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. Compositional Dietary Nutrition Ontology editor note term replaced by Use on obsolete terms, relating the term to another term that can be used as a substitute Person:Alan Ruttenberg Person:Alan Ruttenberg Add as annotation triples in the granting ontology term replaced by term replaced by If R <- P o Q is a defining property chain axiom, then it also holds that R -> P o Q. Note that this cannot be expressed directly in OWL is a defining property chain axiom If R <- P o Q is a defining property chain axiom, then (1) R -> P o Q holds and (2) Q is either reflexive or locally reflexive. A corollary of this is that P SubPropertyOf R. is a defining property chain axiom where second argument is reflexive is part of my brain is part of my body (continuant parthood, two material entities) my stomach cavity is part of my stomach (continuant parthood, immaterial entity is part of material entity) this day is part of this year (occurrent parthood) a core relation that holds between a part and its whole Everything is part of itself. Any part of any part of a thing is itself part of that thing. Two distinct things cannot be part of each other. Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/ Parthood requires the part and the whole to have compatible classes: only an occurrent can be part of an occurrent; only a process can be part of a process; only a continuant can be part of a continuant; only an independent continuant can be part of an independent continuant; only an immaterial entity can be part of an immaterial entity; only a specifically dependent continuant can be part of a specifically dependent continuant; only a generically dependent continuant can be part of a generically dependent continuant. (This list is not exhaustive.) A continuant cannot be part of an occurrent: use 'participates in'. An occurrent cannot be part of a continuant: use 'has participant'. A material entity cannot be part of an immaterial entity: use 'has location'. A specifically dependent continuant cannot be part of an independent continuant: use 'inheres in'. An independent continuant cannot be part of a specifically dependent continuant: use 'bearer of'. part_of part of http://www.obofoundry.org/ro/#OBO_REL:part_of https://wiki.geneontology.org/Part_of has part my body has part my brain (continuant parthood, two material entities) my stomach has part my stomach cavity (continuant parthood, material entity has part immaterial entity) this year has part this day (occurrent parthood) a core relation that holds between a whole and its part Everything has itself as a part. Any part of any part of a thing is itself part of that thing. Two distinct things cannot have each other as a part. Occurrents are not subject to change and so parthood between occurrents holds for all the times that the part exists. Many continuants are subject to change, so parthood between continuants will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/ Parthood requires the part and the whole to have compatible classes: only an occurrent have an occurrent as part; only a process can have a process as part; only a continuant can have a continuant as part; only an independent continuant can have an independent continuant as part; only a specifically dependent continuant can have a specifically dependent continuant as part; only a generically dependent continuant can have a generically dependent continuant as part. (This list is not exhaustive.) A continuant cannot have an occurrent as part: use 'participates in'. An occurrent cannot have a continuant as part: use 'has participant'. An immaterial entity cannot have a material entity as part: use 'location of'. An independent continuant cannot have a specifically dependent continuant as part: use 'bearer of'. A specifically dependent continuant cannot have an independent continuant as part: use 'inheres in'. has_part BFO:0000051 chebi_ontology has_part false has part has part preceded by x is preceded by y if and only if the time point at which y ends is before or equivalent to the time point at which x starts. Formally: x preceded by y iff ω(y) <= α(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point. An example is: translation preceded_by transcription; aging preceded_by development (not however death preceded_by aging). Where derives_from links classes of continuants, preceded_by links classes of processes. Clearly, however, these two relations are not independent of each other. Thus if cells of type C1 derive_from cells of type C, then any cell division involving an instance of C1 in a given lineage is preceded_by cellular processes involving an instance of C. The assertion P preceded_by P1 tells us something about Ps in general: that is, it tells us something about what happened earlier, given what we know about what happened later. Thus it does not provide information pointing in the opposite direction, concerning instances of P1 in general; that is, that each is such as to be succeeded by some instance of P. Note that an assertion to the effect that P preceded_by P1 is rather weak; it tells us little about the relations between the underlying instances in virtue of which the preceded_by relation obtains. Typically we will be interested in stronger relations, for example in the relation immediately_preceded_by, or in relations which combine preceded_by with a condition to the effect that the corresponding instances of P and P1 share participants, or that their participants are connected by relations of derivation, or (as a first step along the road to a treatment of causality) that the one process in some way affects (for example, initiates or regulates) the other. is preceded by preceded_by http://www.obofoundry.org/ro/#OBO_REL:preceded_by preceded by precedes x precedes y if and only if the time point at which x ends is before or equivalent to the time point at which y starts. Formally: x precedes y iff ω(x) <= α(y), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point. precedes occurs in b occurs_in c =def b is a process and c is a material entity or immaterial entity& there exists a spatiotemporal region r and b occupies_spatiotemporal_region r.& forall(t) if b exists_at t then c exists_at t & there exist spatial regions s and s’ where & b spatially_projects_onto s at t& c is occupies_spatial_region s’ at t& s is a proper_continuant_part_of s’ at t occurs_in unfolds in unfolds_in Paraphrase of definition: a relation between a process and an independent continuant, in which the process takes place entirely within the independent continuant occurs in https://wiki.geneontology.org/Occurs_in site of [copied from inverse property 'occurs in'] b occurs_in c =def b is a process and c is a material entity or immaterial entity& there exists a spatiotemporal region r and b occupies_spatiotemporal_region r.