C11940 xref: LIPID_MAPS_instance:LMPR0102120024 {source="LIPID MAPS"} xref: PMID:26679931 {source="Europe PMC"} xref: PMID:26996011 {source="Europe PMC"} xref: PMID:29575869 {source="Europe PMC"} xref: PMID:7385912 {source="Europe PMC"} xref: UM-BBD_compID:c0633 {source="UM-BBD"} is_a: CHEBI:26873 ! terpenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H14O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H14O2/c1-10(2)6-3-4-7(9(11)12)8(10)5-6/h4,6,8H,3,5H2,1-2H3,(H,11,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XPHVDOXZJRTIMV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "166.220" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "166.09938" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C12CC(C1(C)C)CC=C2C(O)=O" xsd:string [Term] id: CHEBI:25481 name: naphthoquinone namespace: chebi_ontology def: "A polycyclic aromatic ketone metabolite of naphthalene." [] subset: 3_STAR synonym: "naphthoquinones" RELATED [ChEBI] is_a: CHEBI:72544 ! flavonoids [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 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 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:47916 ! flavonoid 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: CHEBI:26848 ! tannin [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:23042 ! carotene 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: 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:47916 ! flavonoid is_a: CHEBI:78689 ! hydrolysable tannin [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 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:26660 name: sesterterpenoid namespace: chebi_ontology alt_id: CHEBI:53180 def: "Any terpenoid derived from a sesterterpene. The term includes compounds in which the C25 skeleton of the parent sesterterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups). Sometimes sesterterpenoids are erroneously referred to as sesterpenoids." [] subset: 3_STAR synonym: "C25 terpenoid" RELATED [ChEBI] synonym: "C25 terpenoids" RELATED [ChEBI] synonym: "sesterpenoids" RELATED [ChEBI] synonym: "sesterterpenoids" RELATED [ChEBI] xref: LIPID_MAPS_class:LMPR0105 {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: "E 222" RELATED [ChEBI] synonym: "E222" RELATED [ChEBI] synonym: "hydrogen sulfite sodium" RELATED [ChEBI] synonym: "NaHSO3" RELATED [IUPAC] synonym: "NaHSO3" RELATED [ChEBI] 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] synonym: "sulfurous acid monosodium salt" RELATED [ChEBI] synonym: "sulfurous acid sodium salt" RELATED [ChEBI] synonym: "sulfurous acid, monosodium salt" RELATED [ChEBI] synonym: "sulfurous acid, sodium salt (1:1)" RELATED [ChEBI] xref: AGR:IND605265115 {source="Europe PMC"} xref: CAS:7631-90-5 {source="NIST Chemistry WebBook"} xref: DrugBank:DB14015 xref: FooDB:FDB015420 xref: Gmelin:22395 {source="Gmelin"} xref: KEGG:D02059 xref: PMID:27905861 {source="Europe PMC"} xref: PMID:30429859 {source="Europe PMC"} xref: PMID:32714086 {source="Europe PMC"} xref: PMID:32785935 {source="Europe PMC"} xref: PMID:35114314 {source="Europe PMC"} xref: PMID:36440381 {source="Europe PMC"} xref: Wikipedia:Sodium_bisulfite 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: 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 "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: CHEBI:26775 ! stilbene [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: CHEBI:24913 ! isoprenoid is_a: CHEBI:72544 ! flavonoids [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:27314 name: water-soluble vitamin (role) namespace: chebi_ontology def: "Any vitamin that dissolves in water and readily absorbed into tissues for immediate use. Unlike the fat-soluble vitamins, they are not stored in the body and need to be replenished regularly in the diet and will rarely accumulate to toxic levels since they are quickly excreted from the body via urine." [] subset: 3_STAR synonym: "wasserloesliche Vitamine" RELATED [ChEBI] synonym: "water-soluble vitamin" RELATED [ChEBI] synonym: "water-soluble vitamins" RELATED [ChEBI] is_a: CHEBI:33229 ! vitamin (role) [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:27408 name: avenacin A-1 namespace: chebi_ontology alt_id: CHEBI:22677 alt_id: CHEBI:2935 subset: 3_STAR synonym: "3beta-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-alpha-L-arabinopyranosyl]oxy}-16beta,23-dihydroxy-30-oxo-12beta,13-epoxyoleanan-21beta-yl 2-(methylamino)benzoate" EXACT IUPAC_NAME [IUPAC] synonym: "Avenacin A-1" EXACT [KEGG_COMPOUND] xref: CAS:90547-90-3 {source="KEGG COMPOUND"} xref: KEGG:C08926 xref: KNApSAcK:C00003502 is_a: CHEBI:26873 ! terpenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C55H83NO21" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C55H83NO21/c1-49(23-59)17-32-51(3,19-36(49)74-45(69)25-10-8-9-11-26(25)56-7)33(61)18-54(6)53(5)15-12-30-50(2,31(53)16-35-55(32,54)77-35)14-13-34(52(30,4)24-60)75-48-44(76-47-43(68)41(66)38(63)28(21-58)72-47)39(64)29(22-70-48)73-46-42(67)40(65)37(62)27(20-57)71-46/h8-11,23,27-44,46-48,56-58,60-68H,12-22,24H2,1-7H3/t27-,28-,29+,30-,31-,32-,33+,34+,35-,36+,37-,38-,39+,40+,41+,42-,43-,44-,46+,47+,48+,49+,50+,51+,52+,53-,54+,55-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "SYXUBXTYGFJFEH-PFTGTSLFSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "1094.24166" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "1093.54576" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H][C@@]12CC[C@]3(C)[C@]([H])(C[C@H]4O[C@]44[C@]5([H])C[C@@](C)(C=O)[C@H](C[C@]5(C)[C@@H](O)C[C@@]34C)OC(=O)c3ccccc3NC)[C@@]1(C)CC[C@H](O[C@@H]1OC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]2(C)CO" xsd:string [Term] id: CHEBI:27432 name: alpha-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: "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 ! omega-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:27448 name: lutein 5,6-epoxide is_a: CHEBI:27325 ! xanthophyll [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 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 is_a: CHEBI:38697 ! anthocyanin 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:27479 