& forall(t) if b exists_at t then c exists_at t & there exist spatial regions s and s’ where & b spatially_projects_onto s at t& c is occupies_spatial_region s’ at t& s is a proper_continuant_part_of s’ at t Paraphrase of definition: a relation between an independent continuant and a process, in which the process takes place entirely within the independent continuant contains process A duck swimming in a pond is partially surrounded by air and partially surrounded by water. x partially_surrounded_by y if and only if (1) x is adjacent to y and for the region r that is adjacent to x, r partially overlaps y (2) the shared boundary between x and y occupies a non-trivial proportion of the outermost boundary of x Definition modified from 'surrounded by'. partially_surrounded_by A relation between two distinct material entities, the new entity and the old entity, in which the new entity begins to exist through the separation or transformation of a part of the old entity, and the new entity inherits a significant portion of the matter belonging to that part of the old entity. derives from part of A has part relationship between a whole and a part, where the number of parts present in the whole is higher than in comparable entities. This relation is present in ENVO to support compositional classes such as "X-enriched soil". These will later be formalized, and a different relation from RO may be chosen. has increased levels of inheres in this fragility is a characteristic of this vase this red color is a characteristic of this apple a relation between a specifically dependent continuant (the characteristic) and any other entity (the bearer), in which the characteristic depends on the bearer for its existence. inheres_in Note that this relation was previously called "inheres in", but was changed to be called "characteristic of" because BFO2 uses "inheres in" in a more restricted fashion. This relation differs from BFO2:inheres_in in two respects: (1) it does not impose a range constraint, and thus it allows qualities of processes, as well as of information entities, whereas BFO2 restricts inheres_in to only apply to independent continuants (2) it is declared functional, i.e. something can only be a characteristic of one thing. characteristic of bearer of this apple is bearer of this red color this vase is bearer of this fragility Inverse of characteristic_of A bearer can have many dependents, and its dependents can exist for different periods of time, but none of its dependents can exist when the bearer does not exist. bearer_of is bearer of has characteristic participates in this blood clot participates in this blood coagulation this input material (or this output material) participates in this process this investigator participates in this investigation a relation between a continuant and a process, in which the continuant is somehow involved in the process participates_in participates in has participant this blood coagulation has participant this blood clot this investigation has participant this investigator this process has participant this input material (or this output material) a relation between a process and a continuant, in which the continuant is somehow involved in the process Has_participant is a primitive instance-level relation between a process, a continuant, and a time at which the continuant participates in some way in the process. The relation obtains, for example, when this particular process of oxygen exchange across this particular alveolar membrane has_participant this particular sample of hemoglobin at this particular time. has_participant http://www.obofoundry.org/ro/#OBO_REL:has_participant has participant this catalysis function is a function of this enzyme a relation between a function and an independent continuant (the bearer), in which the function specifically depends on the bearer for its existence A function inheres in its bearer at all times for which the function exists, however the function need not be realized at all the times that the function exists. function_of is function of This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. function of this red color is a quality of this apple a relation between a quality and an independent continuant (the bearer), in which the quality specifically depends on the bearer for its existence A quality inheres in its bearer at all times for which the quality exists. is quality of quality_of This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. quality of this investigator role is a role of this person a relation between a role and an independent continuant (the bearer), in which the role specifically depends on the bearer for its existence A role inheres in its bearer at all times for which the role exists, however the role need not be realized at all the times that the role exists. is role of role_of This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. role of this enzyme has function this catalysis function (more colloquially: this enzyme has this catalysis function) a relation between an independent continuant (the bearer) and a function, in which the function specifically depends on the bearer for its existence A bearer can have many functions, and its functions can exist for different periods of time, but none of its functions can exist when the bearer does not exist. A function need not be realized at all the times that the function exists. has_function has function this apple has quality this red color a relation between an independent continuant (the bearer) and a quality, in which the quality specifically depends on the bearer for its existence A bearer can have many qualities, and its qualities can exist for different periods of time, but none of its qualities can exist when the bearer does not exist. has_quality has quality this person has role this investigator role (more colloquially: this person has this role of investigator) a relation between an independent continuant (the bearer) and a role, in which the role specifically depends on the bearer for its existence A bearer can have many roles, and its roles can exist for different periods of time, but none of its roles can exist when the bearer does not exist. A role need not be realized at all the times that the role exists. has_role RO:0000087 chebi_ontology has_role false false has role has role a relation between an independent continuant (the bearer) and a disposition, in which the disposition specifically depends on the bearer for its existence has disposition inverse of has disposition This relation is modeled after the BFO relation of the same name which was in BFO2, but is used in a more restricted sense - specifically, we model this relation as functional (inherited from characteristic-of). Note that this relation is now removed from BFO2020. disposition of this cell derives from this parent cell (cell division) this nucleus derives from this parent nucleus (nuclear division) a relation between two distinct material entities, the new entity and the old entity, in which the new entity begins to exist when the old entity ceases to exist, and the new entity inherits the significant portion of the matter of the old entity This is a very general relation. More specific relations are preferred when applicable, such as 'directly develops from'. derives_from This relation is taken from the RO2005 version of RO. It may be obsoleted and replaced by relations with different definitions. See also the 'develops from' family of relations. derives from this parent cell derives into this cell (cell division) this parent nucleus derives into this nucleus (nuclear division) a relation between two distinct material entities, the old entity and the new entity, in which the new entity begins to exist when the old entity ceases to exist, and the new entity inherits the significant portion of the matter of the old entity This is a very general relation. More specific relations are preferred when applicable, such as 'directly develops into'. To avoid making statements about a future that may not come to pass, it is often better to use the backward-looking 'derives from' rather than the forward-looking 'derives into'. derives_into derives into is location of my head is the location of my brain this cage is the location of this rat a relation between two independent continuants, the location and the target, in which the target is entirely within the location Most location relations will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/ location_of location of located in my brain is located in my head this rat is located in this cage a relation between two independent continuants, the target and the location, in which the target is entirely within the location Location as a relation between instances: The primitive instance-level relation c located_in r at t reflects the fact that each continuant is at any given time associated with exactly one spatial region, namely its exact location. Following we can use this relation to define a further instance-level location relation - not between a continuant and the region which it exactly occupies, but rather between one continuant and another. c is located in c1, in this sense, whenever the spatial region occupied by c is part_of the spatial region occupied by c1. Note that this relation comprehends both the relation of exact location between one continuant and another which obtains when r and r1 are identical (for example, when a portion of fluid exactly fills a cavity), as well as those sorts of inexact location relations which obtain, for example, between brain and head or between ovum and uterus Most location relations will only hold at certain times, but this is difficult to specify in OWL. See http://purl.obolibrary.org/obo/ro/docs/temporal-semantics/ located_in http://www.obofoundry.org/ro/#OBO_REL:located_in located in https://wiki.geneontology.org/Located_in X outer_layer_of Y iff: . X :continuant that bearer_of some PATO:laminar . X part_of Y . exists Z :surface . X has_boundary Z . Z boundary_of Y has_boundary: http://purl.obolibrary.org/obo/RO_0002002 boundary_of: http://purl.obolibrary.org/obo/RO_0002000 A relationship that applies between a continuant and its outer, bounding layer. Examples include the relationship between a multicellular organism and its integument, between an animal cell and its plasma membrane, and between a membrane bound organelle and its outer/bounding membrane. bounding layer of A 'has regulatory component activity' B if A and B are GO molecular functions (GO_0003674), A has_component B and A is regulated by B. 2017-05-24T09:30:46Z has regulatory component activity A relationship that holds between a GO molecular function and a component of that molecular function that negatively regulates the activity of the whole. More formally, A 'has regulatory component activity' B iff :A and B are GO molecular functions (GO_0003674), A has_component B and A is negatively regulated by B. 2017-05-24T09:31:01Z By convention GO molecular functions are classified by their effector function. Internal regulatory functions are treated as components. For example, NMDA glutmate receptor activity is a cation channel activity with positive regulatory component 'glutamate binding' and negative regulatory components including 'zinc binding' and 'magnesium binding'. has negative regulatory component activity A relationship that holds between a GO molecular function and a component of that molecular function that positively regulates the activity of the whole. More formally, A 'has regulatory component activity' B iff :A and B are GO molecular functions (GO_0003674), A has_component B and A is positively regulated by B. 2017-05-24T09:31:17Z By convention GO molecular functions are classified by their effector function and internal regulatory functions are treated as components. So, for example calmodulin has a protein binding activity that has positive regulatory component activity calcium binding activity. Receptor tyrosine kinase activity is a tyrosine kinase activity that has positive regulatory component 'ligand binding'. has positive regulatory component activity 2017-05-24T09:44:33Z A 'has component activity' B if A is A and B are molecular functions (GO_0003674) and A has_component B. has component activity w 'has process component' p if p and w are processes, w 'has part' p and w is such that it can be directly disassembled into into n parts p, p2, p3, ..., pn, where these parts are of similar type. 2017-05-24T09:49:21Z has component process 2017-09-17T13:52:24Z Process(P2) is directly regulated by process(P1) iff: P1 regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding regulates the kinase activity (P2) of protein B then P1 directly regulates P2. directly regulated by Process(P2) is directly regulated by process(P1) iff: P1 regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding regulates the kinase activity (P2) of protein B then P1 directly regulates P2. Process(P2) is directly negatively regulated by process(P1) iff: P1 negatively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding negatively regulates the kinase activity (P2) of protein B then P2 directly negatively regulated by P1. 2017-09-17T13:52:38Z directly negatively regulated by Process(P2) is directly negatively regulated by process(P1) iff: P1 negatively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding negatively regulates the kinase activity (P2) of protein B then P2 directly negatively regulated by P1. Process(P2) is directly postively regulated by process(P1) iff: P1 positively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding positively regulates the kinase activity (P2) of protein B then P2 is directly postively regulated by P1. 2017-09-17T13:52:47Z directly positively regulated by Process(P2) is directly postively regulated by process(P1) iff: P1 positively regulates P2 via direct physical interaction between an agent executing P1 (or some part of P1) and an agent executing P2 (or some part of P2). For example, if protein A has protein binding activity(P1) that targets protein B and this binding positively regulates the kinase activity (P2) of protein B then P2 is directly postively regulated by P1. A 'has effector activity' B if A and B are GO molecular functions (GO_0003674), A 'has component activity' B and B is the effector (output function) of B. Each compound function has only one effector activity. 