name: 2'-hydroxydaidzein namespace: chebi_ontology alt_id: CHEBI:11399 alt_id: CHEBI:19266 alt_id: CHEBI:841 def: "A hydroxyisoflavone that is daidzein bearing an additional hydroxy substituent at position 2'." [] subset: 3_STAR synonym: "2',4',7-trihydroxyisoflavone" RELATED [ChEBI] synonym: "2'-Hydroxydaidzein" EXACT [KEGG_COMPOUND] synonym: "3-(2,4-dihydroxyphenyl)-7-hydroxy-4H-1-benzopyran-4-one" RELATED [ChemIDplus] synonym: "3-(2,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "4H-1-benzopyran-4-one, 3-(2,4-dihydroxyphenyl)-7-hydroxy-" RELATED [ChemIDplus] xref: Beilstein:1256280 {source="Beilstein"} xref: CAS:7678-85-5 {source="ChemIDplus"} xref: HMDB:HMDB0029372 xref: KEGG:C02495 xref: KNApSAcK:C00009383 xref: LIPID_MAPS_instance:LMPK12050083 {source="LIPID MAPS"} xref: MetaCyc:2-HYDROXYDAIDZEIN xref: PMID:15013012 {source="Europe PMC"} xref: PMID:2306102 {source="Europe PMC"} xref: PMID:9790908 {source="Europe PMC"} xref: Reaxys:1256280 {source="Reaxys"} 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/c16-8-1-3-10(13(18)5-8)12-7-20-14-6-9(17)2-4-11(14)15(12)19/h1-7,16-18H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZCTNPCRBEWXCGP-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(c(O)c1)-c1coc2cc(O)ccc2c1=O" xsd:string [Term] id: CHEBI:27510 name: umbelliferone namespace: chebi_ontology alt_id: CHEBI:27187 alt_id: CHEBI:27188 alt_id: CHEBI:9858 def: "A hydroxycoumarin that is coumarin substituted by a hydroxy group ay position 7." [] subset: 3_STAR synonym: "7-hydroxy-2H-1-benzopyran-2-one" RELATED [NIST_Chemistry_WebBook] synonym: "7-hydroxy-2H-chromen-2-one" EXACT IUPAC_NAME [IUPAC] synonym: "7-Hydroxycoumarin" RELATED [KEGG_COMPOUND] synonym: "beta-umbelliferone" RELATED [NIST_Chemistry_WebBook] synonym: "hydrangin" RELATED [ChemIDplus] synonym: "skimmetin" RELATED [ChemIDplus] synonym: "Umbelliferone" EXACT [KEGG_COMPOUND] synonym: "umbelliferone" EXACT [UniProt] xref: Beilstein:127683 {source="Beilstein"} xref: CAS:93-35-6 {source="ChemIDplus"} xref: CAS:93-35-6 {source="NIST Chemistry WebBook"} xref: CAS:93-35-6 {source="KEGG COMPOUND"} xref: Gmelin:1220112 {source="Gmelin"} xref: KEGG:C09315 xref: KNApSAcK:C00002503 xref: LINCS:LSM-3960 is_a: CHEBI:26004 ! phenylpropanoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H6O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ORHBXUUXSCNDEV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "162.142" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "162.03169" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C12=CC(=CC=C2C=CC(O1)=O)O" xsd:string [Term] id: CHEBI:27514 name: genistein 7-O-beta-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" EXACT [] 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:28088 ! genistein 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: "(2S)-naringenin 4'-methyl ether" RELATED [UniProt] 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: PMID:30031654 {source="Europe PMC"} 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:27587 name: garbanzol namespace: chebi_ontology alt_id: CHEBI:24200 alt_id: CHEBI:5275 def: "A member of the class of dihydroflavonols that is (2S)-flavanone substituted by hydroxy groups at positions 3, 7 and 4'." [] subset: 3_STAR synonym: "(2R,3R)-3,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "3,7,4'-Trihydroxyflavanone" RELATED [KEGG_COMPOUND] synonym: "Garbanzol" EXACT [KEGG_COMPOUND] xref: CAS:1226-22-8 {source="KEGG COMPOUND"} xref: KEGG:C09751 xref: KNApSAcK:C00000964 xref: PMID:14698512 {source="Europe PMC"} xref: Reaxys:11287140 {source="Reaxys"} xref: Wikipedia:Garbanzol is_a: CHEBI:24697 ! hydroxyflavanone 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)15-14(19)13(18)11-6-5-10(17)7-12(11)20-15/h1-7,14-17,19H/t14-,15+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "VRTGGIJPIYOHGT-LSDHHAIUSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "272.25280" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "272.06847" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "O[C@@H]1[C@H](Oc2cc(O)ccc2C1=O)c1ccc(O)cc1" 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:166895 ! procyanidin 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:27679 name: betagarin namespace: chebi_ontology alt_id: CHEBI:22857 alt_id: CHEBI:3072 def: "An extended flavonoid that is 6,7-methylenedioxyflavanone substituted by methoxy groups at positions 5 and 2' respectively." [] subset: 3_STAR synonym: "(6S)-9-methoxy-6-(2-methoxyphenyl)-6,7-dihydro-8H-[1,3]dioxolo[4,5-g]chromen-8-one" EXACT IUPAC_NAME [IUPAC] synonym: "5,2'-Dimethoxy-6,7-methylenedioxyflavanone" RELATED [KEGG_COMPOUND] synonym: "Betagarin" EXACT [KEGG_COMPOUND] xref: CAS:60132-69-6 {source="KEGG COMPOUND"} xref: HMDB:HMDB0030727 xref: KEGG:C09479 xref: KNApSAcK:C00000942 xref: LIPID_MAPS_instance:LMPK12140599 {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 "C18H16O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C18H16O6/c1-20-12-6-4-3-5-10(12)13-7-11(19)16-14(24-13)8-15-17(18(16)21-2)23-9-22-15/h3-6,8,13H,7,9H2,1-2H3/t13-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IHPVFYLOGNNZLA-ZDUSSCGKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "328.31600" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "328.09469" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccccc1[C@@H]1CC(=O)c2c(O1)cc1OCOc1c2OC" 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 ! phytosterols 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:27774 name: lubimin namespace: chebi_ontology alt_id: CHEBI:25077 alt_id: CHEBI:6551 def: "A vetispirane sesquiterpenoid that consists of (2R,5S,6S,8S,10R)-8-hydroxy-10-methyl-2-(prop-1-en-2-yl)spiro[4.5]decane bearing a formyl substituent at position 6." [] subset: 3_STAR synonym: "(2R,5S,6S,8S,10R)-8-hydroxy-10-methyl-2-(prop-1-en-2-yl)spiro[4.5]decane-6-carbaldehyde" EXACT IUPAC_NAME [IUPAC] synonym: "(2R,5S,6S,8S,10R)-8-hydroxy-2-isopropenyl-10-methylspiro[4.5]decane-6-carbaldehyde" RELATED [IUPAC] synonym: "Lubimin" EXACT [KEGG_COMPOUND] xref: CAS:35951-50-9 {source="KEGG COMPOUND"} xref: CAS:35951-50-9 {source="ChemIDplus"} xref: KEGG:C09700 xref: KNApSAcK:C00003163 xref: Reaxys:2454654 {source="Reaxys"} is_a: CHEBI:26873 ! terpenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H24O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H24O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h9,11-14,17H,1,4-8H2,2-3H3/t11-,12-,13-,14+,15+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CEVNHRPKRNTGKO-ZSAUSMIDSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "236.34990" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "236.17763" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H]1C[C@H](O)C[C@H](C=O)[C@]11CC[C@H](C1)C(C)=C" 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:27810 name: resorcinol namespace: chebi_ontology alt_id: CHEBI:26532 alt_id: CHEBI:45349 alt_id: CHEBI:8812 def: "A benzenediol that is benzene dihydroxylated at positions 1 and 3." [] subset: 3_STAR synonym: "1,3-Benzenediol" RELATED [KEGG_COMPOUND] synonym: "1,3-Dihydroxybenzene" RELATED [KEGG_COMPOUND] synonym: "1,3-Dihydroxybenzol" RELATED [ChEBI] synonym: "benzene-1,3-diol" EXACT IUPAC_NAME [IUPAC] synonym: "m-Hydroquinone" RELATED [KEGG_COMPOUND] synonym: "m-hydroxyphenol" RELATED [NIST_Chemistry_WebBook] synonym: "Resorcin" RELATED [KEGG_COMPOUND] synonym: "RESORCINOL" EXACT [PDBeChem] synonym: "Resorcinol" EXACT [KEGG_COMPOUND] synonym: "resorcinol" EXACT [UniProt] synonym: "Resorzin" RELATED [ChEBI] xref: Beilstein:906905 {source="Beilstein"} xref: CAS:108-46-3 {source="KEGG COMPOUND"} xref: CAS:108-46-3 {source="NIST Chemistry WebBook"} xref: CAS:108-46-3 {source="ChemIDplus"} xref: Drug_Central:3524 {source="DrugCentral"} xref: Gmelin:26734 {source="Gmelin"} xref: HMDB:HMDB0032037 xref: KEGG:C01751 xref: KEGG:D00133 xref: KNApSAcK:C00002671 xref: MetaCyc:CPD-623 xref: PDBeChem:RCO xref: PMID:11792395 {source="Europe PMC"} xref: PMID:23352755 {source="Europe PMC"} xref: PMID:24269627 {source="Europe PMC"} xref: PMID:29079364 {source="Europe PMC"} xref: PMID:3263257 {source="Europe PMC"} xref: Reaxys:906905 {source="Reaxys"} xref: UM-BBD_compID:c0265 {source="UM-BBD"} xref: Wikipedia:Resorcinol is_a: CHEBI:33570 ! benzenediols 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/c7-5-2-1-3-6(8)4-5/h1-4,7-8H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "GHMLBKRAJCXXBS-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 "Oc1cccc(O)c1" 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:47916 ! flavonoid 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:27867 name: antheraxanthin namespace: chebi_ontology alt_id: CHEBI:22566 alt_id: CHEBI:2749 def: "An epoxycarotenol that is beta-carotene-3,3'-diol in which one of the one of the endocyclic double bonds has been oxidised to the corresponding epoxide. It is a neutral yellow plant pigment found in Euglenophyta." [] subset: 3_STAR synonym: "(3R,3'S,5'R,6'S)-5',6'-dihydro-5',6'-epoxy-beta,beta-carotene-3,3'-diol" EXACT IUPAC_NAME [IUPAC] synonym: "5,6-epoxy-5,6-dihydro-beta,beta-carotene-3,3'-diol" RELATED [ChEBI] synonym: "all-trans-antheraxanthin" RELATED [UniProt] synonym: "Antheraxanthin" EXACT [KEGG_COMPOUND] xref: Beilstein:101042 {source="Beilstein"} xref: CAS:640-03-9 {source="KEGG COMPOUND"} xref: CAS:640-03-9 {source="ChemIDplus"} xref: HMDB:HMDB0035831 xref: KEGG:C08579 xref: KNApSAcK:C00003760 xref: LIPID_MAPS_instance:LMPR01070262 {source="LIPID MAPS"} xref: MetaCyc:CPD1F-131 xref: PMID:18942838 {source="Europe PMC"} xref: PMID:23820691 {source="Europe PMC"} xref: PMID:24039824 {source="Europe PMC"} xref: PMID:24334196 {source="Europe PMC"} xref: Reaxys:101042 {source="Reaxys"} 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 "C40H56O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OFNSUWBAQRCHAV-OYQUVCAXSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "584.87084" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "584.42295" 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/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C" xsd:string [Term] id: CHEBI:27881 name: resveratrol namespace: chebi_ontology alt_id: CHEBI:11685 alt_id: CHEBI:1366 alt_id: CHEBI:19867 def: "A stilbenol that is stilbene in which the phenyl groups are substituted at positions 3, 5, and 4' by hydroxy groups." [] subset: 3_STAR synonym: "3,4',5-Trihydroxystilbene" RELATED [KEGG_COMPOUND] synonym: "5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol" EXACT IUPAC_NAME [IUPAC] synonym: "Resveratrol" EXACT [KEGG_COMPOUND] xref: Beilstein:1912433 {source="Beilstein"} xref: CAS:501-36-0 {source="KEGG COMPOUND"} xref: DrugBank:DB02709 xref: KEGG:C03582 xref: LINCS:LSM-2557 xref: PMID:12939617 {source="Europe PMC"} xref: PMID:16461283 {source="Europe PMC"} 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 "C14H12O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LUKBXSAWLPMMSZ-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "228.24328" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "228.07864" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=C([H])c1cc(O)cc(O)c1)c1ccc(O)cc1" 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:72572 ! isoflavans 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:27949 name: (E)-sinapaldehyde namespace: chebi_ontology alt_id: CHEBI:26684 alt_id: CHEBI:9153 def: "A member of the class of cinnamaldehydes that is cinnamaldehyde substituted by a hydroxy group at position 4 and methoxy groups at positions 3 and 5." [] subset: 3_STAR synonym: "(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acrylaldehyde" RELATED [ChEBI] synonym: "(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal" EXACT IUPAC_NAME [IUPAC] synonym: "(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenal" RELATED [ChemIDplus] synonym: "(E)-sinapaldehyde" EXACT [UniProt] synonym: "(E)-sinapoyl aldehyde" RELATED [ChEBI] synonym: "Sinapaldehyde" RELATED [KEGG_COMPOUND] synonym: "Sinapoyl aldehyde" RELATED [KEGG_COMPOUND] synonym: "sinapyl aldehyde" RELATED [ChemIDplus] xref: Beilstein:2215799 {source="Beilstein"} xref: CAS:4206-58-0 {source="KEGG COMPOUND"} xref: CAS:4206-58-0 {source="ChemIDplus"} xref: KEGG:C05610 xref: KNApSAcK:C00002775 xref: MetaCyc:SINAPALDEHYDE xref: PMID:21080014 {source="Europe PMC"} xref: PMID:22034160 {source="Europe PMC"} xref: PMID:22466741 {source="Europe PMC"} xref: PMID:23561163 {source="Europe PMC"} xref: PMID:28878036 {source="Europe PMC"} xref: Reaxys:2215799 {source="Reaxys"} xref: Wikipedia:Sinapaldehyde is_a: CHEBI:33853 ! phenols property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H12O4" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CDICDSOGTRCHMG-ONEGZZNKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "208.21058" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "208.07356" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(=O)\\C=C\\c1cc(OC)c(O)c(OC)c1" 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:27961 is_a: CHEBI:26873 ! terpenoid [Term] id: CHEBI:27994 name: luteolin 7-O-beta-D-glucoside namespace: chebi_ontology alt_id: CHEBI:12251 alt_id: CHEBI:20779 alt_id: CHEBI:25089 alt_id: CHEBI:29061 alt_id: CHEBI:6582 def: "A glycosyloxyflavone that is luteolin substituted by a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage." [] subset: 3_STAR synonym: "2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside" RELATED [ChEBI] synonym: "2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one" RELATED [ChEBI] synonym: "7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "7-Glucoluteolin" RELATED [ChemIDplus] synonym: "7-Glucosylluteolin" RELATED [ChemIDplus] synonym: "7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone" RELATED [KEGG_COMPOUND] synonym: "Cinaroside" RELATED [ChemIDplus] synonym: "Cynaroside" RELATED [ChemIDplus] synonym: "Luteolin 7-glucoside" RELATED [ChemIDplus] synonym: "Luteolin 7-monoglucoside" RELATED [ChemIDplus] synonym: "Luteolin 7-O-beta-D-glucoside" EXACT [KEGG_COMPOUND] synonym: "Luteolin 7-O-glucopyranoside" RELATED [ChemIDplus] synonym: "Luteolin 7-O-glucoside" RELATED [KEGG_COMPOUND] synonym: "Luteolin-7-glucoside" RELATED [ChemIDplus] synonym: "Luteoloside" RELATED [ChemIDplus] xref: CAS:5373-11-5 {source="ChemIDplus"} xref: CAS:5373-11-5 {source="KEGG COMPOUND"} xref: HMDB:HMDB0035588 xref: KEGG:C03951 xref: KNApSAcK:C00004266 xref: LIPID_MAPS_instance:LMPK12110642 {source="LIPID MAPS"} xref: MetaCyc:LUTEOLIN-7-O-BETA-D-GLUCOSIDE xref: Patent:CN101474196 xref: Patent:US2011207684 xref: PMID:20127879 {source="Europe PMC"} xref: PMID:22741463 {source="Europe PMC"} xref: PMID:23019878 {source="Europe PMC"} xref: PMID:7875536 {source="Europe PMC"} xref: Reaxys:66982 {source="Reaxys"} xref: Wikipedia:Cynaroside is_a: CHEBI:24698 ! hydroxyflavone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H20O11" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/t16-,18-,19+,20-,21-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "PEFNSGRTCBGNAN-QNDFHXLGSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "448.37690" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "448.10056" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O" 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:38697 ! anthocyanin 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:28093 name: borneol namespace: chebi_ontology alt_id: CHEBI:22913 alt_id: CHEBI:3150 def: "A bornane monoterpenoid that is 1,7,7-trimethylbicyclo[2.2.1]heptane substituted by a hydroxy group at position 2." [] subset: 3_STAR synonym: "1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol" EXACT IUPAC_NAME [IUPAC] synonym: "Borneo camphor" RELATED [NIST_Chemistry_WebBook] synonym: "Borneol" EXACT [KEGG_COMPOUND] synonym: "borneol" EXACT [UniProt] synonym: "bornyl alcohol" RELATED [NIST_Chemistry_WebBook] synonym: "endo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol" RELATED [NIST_Chemistry_WebBook] synonym: "endo-2-bornanol" RELATED [NIST_Chemistry_WebBook] synonym: "endo-2-camphanol" RELATED [NIST_Chemistry_WebBook] synonym: "endo-2-hydroxycamphane" RELATED [NIST_Chemistry_WebBook] synonym: "Sumatra camphor" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1903042 {source="Beilstein"} xref: CAS:507-70-0 {source="NIST Chemistry WebBook"} xref: CAS:507-70-0 {source="ChemIDplus"} xref: CAS:507-70-0 {source="KEGG COMPOUND"} xref: Gmelin:185292 {source="Gmelin"} xref: KEGG:C01411 xref: KNApSAcK:C00003028 is_a: CHEBI:26873 ! terpenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C10H18O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DTGKSKDOIYIVQL-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "154.24932" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "154.13577" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC1(C)C2CCC1(C)C(O)C2" 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:28177 name: theophylline namespace: chebi_ontology alt_id: CHEBI:26940 alt_id: CHEBI:45950 alt_id: CHEBI:9523 def: "A dimethylxanthine having the two methyl groups located at positions 1 and 3. It is structurally similar to caffeine and is found in green and black tea." [] subset: 3_STAR synonym: "1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione" EXACT IUPAC_NAME [IUPAC] synonym: "1,3-dimethyl-7H-purine-2,6-dione" RELATED [IUPHAR] synonym: "1,3-Dimethylxanthine" RELATED [KEGG_COMPOUND] synonym: "Elixophyllin" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Respbid" RELATED BRAND_NAME [ChemIDplus] synonym: "Theo-Dur" RELATED BRAND_NAME [ChemIDplus] synonym: "Theolair" RELATED BRAND_NAME [KEGG_DRUG] synonym: "Theophyllin" RELATED [ChemIDplus] synonym: "THEOPHYLLINE" EXACT [PDBeChem] synonym: "Theophylline" EXACT [KEGG_COMPOUND] synonym: "theophylline" EXACT [UniProt] synonym: "theophylline" EXACT [ChEBI] synonym: "theophylline anhydrous" RELATED [ChemIDplus] synonym: "Uniphyl" RELATED BRAND_NAME [KEGG_DRUG] xref: Beilstein:13463 {source="Beilstein"} xref: CAS:58-55-9 {source="NIST Chemistry WebBook"} xref: CAS:58-55-9 {source="KEGG COMPOUND"} xref: CAS:58-55-9 {source="ChemIDplus"} xref: Drug_Central:2620 {source="DrugCentral"} xref: DrugBank:DB00277 xref: Gmelin:51226 {source="Gmelin"} xref: HMDB:HMDB0001889 xref: KEGG:C07130 xref: KEGG:D00371 xref: KNApSAcK:C00001510 xref: MetaCyc:CPD-12479 xref: PDBeChem:TEP xref: PMID:10796631 {source="Europe PMC"} xref: PMID:10836323 {source="Europe PMC"} xref: PMID:10893702 {source="Europe PMC"} xref: PMID:10921764 {source="Europe PMC"} xref: PMID:11126990 {source="Europe PMC"} xref: PMID:11170036 {source="Europe PMC"} xref: PMID:11200776 {source="Europe PMC"} xref: PMID:11261527 {source="Europe PMC"} xref: PMID:11408152 {source="Europe PMC"} xref: PMID:11826912 {source="Europe PMC"} xref: PMID:11848250 {source="Europe PMC"} xref: PMID:11941393 {source="Europe PMC"} xref: PMID:11949272 {source="Europe PMC"} xref: PMID:11950649 {source="Europe PMC"} xref: PMID:12531775 {source="Europe PMC"} xref: PMID:12836095 {source="Europe PMC"} xref: PMID:14517178 {source="Europe PMC"} xref: PMID:14713563 {source="Europe PMC"} xref: PMID:14988770 {source="Europe PMC"} xref: PMID:15005370 {source="Europe PMC"} xref: PMID:15042504 {source="Europe PMC"} xref: PMID:15202575 {source="Europe PMC"} xref: PMID:15317832 {source="Europe PMC"} xref: PMID:15356646 {source="Europe PMC"} xref: PMID:15483348 {source="Europe PMC"} xref: PMID:15739418 {source="Europe PMC"} xref: PMID:15829161 {source="Europe PMC"} xref: PMID:15902964 {source="Europe PMC"} xref: PMID:15908149 {source="Europe PMC"} xref: PMID:16083514 {source="Europe PMC"} xref: PMID:16651698 {source="Europe PMC"} xref: PMID:16930490 {source="Europe PMC"} xref: PMID:17130682 {source="Europe PMC"} xref: PMID:17207928 {source="Europe PMC"} xref: PMID:18307508 {source="Europe PMC"} xref: PMID:18800032 {source="Europe PMC"} xref: PMID:19559058 {source="Europe PMC"} xref: PMID:19727789 {source="Europe PMC"} xref: PMID:19845735 {source="Europe PMC"} xref: PMID:19888960 {source="Europe PMC"} xref: PMID:21467671 {source="Europe PMC"} xref: PMID:21796703 {source="Europe PMC"} xref: PMID:21834615 {source="Europe PMC"} xref: PMID:22377744 {source="Europe PMC"} xref: PMID:22541679 {source="Europe PMC"} xref: PMID:22541837 {source="Europe PMC"} xref: PMID:22702215 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: PMID:22771369 {source="Europe PMC"} xref: PMID:22836872 {source="Europe PMC"} xref: PMID:22909172 {source="Europe PMC"} xref: PMID:22915350 {source="Europe PMC"} xref: PMID:22981724 {source="Europe PMC"} xref: PMID:7302609 {source="Europe PMC"} xref: PMID:7389811 {source="Europe PMC"} xref: PMID:7656958 {source="Europe PMC"} xref: PMID:7767539 {source="Europe PMC"} xref: PMID:8730732 {source="Europe PMC"} xref: PMID:8960878 {source="Europe PMC"} xref: PMID:9256615 {source="Europe PMC"} xref: Reaxys:13463 {source="Reaxys"} xref: VSDB:1801 xref: Wikipedia:Theophylline 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/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "ZFXYFBGIUFBOJW-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 "Cn1c2nc[nH]c2c(=O)n(C)c1=O" xsd:string [Term] id: CHEBI:28184 name: 7-ethoxycoumarin namespace: chebi_ontology alt_id: CHEBI:20789 alt_id: CHEBI:2263 def: "A member of the class of coumarins that is umbelliferone in which the hydroxy group at position 7 is replaced by an ethoxy group." [] subset: 3_STAR synonym: "7-ethoxy-2H-1-benzopyran-2-one" RELATED [NIST_Chemistry_WebBook] synonym: "7-Ethoxycoumarin" EXACT [KEGG_COMPOUND] synonym: "Ethylumbelliferone" RELATED [NIST_Chemistry_WebBook] synonym: "herniarin" RELATED [ChEBI] xref: CAS:31005-02-4 {source="ChemIDplus"} xref: CAS:31005-02-4 {source="KEGG COMPOUND"} xref: CAS:31005-02-4 {source="NIST Chemistry WebBook"} xref: KEGG:C11052 is_a: CHEBI:26004 ! phenylpropanoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C11H10O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C11H10O3/c1-2-13-9-5-3-8-4-6-11(12)14-10(8)7-9/h3-7H,2H2,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LIFAQMGORKPVDH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "190.196" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "190.06299" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C=1C=C(C=C2C1C=CC(=O)O2)OCC" 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:28283 name: capsidiol name: capsidiol namespace: chebi_ontology alt_id: CHEBI:23001 alt_id: CHEBI:3377 def: "An eremophilane sesquiterpenoid that is (+)-5-epi-aristolochene bearing additional 1beta- and 3alpha-hydroxy substituents. It is a phytoalexin produced in Nicotiana and Capsicum plant species in response to pathogen attack." [] subset: 3_STAR synonym: "(1R,3R,4S,4aR,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene-1,3-diol" EXACT IUPAC_NAME [IUPAC] synonym: "(1R,3R,4S,4aR,6R)-6-isopropenyl-4,4a-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene-1,3-diol" RELATED [IUPAC] synonym: "1beta,3alpha,4betaH-eremophila-9,11-diene-1,3-diol" EXACT IUPAC_NAME [IUPAC] synonym: "Capsidiol" EXACT [KEGG_COMPOUND] synonym: "capsidiol" EXACT [UniProt] xref: AGR:IND22792720 {source="Europe PMC"} xref: AGR:IND43633624 {source="Europe PMC"} xref: AGR:IND44026531 {source="Europe PMC"} xref: AGR:IND44039864 {source="Europe PMC"} xref: AGR:IND82057124 {source="Europe PMC"} xref: Beilstein:2331764 {source="Beilstein"} xref: CAS:37208-05-2 {source="KEGG COMPOUND"} xref: CAS:37208-05-2 {source="ChemIDplus"} xref: FooDB:FDB014812 xref: HMDB:HMDB0002352 xref: KEGG:C09627 xref: KNApSAcK:C00003108 xref: LIPID_MAPS_instance:LMPR0103250002 {source="LIPID MAPS"} xref: MetaCyc:CPD-4661 xref: PMID:12009313 {source="Europe PMC"} xref: PMID:12135497 {source="Europe PMC"} xref: PMID:15497966 {source="Europe PMC"} xref: PMID:18066498 {source="Europe PMC"} xref: PMID:19420326 {source="Europe PMC"} xref: PMID:20822656 {source="Europe PMC"} xref: PMID:24178358 {source="Europe PMC"} xref: PMID:24367019 {source="Europe PMC"} xref: PMID:25203155 {source="Europe PMC"} xref: PMID:29929021 {source="Europe PMC"} xref: PMID:31294452 {source="Europe PMC"} xref: PMID:31864296 {source="Europe PMC"} xref: PMID:32694584 {source="Europe PMC"} xref: PMID:33124100 {source="Europe PMC"} xref: PMID:34395763 {source="Europe PMC"} xref: PMID:8316587 {source="Europe PMC"} xref: PMID:9816674 {source="Europe PMC"} xref: Wikipedia:Capsidiol is_a: CHEBI:26658 ! sesquiterpenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H24O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H24O2/c1-9(2)11-5-6-12-14(17)7-13(16)10(3)15(12,4)8-11/h6,10-11,13-14,16-17H,1,5,7-8H2,2-4H3/t10-,11-,13-,14-,15-/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "BXXSHQYDJWZXPB-OKNSCYNVSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "236.34986" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "236.17763" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H]1[C@H](O)C[C@@H](O)C2=CC[C@H](C[C@]12C)C(C)=C" xsd:string [Term] id: CHEBI:28299 name: quercetin 3-O-beta-D-glucofuranoside namespace: chebi_ontology alt_id: CHEBI:26478 alt_id: CHEBI:8702 def: "A quercetin O-glucoside in which a glucofuranosyl residue is attached at position 3 of quercetin via a beta-glycosidic linkage." [] subset: 3_STAR synonym: "2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one" RELATED [KEGG_COMPOUND] synonym: "2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl beta-D-glucofuranoside" EXACT IUPAC_NAME [IUPAC] synonym: "3,3',4',5,7-Pentahydroxyflavone 3-beta-D-glucofuranoside" RELATED [ChemIDplus] synonym: "Isoquercitrin" RELATED [KEGG_COMPOUND] synonym: "Isoquercitroside" RELATED [ChemIDplus] synonym: "Isotrifoliin" RELATED [KEGG_COMPOUND] synonym: "Quercetin 3-O-glucoside" RELATED [KEGG_COMPOUND] xref: CAS:21637-25-2 {source="KEGG COMPOUND"} xref: CAS:21637-25-2 {source="ChemIDplus"} xref: KEGG:C05623 xref: Reaxys:1444784 {source="Reaxys"} is_a: CHEBI:24698 ! hydroxyflavone 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/c22-6-12(27)19-16(29)17(30)21(32-19)33-20-15(28)14-11(26)4-8(23)5-13(14)31-18(20)7-1-2-9(24)10(25)3-7/h1-5,12,16-17,19,21-27,29-30H,6H2/t12-,16-,17-,19-,21+/m1/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "OPJZLUXFQFQYAI-GNPVFZCLSA-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 "[H][C@@]1(O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O)[C@H](O)CO" 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:28327 name: naringenin 7-O-beta-D-glucoside namespace: chebi_ontology alt_id: CHEBI:25485 alt_id: CHEBI:7484 def: "A flavanone 7-O-beta-D-glucoside that is (S)-naringenin substituted by a 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 beta-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "(2S)-naringenin 7-O-beta-D-glucoside" RELATED [UniProt] synonym: "(S)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one" RELATED [ChemIDplus] synonym: "Naringenin 7-O-beta-D-glucoside" EXACT [KEGG_COMPOUND] synonym: "Prunin" RELATED [KEGG_COMPOUND] xref: Beilstein:66743 {source="Beilstein"} xref: CAS:529-55-5 {source="ChemIDplus"} xref: CAS:529-55-5 {source="KEGG COMPOUND"} xref: KEGG:C09099 xref: KNApSAcK:C00000998 xref: PMID:1896517 {source="Europe PMC"} xref: PMID:20553344 {source="Europe PMC"} xref: PMID:21941631 {source="Europe PMC"} xref: PMID:23202537 {source="Europe PMC"} xref: PMID:23354392 {source="Europe PMC"} xref: Reaxys:66743 {source="Reaxys"} is_a: CHEBI:24698 ! hydroxyflavone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C21H22O10" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "DLIKSSGEMUFQOK-SFTVRKLSSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "434.39338" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "434.12130" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O" 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 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 [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:23042 ! carotene 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:28436 name: delphinidin namespace: chebi_ontology alt_id: CHEBI:23600 alt_id: CHEBI:4382 def: "An anthocyanidin cation consisting of benzopyrylium with hydroxy substituents at the 3-, 5- and 7-positions and a 3,4,5-trihydroxyphenyl group at the 2-position. It is a plant pigment responsible for the colours of the plants of the genera Viola and Delphinium." [] subset: 3_STAR synonym: "3,3',4',5,5',7-Hexahydroxyflavylium" RELATED [ChemIDplus] synonym: "3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium" EXACT IUPAC_NAME [IUPAC] xref: Beilstein:1691007 {source="Beilstein"} xref: CAS:13270-61-6 {source="ChemIDplus"} xref: KEGG:C05908 xref: KNApSAcK:C00020091 xref: LIPID_MAPS_instance:LMPK12010001 {source="LIPID MAPS"} xref: PMID:11906973 {source="Europe PMC"} xref: PMID:12871827 {source="Europe PMC"} xref: PMID:16902416 {source="Europe PMC"} xref: PMID:18948740 {source="Europe PMC"} xref: PMID:23129091 {source="Europe PMC"} xref: Reaxys:1691007 {source="Reaxys"} xref: Wikipedia:Delphinidin 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 "C15H11O7" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H10O7/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/h1-5H,(H5-,16,17,18,19,20,21)/p+1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "JKHRCGUTYDNCLE-UHFFFAOYSA-O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "303.24360" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "303.04993" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "Oc1cc(O)c2cc(O)c([o+]c2c1)-c1cc(O)c(O)c(O)c1" xsd:string [Term] id: CHEBI:28478 name: (2-hydroxyphenyl)acetic acid namespace: chebi_ontology alt_id: CHEBI:1169 alt_id: CHEBI:19655 def: "A hydroxy monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 2-hydroxyphenyl group. It is a metabolite of phenylalanine and is excreted in the urine of patients suffering from diseases like phenylketonuria." [] subset: 3_STAR synonym: "(2-hydroxyphenyl)acetic acid" EXACT IUPAC_NAME [IUPAC] synonym: "(o-hydroxyphenyl)acetic acid" RELATED [NIST_Chemistry_WebBook] synonym: "2'-hydroxyphenylacetic acid" RELATED [ChEBI] synonym: "2-hydroxybenzeneacetic acid" RELATED [ChemIDplus] synonym: "2-hydroxyphenylacetic acid" RELATED [ChemIDplus] synonym: "o-hydroxyphenylacetic acid" RELATED [ChemIDplus] xref: CAS:614-75-5 {source="NIST Chemistry WebBook"} xref: CAS:614-75-5 {source="ChemIDplus"} xref: CAS:614-75-5 {source="KEGG COMPOUND"} xref: HMDB:HMDB0000669 xref: KEGG:C05852 xref: PDBeChem:OHP xref: PMID:13658992 {source="Europe PMC"} xref: PMID:22770225 {source="Europe PMC"} xref: Reaxys:908000 {source="Reaxys"} is_a: CHEBI:33853 ! phenols property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H8O3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CCVYRRGZDBSHFU-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "152.14730" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "152.04734" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)Cc1ccccc1O" 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:28802 ! flavonols 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:28510 name: pelargonidin chloride namespace: chebi_ontology alt_id: CHEBI:7950 def: "An anthocyanidin chloride that has pelargonidin as the cationic counterpart." [] subset: 3_STAR synonym: "3,4',5,7-Tetrahydroxyflavylium chloride" RELATED [KEGG_COMPOUND] synonym: "3,5,7-trihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride" RELATED [ChemIDplus] synonym: "3,5,7-Trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride" RELATED [KEGG_COMPOUND] synonym: "3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromenylium chloride" EXACT IUPAC_NAME [IUPAC] synonym: "Pelargonidin" RELATED [KEGG_COMPOUND] synonym: "Pelargonidin chloride" EXACT [KEGG_COMPOUND] synonym: "Pelargonidol chloride" RELATED [KEGG_COMPOUND] xref: Beilstein:3922945 {source="Beilstein"} xref: CAS:134-04-3 {source="KEGG COMPOUND"} xref: CAS:134-04-3 {source="ChemIDplus"} xref: HMDB:HMDB0003263 xref: KEGG:C05904 xref: MetaCyc:PELARGONIDIN-CMPD xref: PMID:17579891 {source="Europe PMC"} xref: Reaxys:3922945 {source="Reaxys"} is_a: CHEBI:38695 ! anthocyanidin property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H11ClO5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H10O5.ClH/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);1H" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "YPVZJXMTXCOTJN-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "306.69754" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "306.02950" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[Cl-].Oc1ccc(cc1)-c1[o+]c2cc(O)cc(O)c2cc1O" xsd:string [Term] id: CHEBI:28527 name: rutin namespace: chebi_ontology alt_id: CHEBI:26585 alt_id: CHEBI:45398 alt_id: CHEBI:8923 def: "A rutinoside that is quercetin with the hydroxy group at position C-3 substituted with glucose and rhamnose sugar groups." [] subset: 3_STAR synonym: "2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside" EXACT IUPAC_NAME [IUPAC] synonym: "3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one" RELATED [KEGG_COMPOUND] synonym: "3-Rhamnoglucosylquercetin" RELATED [ChemIDplus] synonym: "3-Rutinosyl quercetin" RELATED [ChemIDplus] synonym: "Phytomelin" RELATED [KEGG_COMPOUND] synonym: "Quercetin 3-rutinoside" RELATED [KEGG_COMPOUND] synonym: "Quercetin-3-rutinoside" RELATED [KEGG_COMPOUND] synonym: "Rutin" EXACT [KEGG_COMPOUND] synonym: "Rutoside" RELATED [KEGG_COMPOUND] xref: Beilstein:75455 {source="Beilstein"} xref: CAS:153-18-4 {source="ChemIDplus"} xref: CAS:153-18-4 {source="KEGG COMPOUND"} xref: Drug_Central:3535 {source="DrugCentral"} xref: DrugBank:DB01698 xref: HMDB:HMDB0003249 xref: KEGG:C05625 xref: KEGG:D00190 xref: KEGG:D08499 xref: KNApSAcK:C00005413 xref: LINCS:LSM-2457 xref: MetaCyc:RUTIN xref: PDBeChem:RUT xref: PMID:14979715 {source="Europe PMC"} xref: PMID:15601236 {source="Europe PMC"} xref: PMID:20701244 {source="Europe PMC"} xref: PMID:30307940 {source="Europe PMC"} xref: PMID:31382673 {source="Europe PMC"} xref: PMID:33917795 {source="Europe PMC"} xref: Reaxys:75455 {source="Reaxys"} xref: Wikipedia:Rutin is_a: CHEBI:24698 ! hydroxyflavone property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C27H30O16" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "IKGXIBQEEMLURG-NVPNHPEKSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "610.521" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "610.15338" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=C(C(O)=CC(O)=C4)C3=O)C3=CC=C(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: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:28591 name: guaiacol namespace: chebi_ontology alt_id: CHEBI:24434 alt_id: CHEBI:5549 def: "A monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position." [] subset: 3_STAR synonym: "1-Hydroxy-2-methoxybenzene" RELATED [ChemIDplus] synonym: "2-Hydroxyanisole" RELATED [ChemIDplus] synonym: "2-methoxyphenol" EXACT IUPAC_NAME [IUPAC] synonym: "Catechol monomethyl ether" RELATED [KEGG_COMPOUND] synonym: "Guaiacol" EXACT [KEGG_COMPOUND] synonym: "guaiacol" EXACT [UniProt] synonym: "o-Methoxyphenol" RELATED [KEGG_COMPOUND] xref: CAS:90-05-1 {source="KEGG COMPOUND"} xref: CAS:90-05-1 {source="ChemIDplus"} xref: Drug_Central:1334 {source="DrugCentral"} xref: HMDB:HMDB0001398 xref: KEGG:C01502 xref: KEGG:C15572 xref: KEGG:D00117 xref: KNApSAcK:C00002654 xref: KNApSAcK:C00029459 xref: LINCS:LSM-6001 xref: MetaCyc:CPD-400 xref: Patent:RU94026717 xref: PDBeChem:JZ3 xref: PMID:22103597 {source="Europe PMC"} xref: PMID:23587706 {source="Europe PMC"} xref: PMID:24295708 {source="Europe PMC"} xref: Reaxys:508112 {source="Reaxys"} xref: Wikipedia:Guaiacol is_a: CHEBI:33853 ! phenols property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C7H8O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "LHGVFZTZFXWLCP-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "124.13722" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "124.05243" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1ccccc1O" xsd:string [Term] id: CHEBI:28600 name: farnesol name: farnesol namespace: chebi_ontology alt_id: CHEBI:24013 alt_id: CHEBI:24014 alt_id: CHEBI:4978 def: "A farnesane sesquiterpenoid that is dodeca-2,6,10-triene substituted by methyl groups at positions 3, 7 and 11 and a hydroxy group at position 1." [] subset: 3_STAR synonym: "3,7,11-trimethyl-2,6,10-dodecatrien-1-ol" RELATED [ChemIDplus] synonym: "3,7,11-trimethyl-2,6,10-dodecatrienol" RELATED [NIST_Chemistry_WebBook] synonym: "3,7,11-trimethyldodeca-2,6,10-trien-1-ol" EXACT IUPAC_NAME [IUPAC] synonym: "Farnesol" EXACT [KEGG_COMPOUND] synonym: "farnesyl alcohol" RELATED [NIST_Chemistry_WebBook] xref: Beilstein:1763926 {source="Beilstein"} xref: CAS:4602-84-0 {source="NIST Chemistry WebBook"} xref: CAS:4602-84-0 {source="ChemIDplus"} xref: CAS:4602-84-0 {source="KEGG COMPOUND"} xref: DrugBank:DB02509 xref: HMDB:HMDB0004305 xref: KEGG:C01493 xref: KNApSAcK:C00003132 xref: LINCS:LSM-5398 xref: PMID:17640272 {source="Europe PMC"} xref: PMID:19402910 {source="Europe PMC"} xref: PMID:23902158 {source="Europe PMC"} xref: PMID:24987733 {source="Europe PMC"} xref: Reaxys:1763926 {source="Reaxys"} is_a: CHEBI:26658 ! sesquiterpenoid property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C15H26O" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "CRDAMVZIKSXKFV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "222.36634" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "222.19837" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "[H]C(CO)=C(C)CCC([H])=C(C)CCC=C(C)C" 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:28620 name: licoisoflavone A namespace: chebi_ontology alt_id: CHEBI:25034 alt_id: CHEBI:6455 def: "A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by additional hydroxy groups at positions 5, 2' and 4' and a prenyl group at position 3'." [] subset: 3_STAR synonym: "2',4',5,7-Tetrahydroxy-3'-(3,3-dimethylallyl)isoflavone" RELATED [KEGG_COMPOUND] synonym: "3-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-5,7-dihydroxy-4H-chromen-4-one" EXACT IUPAC_NAME [IUPAC] synonym: "Licoisoflavone A" EXACT [KEGG_COMPOUND] synonym: "phaseoluteone" RELATED [ChEBI] xref: CAS:66056-19-7 {source="KEGG COMPOUND"} xref: HMDB:HMDB0034125 xref: KEGG:C10486 xref: KNApSAcK:C00002542 xref: LIPID_MAPS_instance:LMPK12050286 {source="LIPID MAPS"} xref: MetaCyc:CPD-6643 xref: PMID:11499034 {source="Europe PMC"} xref: PMID:11783953 {source="Europe PMC"} xref: PMID:23074904 {source="Europe PMC"} xref: Reaxys:1663610 {source="Reaxys"} 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 "C20H18O6" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C20H18O6/c1-10(2)3-4-13-15(22)6-5-12(19(13)24)14-9-26-17-8-11(21)7-16(23)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KCUZCRLRQVRBBV-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "354.35330" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "354.11034" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "CC(C)=CCc1c(O)ccc(c1O)-c1coc2cc(O)cc(O)c2c1=O" 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 ! phytosterols 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:28631 name: 3-phenylpropionic acid namespace: chebi_ontology alt_id: CHEBI:26002 alt_id: CHEBI:26005 alt_id: CHEBI:43112 alt_id: CHEBI:8103 def: "A monocarboxylic acid that is propionic acid substituted at position 3 by a phenyl group." [] subset: 3_STAR synonym: "3-Phenyl-propionic acid" RELATED [KEGG_COMPOUND] synonym: "3-Phenylpropanoic acid" RELATED [KEGG_COMPOUND] synonym: "3-phenylpropanoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "3-phenylpropionic acid" EXACT [KEGG_COMPOUND] synonym: "3-phenylpropionic acid" EXACT [ChemIDplus] synonym: "3-Phenylpropionsaeure" RELATED [ChEBI] synonym: "3PP" RELATED [DrugBank] synonym: "benzenepropanoic acid" RELATED [ChemIDplus] synonym: "benzenepropionic acid" RELATED [NIST_Chemistry_WebBook] synonym: "benzylacetic acid" RELATED [ChemIDplus] synonym: "beta-phenylpropionic acid" RELATED [NIST_Chemistry_WebBook] synonym: "dihydrocinnamic acid" RELATED [NIST_Chemistry_WebBook] synonym: "HYDROCINNAMIC ACID" RELATED [PDBeChem] synonym: "Hydrozimtsaeure" RELATED [ChEBI] synonym: "Phenylpropanoate" RELATED [KEGG_COMPOUND] xref: Beilstein:907515 {source="Beilstein"} xref: CAS:501-52-0 {source="ChemIDplus"} xref: CAS:501-52-0 {source="NIST Chemistry WebBook"} xref: CAS:501-52-0 {source="KEGG COMPOUND"} xref: DrugBank:DB02024 xref: ECMDB:ECMDB00764 xref: Gmelin:102198 {source="Gmelin"} xref: HMDB:HMDB0000764 xref: KEGG:C05629 xref: MetaCyc:3-PHENYLPROPIONATE xref: PDBeChem:HCI xref: PMID:18062653 {source="Europe PMC"} xref: PMID:20972783 {source="Europe PMC"} xref: PMID:23470767 {source="Europe PMC"} xref: PMID:24216280 {source="Europe PMC"} xref: Reaxys:907515 {source="Reaxys"} xref: Wikipedia:Phenylpropanoic_acid is_a: CHEBI:18135 ! catechol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C9H10O2" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "XMIIGOLPHOKFCH-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "150.17450" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "150.06808" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "OC(=O)CCc1ccccc1" xsd:string [Term] id: CHEBI:28647 name: 3-O-methylgallic acid namespace: chebi_ontology alt_id: CHEBI:1615 def: "A member of the class of benzoic acids that is gallic acid in which the phenolic hydroxy group at position 3 is converted into the corresponding methyl ether." [] subset: 3_STAR synonym: "3,4-dihydroxy-5-methoxybenzoic acid" EXACT IUPAC_NAME [IUPAC] synonym: "3-O-Methylgallic acid" EXACT [KEGG_COMPOUND] synonym: "4,5-Dihydroxy-m-anisic acid" RELATED [ChemIDplus] synonym: "gallic acid 3-methyl ether" RELATED [ChEBI] xref: Beilstein:2695762 {source="Beilstein"} xref: CAS:3934-84-7 {source="ChemIDplus"} xref: KEGG:C05616 xref: Reaxys:2695762 {source="Reaxys"} is_a: CHEBI:18135 ! catechol property_value: http://purl.obolibrary.org/obo/chebi/charge "0" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/formula "C8H8O5" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchi "InChI=1S/C8H8O5/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,9-10H,1H3,(H,11,12)" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/inchikey "KWCCUYSXAYTNKA-UHFFFAOYSA-N" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/mass "184.14612" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/monoisotopicmass "184.03717" xsd:string property_value: http://purl.obolibrary.org/obo/chebi/smiles "COc1cc(cc(O)c1O)C(O)=O" xsd:string [Term] id: CHEBI:28661 name: gamma-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-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 ! omega-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:28412 ! eriodictyol 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-,2