2017-09-22T14:14:36Z This relation is designed for constructing compound molecular functions, typically in combination with one or more regulatory component activity relations. has effector activity A 'has effector activity' B if A and B are GO molecular functions (GO_0003674), A 'has component activity' B and B is the effector (output function) of B. Each compound function has only one effector activity. Previously had ID http://purl.obolibrary.org/obo/RO_0002122 in test files in sandpit - but this seems to have been dropped from ro-edit.owl at some point. No re-use under this ID AFAIK, but leaving note here in case we run in to clashes down the line. Official ID now chosen from DOS ID range. during which ends X ends_after Y iff: end(Y) before_or_simultaneous_with end(X) ends after starts_at_end_of X immediately_preceded_by Y iff: end(X) simultaneous_with start(Y) immediately preceded by ends_at_start_of meets X immediately_precedes_Y iff: end(X) simultaneous_with start(Y) immediately precedes o overlaps X ends_during Y iff: ((start(Y) before_or_simultaneous_with end(X)) AND end(X) before_or_simultaneous_with end(Y). ends during x overlaps y if and only if there exists some z such that x has part z and z part of y http://purl.obolibrary.org/obo/BFO_0000051 some (http://purl.obolibrary.org/obo/BFO_0000050 some ?Y) overlaps true A is spatially_disjoint_from B if and only if they have no parts in common There are two ways to encode this as a shortcut relation. The other possibility to use an annotation assertion between two classes, and expand this to a disjointness axiom. Note that it would be possible to use the relation to label the relationship between a near infinite number of structures - between the rings of saturn and my left earlobe. The intent is that this is used for parsiomoniously for disambiguation purposes - for example, between siblings in a jointly exhaustive pairwise disjointness hierarchy BFO_0000051 exactly 0 (BFO_0000050 some ?Y) spatially disjoint from https://github.com/obophenotype/uberon/wiki/Part-disjointness-Design-Pattern w 'has component' p if w 'has part' p and w is such that it can be directly disassembled into into n parts p, p2, p3, ..., pn, where these parts are of similar type. The definition of 'has component' is still under discussion. The challenge is in providing a definition that does not imply transitivity. For use in recording has_part with a cardinality constraint, because OWL does not permit cardinality constraints to be used in combination with transitive object properties. In situations where you would want to say something like 'has part exactly 5 digit, you would instead use has_component exactly 5 digit. has component x develops from y if and only if either (a) x directly develops from y or (b) there exists some z such that x directly develops from z and z develops from y This is the transitive form of the develops from relation develops from inverse of develops from develops into Candidate definition: x directly_develops from y if and only if there exists some developmental process (GO:0032502) p such that x and y both participate in p, and x is the output of p and y is the input of p, and a substantial portion of the matter of x comes from y, and the start of x is coincident with or after the end of y. FBbt has developmental precursor TODO - add child relations from DOS directly develops from inverse of directly develops from developmental precursor of directly develops into p regulates q iff p is causally upstream of q, the execution of p is not constant and varies according to specific conditions, and p influences the rate or magnitude of execution of q due to an effect either on some enabler of q or some enabler of a part of q. GO Regulation precludes parthood; the regulatory process may not be within the regulated process. regulates (processual) false regulates p negatively regulates q iff p regulates q, and p decreases the rate or magnitude of execution of q. negatively regulates (process to process) negatively regulates p positively regulates q iff p regulates q, and p increases the rate or magnitude of execution of q. positively regulates (process to process) positively regulates mechanosensory neuron capable of detection of mechanical stimulus involved in sensory perception (GO:0050974) osteoclast SubClassOf 'capable of' some 'bone resorption' A relation between a material entity (such as a cell) and a process, in which the material entity has the ability to carry out the process. has function realized in For compatibility with BFO, this relation has a shortcut definition in which the expression "capable of some P" expands to "bearer_of (some realized_by only P)". capable of c stands in this relationship to p if and only if there exists some p' such that c is capable_of p', and p' is part_of p. has function in capable of part of true x surrounded_by y if and only if (1) x is adjacent to y and for every region r that is adjacent to x, r overlaps y (2) the shared boundary between x and y occupies the majority of the outermost boundary of x surrounded by surrounded by A caterpillar walking on the surface of a leaf is adjacent_to the leaf, if one of the caterpillar appendages is touching the leaf. In contrast, a butterfly flying close to a flower is not considered adjacent, unless there are any touching parts. The epidermis layer of a vertebrate is adjacent to the dermis. The plasma membrane of a cell is adjacent to the cytoplasm, and also to the cell lumen which the cytoplasm occupies. The skin of the forelimb is adjacent to the skin of the torso if these are considered anatomical subdivisions with a defined border. Otherwise a relation such as continuous_with would be used. x adjacent to y if and only if x and y share a boundary. This relation acts as a join point with BSPO adjacent to A caterpillar walking on the surface of a leaf is adjacent_to the leaf, if one of the caterpillar appendages is touching the leaf. In contrast, a butterfly flying close to a flower is not considered adjacent, unless there are any touching parts. inverse of surrounded by surrounds Do not use this relation directly. It is ended as a grouping for relations between occurrents involving the relative timing of their starts and ends. https://docs.google.com/document/d/1kBv1ep_9g3sTR-SD3jqzFqhuwo9TPNF-l-9fUDbO6rM/edit?pli=1 A relation that holds between two occurrents. This is a grouping relation that collects together all the Allen relations. temporally related to x develops from part of y if and only if there exists some z such that x develops from z and z is part of y develops from part of x develops_in y if x is located in y whilst x is developing EHDAA2 Jonathan Bard, EHDAA2 develops in inverse of ends with ends x ends with y if and only if x has part y and the time point at which x ends is equivalent to the time point at which y ends. Formally: α(y) > α(x) ∧ ω(y) = ω(x), where α is a function that maps a process to a start point, and ω is a function that maps a process to an end point. finished by ends with x 'has end location' y if and only if there exists some process z such that x 'ends with' z and z 'occurs in' y ends with process that occurs in has end location p has input c iff: p is a process, c is a material entity, c is a participant in p, c is present at the start of p, and the state of c is modified during p. consumes has input https://wiki.geneontology.org/Has_input p has output c iff c is a participant in p, c is present at the end of p, and c is not present in the same state at the beginning of p. produces has output https://wiki.geneontology.org/Has_output Mammalian thymus has developmental contribution from some pharyngeal pouch 3; Mammalian thymus has developmental contribution from some pharyngeal pouch 4 [Kardong] x has developmental contribution from y iff x has some part z such that z develops from y has developmental contribution from inverse of has developmental contribution from developmentally contributes to Candidate definition: x developmentally related to y if and only if there exists some developmental process (GO:0032502) p such that x and y both participates in p, and x is the output of p and y is the input of p false In general you should not use this relation to make assertions - use one of the more specific relations below this one This relation groups together various other developmental relations. It is fairly generic, encompassing induction, developmental contribution and direct and transitive develops from developmentally preceded by A faulty traffic light (material entity) whose malfunctioning (a process) is causally upstream of a traffic collision (a process): the traffic light acts upstream of the collision. c acts upstream of p if and only if c enables some f that is involved in p' and p' occurs chronologically before p, is not part of p, and affects the execution of p. c is a material entity and f, p, p' are processes. acts upstream of A gene product that has some activity, where that activity may be a part of a pathway or upstream of the pathway. c acts upstream of or within p if c is enables f, and f is causally upstream of or within p. c is a material entity and p is an process. affects acts upstream of or within https://wiki.geneontology.org/Acts_upstream_of_or_within Inverse of developmentally preceded by developmentally succeeded by 'hypopharyngeal eminence' SubClassOf 'part of precursor of' some tongue part of developmental precursor of p results in the developmental progression of s iff p is a developmental process and s is an anatomical entity and p causes s to undergo a change in state at some point along its natural developmental cycle (this cycle starts with its formation, through the mature structure, and ends with its loss). This property and its subproperties are being used primarily for the definition of GO developmental processes. The property hierarchy mirrors the core GO hierarchy. In future we may be able to make do with a more minimal set of properties, but due to the way GO is currently structured we require highly specific relations to avoid incorrect entailments. To avoid this, the corresponding genus terms in GO should be declared mutually disjoint. results in developmental progression of an annotation of gene X to anatomical structure formation with results_in_formation_of UBERON:0000007 (pituitary gland) means that at the beginning of the process a pituitary gland does not exist and at the end of the process a pituitary gland exists. every "endocardial cushion formation" (GO:0003272) results_in_formation_of some "endocardial cushion" (UBERON:0002062) GOC:mtg_berkeley_2013 results in formation of anatomical entity p is causally upstream of, positive effect q iff p is casually upstream of q, and the execution of p is required for the execution of q. holds between x and y if and only if x is causally upstream of y and the progression of x increases the frequency, rate or extent of y causally upstream of, positive effect p is causally upstream of, negative effect q iff p is casually upstream of q, and the execution of p decreases the execution of q. causally upstream of, negative effect q characteristic of part of w if and only if there exists some p such that q inheres in p and p part of w. Because part_of is transitive, inheres in is a sub-relation of characteristic of part of inheres in part of characteristic of part of true A mereological relationship or a topological relationship Do not use this relation directly. It is ended as a grouping for a diverse set of relations, all involving parthood or connectivity relationships mereotopologically related to A relationship that holds between entities participating in some developmental process (GO:0032502) Do not use this relation directly. It is ended as a grouping for a diverse set of relations, all involving organismal development developmentally related to a particular instances of akt-2 enables some instance of protein kinase activity c enables p iff c is capable of p and c acts to execute p. catalyzes executes has is catalyzing is executing This relation differs from the parent relation 'capable of' in that the parent is weaker and only expresses a capability that may not be actually realized, whereas this relation is always realized. enables https://wiki.geneontology.org/Enables A grouping relationship for any relationship directly involving a function, or that holds because of a function of one of the related entities. This is a grouping relation that collects relations used for the purpose of connecting structure and function functionally related to this relation holds between c and p when c is part of some c', and c' is capable of p. false part of structure that is capable of true c involved_in p if and only if c enables some process p', and p' is part of p actively involved in enables part of involved in https://wiki.geneontology.org/Involved_in inverse of enables enabled by https://wiki.geneontology.org/Enabled_by inverse of regulates regulated by (processual) regulated by inverse of negatively regulates negatively regulated by inverse of positively regulates positively regulated by An organism that is a member of a population of organisms is member of is a mereological relation between a item and a collection. is member of member part of SIO member of has member is a mereological relation between a collection and an item. SIO has member inverse of has input input of inverse of has output output of formed as result of A lump of clay and a statue x spatially_coextensive_with y if and inly if x and y have the same location This relation is added for formal completeness. It is unlikely to be used in many practical scenarios spatially coextensive with x has developmental potential involving y iff x is capable of a developmental process with output y. y may be the successor of x, or may be a different structure in the vicinity (as for example in the case of developmental induction). has developmental potential involving x has potential to developmentrally contribute to y iff x developmentally contributes to y or x is capable of developmentally contributing to y has potential to developmentally contribute to x has the potential to develop into y iff x develops into y or if x is capable of developing into y This relation has a stronger meaning than merely indicating that X may develop into Y, in that the capability of developing into Y is always present, even if X does not always actually develop into Y. In particular, this means that if Y is restricted to a given taxon T, X is necessarily likewise restricted. has potential to develop into x has potential to directly develop into y iff x directly develops into y or x is capable of directly developing into y has potential to directly develop into inverse of upstream of causally downstream of immediately causally downstream of p indirectly positively regulates q iff p is indirectly causally upstream of q and p positively regulates q. indirectly activates indirectly positively regulates https://wiki.geneontology.org/Indirectly_positively_regulates p indirectly negatively regulates q iff p is indirectly causally upstream of q and p negatively regulates q. indirectly inhibits indirectly negatively regulates https://wiki.geneontology.org/Indirectly_negatively_regulates relation that links two events, processes, states, or objects such that one event, process, state, or object (a cause) contributes to the production of another event, process, state, or object (an effect) where the cause is partly or wholly responsible for the effect, and the effect is partly or wholly dependent on the cause. This branch of the ontology deals with causal relations between entities. It is divided into two branches: causal relations between occurrents/processes, and causal relations between material entities. We take an 'activity flow-centric approach', with the former as primary, and define causal relations between material entities in terms of causal relations between occurrents. To define causal relations in an activity-flow type network, we make use of 3 primitives: * Temporal: how do the intervals of the two occurrents relate? * Is the causal relation regulatory? * Is the influence positive or negative? The first of these can be formalized in terms of the Allen Interval Algebra. Informally, the 3 bins we care about are 'direct', 'indirect' or overlapping. Note that all causal relations should be classified under a RO temporal relation (see the branch under 'temporally related to'). Note that all causal relations are temporal, but not all temporal relations are causal. Two occurrents can be related in time without being causally connected. We take causal influence to be primitive, elucidated as being such that has the upstream changed, some qualities of the donwstream would necessarily be modified. For the second, we consider a relationship to be regulatory if the system in which the activities occur is capable of altering the relationship to achieve some objective. This could include changing the rate of production of a molecule. For the third, we consider the effect of the upstream process on the output(s) of the downstream process. If the level of output is increased, or the rate of production of the output is increased, then the direction is increased. Direction can be positive, negative or neutral or capable of either direction. Two positives in succession yield a positive, two negatives in succession yield a positive, otherwise the default assumption is that the net effect is canceled and the influence is neutral. Each of these 3 primitives can be composed to yield a cross-product of different relation types. Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect. causally related to relation that links two events, processes, states, or objects such that one event, process, state, or object (a cause) contributes to the production of another event, process, state, or object (an effect) where the cause is partly or wholly responsible for the effect, and the effect is partly or wholly dependent on the cause. https://en.wikipedia.org/wiki/Causality p is causally upstream of q iff p is causally related to q, the end of p precedes the end of q, and p is not an occurrent part of q. causally upstream of p is immediately causally upstream of q iff p is causally upstream of q, and the end of p is coincident with the beginning of q. immediately causally upstream of p provides input for q iff p is immediately causally upstream of q, and there exists some c such that p has_output c and q has_input c. directly provides input for directly provides input for (process to process) provides input for https://wiki.geneontology.org/Provides_input_for transitive form of directly_provides_input_for This is a grouping relation that should probably not be used in annotation. Consider instead the child relation 'provides input for'. transitively provides input for (process to process) transitively provides input for p is 'causally upstream or within' q iff p is causally related to q, and the end of p precedes, or is coincident with, the end of q. We would like to make this disjoint with 'preceded by', but this is prohibited in OWL2 influences (processual) affects causally upstream of or within inverse of causally upstream of or within causally downstream of or within c involved in regulation of p if c is involved in some p' and p' regulates some p involved in regulation of c involved in regulation of p if c is involved in some p' and p' positively regulates some p involved in positive regulation of c involved in regulation of p if c is involved in some p' and p' negatively regulates some p involved in negative regulation of c involved in or regulates p if and only if either (i) c is involved in p or (ii) c is involved in regulation of p OWL does not allow defining object properties via a Union involved in or reguates involved in or involved in regulation of A relationship that holds between two entities in which the processes executed by the two entities are causally connected. This relation and all sub-relations can be applied to either (1) pairs of entities that are interacting at any moment of time (2) populations or species of entity whose members have the disposition to interact (3) classes whose members have the disposition to interact. Considering relabeling as 'pairwise interacts with' Note that this relationship type, and sub-relationship types may be redundant with process terms from other ontologies. For example, the symbiotic relationship hierarchy parallels GO. The relations are provided as a convenient shortcut. Consider using the more expressive processual form to capture your data. In the future, these relations will be linked to their cognate processes through rules. in pairwise interaction with interacts with http://purl.obolibrary.org/obo/ro/docs/interaction-relations/ http://purl.obolibrary.org/obo/MI_0914 An interaction relationship in which the two partners are molecular entities that directly physically interact with each other for example via a stable binding interaction or a brief interaction during which one modifies the other. binds molecularly binds with molecularly interacts with http://purl.obolibrary.org/obo/MI_0915 Axiomatization to GO to be added later An interaction relation between x and y in which x catalyzes a reaction in which a phosphate group is added to y. phosphorylates The entity A, immediately upstream of the entity B, has an activity that regulates an activity performed by B. For example, A and B may be gene products and binding of B by A regulates the kinase activity of B. A and B can be physically interacting but not necessarily. Immediately upstream means there are no intermediate entity between A and B. molecularly controls directly regulates activity of The entity A, immediately upstream of the entity B, has an activity that negatively regulates an activity performed by B. For example, A and B may be gene products and binding of B by A negatively regulates the kinase activity of B. directly inhibits molecularly decreases activity of directly negatively regulates activity of The entity A, immediately upstream of the entity B, has an activity that positively regulates an activity performed by B. For example, A and B may be gene products and binding of B by A positively regulates the kinase activity of B. directly activates molecularly increases activity of directly positively regulates activity of This property or its subproperties is not to be used directly. These properties exist as helper properties that are used to support OWL reasoning. helper property (not for use in curation) 'otolith organ' SubClassOf 'composed primarily of' some 'calcium carbonate' x composed_primarily_of y if and only if more than half of the mass of x is made from y or units of the same type as y. composed primarily of p has part that occurs in c if and only if there exists some p1, such that p has_part p1, and p1 occurs in c. has part that occurs in is kinase activity x transformation of y if x is the immediate transformation of y, or is linked to y through a chain of transformation relationships transformation of x immediate transformation of y iff x immediately succeeds y temporally at a time boundary t, and all of the matter present in x at t is present in y at t, and all the matter in y at t is present in x at t immediate transformation of A relationship between a material entity and a process where the material entity has some causal role that influences the process causal agent in process p is causally related to q if and only if p or any part of p and q or any part of q are linked by a chain of events where each event pair is one where the execution of p influences the execution of q. p may be upstream, downstream, part of, or a container of q. Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect. causal relation between processes depends on The intent is that the process branch of the causal property hierarchy is primary (causal relations hold between occurrents/processes), and that the material branch is defined in terms of the process branch Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect. causal relation between entities A coral reef environment is determined by a particular coral reef s determined by f if and only if s is a type of system, and f is a material entity that is part of s, such that f exerts a strong causal influence on the functioning of s, and the removal of f would cause the collapse of s. The label for this relation is probably too general for its restricted use, where the domain is a system. It may be relabeled in future determined by (system to material entity) determined by inverse of determined by determines (material entity to system) determines s 'determined by part of' w if and only if there exists some f such that (1) s 'determined by' f and (2) f part_of w, or f=w. determined by part of causally influenced by (entity-centric) causally influenced by interaction relation helper property http://purl.obolibrary.org/obo/ro/docs/interaction-relations/ molecular interaction relation helper property The entity or characteristic A is causally upstream of the entity or characteristic B, A having an effect on B. An entity corresponds to any biological type of entity as long as a mass is measurable. A characteristic corresponds to a particular specificity of an entity (e.g., phenotype, shape, size). causally influences (entity-centric) causally influences p directly regulates q iff p is immediately causally upstream of q and p regulates q. directly regulates (processual) directly regulates gland SubClassOf 'has part structure that is capable of' some 'secretion by cell' s 'has part structure that is capable of' p if and only if there exists some part x such that s 'has part' x and x 'capable of' p has part structure that is capable of A relationship that holds between a material entity and a process in which causality is involved, with either the material entity or some part of the material entity exerting some influence over the process, or the process influencing some aspect of the material entity. Do not use this relation directly. It is intended as a grouping for a diverse set of relations, all involving cause and effect. causal relation between material entity and a process pyrethroid -> growth Holds between c and p if and only if c is capable of some activity a, and a regulates p. capable of regulating Holds between c and p if and only if c is capable of some activity a, and a negatively regulates p. capable of negatively regulating renin -> arteriolar smooth muscle contraction Holds between c and p if and only if c is capable of some activity a, and a positively regulates p. capable of positively regulating Inverse of 'causal agent in process' process has causal agent p directly positively regulates q iff p is immediately causally upstream of q, and p positively regulates q. directly positively regulates (process to process) directly positively regulates https://wiki.geneontology.org/Directly_positively_regulates p directly negatively regulates q iff p is immediately causally upstream of q, and p negatively regulates q. directly negatively regulates (process to process) directly negatively regulates https://wiki.geneontology.org/Directly_negatively_regulates a produces b if some process that occurs_in a has_output b, where a and b are material entities. Examples: hybridoma cell line produces monoclonal antibody reagent; chondroblast produces avascular GAG-rich matrix. Note that this definition doesn't quite distinguish the output of a transformation process from a production process, which is related to the identity/granularity issue. produces a produced_by b iff some process that occurs_in b has_output a. produced by Holds between an entity and an process P where the entity enables some larger compound process, and that larger process has-part P. 2018-01-25T23:20:13Z enables subfunction 2018-01-26T23:49:30Z acts upstream of or within, positive effect https://wiki.geneontology.org/Acts_upstream_of_or_within,_positive_effect 2018-01-26T23:49:51Z acts upstream of or within, negative effect https://wiki.geneontology.org/Acts_upstream_of_or_within,_negative_effect c 'acts upstream of, positive effect' p if c is enables f, and f is causally upstream of p, and the direction of f is positive 2018-01-26T23:53:14Z acts upstream of, positive effect https://wiki.geneontology.org/Acts_upstream_of,_positive_effect c 'acts upstream of, negative effect' p if c is enables f, and f is causally upstream of p, and the direction of f is negative 2018-01-26T23:53:22Z acts upstream of, negative effect https://wiki.geneontology.org/Acts_upstream_of,_negative_effect 2018-03-13T23:55:05Z causally upstream of or within, negative effect https://wiki.geneontology.org/Causally_upstream_of_or_within,_negative_effect 2018-03-13T23:55:19Z causally upstream of or within, positive effect The entity A has an activity that regulates an activity of the entity B. For example, A and B are gene products where the catalytic activity of A regulates the kinase activity of B. regulates activity of p is indirectly causally upstream of q iff p is causally upstream of q and there exists some process r such that p is causally upstream of r and r is causally upstream of q. 2022-09-26T06:07:17Z indirectly causally upstream of p indirectly regulates q iff p is indirectly causally upstream of q and p regulates q. 2022-09-26T06:08:01Z indirectly regulates q1 reciprocal_of q2 if and only if : q1 and q2 are relational qualities and a phenotype e q1 e2 mutually implies a phenotype e2 q2 e. There are frequently two ways to state the same thing: we can say 'spermatocyte lacks asters' or 'asters absent from spermatocyte'. In this case the quality is 'lacking all parts of type' - it is a (relational) quality of the spermatocyte, and it is with respect to instances of 'aster'. One of the popular requirements of PATO is that it continue to support 'absent', so we need to relate statements which use this quality to the 'lacking all parts of type' quality. reciprocal of q1 reciprocal_of q2 if and only if : q1 and q2 are relational qualities and a phenotype e q1 e2 mutually implies a phenotype e2 q2 e. https://orcid.org/0000-0002-6601-2165 A diagnostic testing device utilizes a specimen. X device utilizes material Y means X and Y are material entities, and X is capable of some process P that has input Y. A diagnostic testing device utilizes a specimen means that the diagnostic testing device is capable of an assay, and this assay a specimen as its input. See github ticket https://github.com/oborel/obo-relations/issues/497 2021-11-08T12:00:00Z utilizes device utilizes material chebi_ontology is_conjugate_base_of true false is conjugate base of chebi_ontology is_conjugate_acid_of true false is conjugate acid of chebi_ontology is_tautomer_of true is tautomer of chebi_ontology is_substituent_group_from false false is substituent group from chebi_ontology has_functional_parent false false has functional parent chebi_ontology is_enantiomer_of true false is enantiomer of chebi_ontology has_parent_hydride false false has parent hydride A relationship that holds between a process and a characteristic in which process (P) regulates characteristic (C) iff: P results in the existence of C OR affects the intensity or magnitude of C. regulates characteristic A relationship that holds between a process and a characteristic in which process (P) positively regulates characteristic (C) iff: P results in an increase in the intensity or magnitude of C. positively regulates characteristic A relationship that holds between a process and a characteristic in which process (P) negatively regulates characteristic (C) iff: P results in a decrease in the intensity or magnitude of C. negatively regulates characteristic This property only applies to anatomical entities. 2024-10-29T09:55:07Z is anatomical entity 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. role An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time. Elucidation: An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time. material entity A material entity that is ingested and contributes to survival, growth and development dietary chemical component Material which remains after the removal of water from plant matter. dry matter dry plant matter Carbohydrates that are absorbed in the small intestine and provide carbohydrate for metabolism in monogastric animals. digestible carbohydrate available carbohydrate Carbohydrates that are absorbed in the small intestine and provide carbohydrate for metabolism in monogastric animals. Available carbohydrate in monosaccharide and disaccharide form free sugar Available carbohydrate in monosaccharide and disaccharide form 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 dietary fibre 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 Dietary fibre which dissolves in water and is partially or completely fermented in the colon of monogastric animals by gut bacteria. water soluble dietary fibre soluble dietary fibre Dietary fibre which dissolves in water and is partially or completely fermented in the colon of monogastric animals by gut bacteria. A portion of starch that cannot be digested by amylases in the small intestine resistant starch A portion of starch that cannot be digested by amylases in the small intestine 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. water insoluble dietary fibre insoluble dietary fibre 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. A protein that accumulates in developing seeds or grains. seed storage protein A protein that accumulates in developing seeds or grains. A mineral nutrient that represents a major proportion of the minerals required in the diet macromineral macro element Mineral nutrient that is present in a very low concentration within the diet micromineral trace element A plant metabolite that is not essential for growth or division of plant cells. secondary metabolite plant secondary metabolite An organic molecule that has a vitamin(role) This term can be assigned to CHEBI or any other ontology that claims it vitamin (molecular entity) Calcium ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts dietary calcium Calcium ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts Chlorine ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts dietary chlorine Chlorine ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts Magnesium ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts dietary magnesium Magnesium ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts Phosphorus ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts dietary phosphorus Phosphorus ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts Potassium ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts dietary potassium Sodium ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts dietary sodium Sulfur ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts dietary sulfur Sulfur ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts Chromium ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts dietary chromium Chromium ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts Copper ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts dietary copper Copper ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts Fluorine ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts dietary fluorine Fluorine ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts Iodine ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts dietary iodine Iodine ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts Iron ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts dietary iron Manganese ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts dietary manganese Manganese ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts Molybdenum ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts dietary molybdenum Molybdenum ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts Selenium ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts dietary selenium Selenium ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts Zinc ingested by an organism that contributes to the survival, growth, development, or other biological function of itself, its bionts, or its holobionts dietary zinc A complex carbohydrate with various rheological properties that result in viscoelastic behavior gum A complex carbohydrate with various rheological properties that result in viscoelastic behavior 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). high molecular weight dietary fibre 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). 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. fermentable dietary fibre Dietary fibre that resists degradation by the bacteria in the colon, resulting in limited action by the large bowel microbiota. non-fermentable dietary fibre Soluble dietary fibre that dissolves in water to form semifluid solutions or a gel-like matrix, and exhibits high shear strength in aqueous solutions. viscous dietary fibre 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. added dietary fibre 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. Dietary fibre that is selectively utilized by host microorganisms conferring a health benefit. prebiotic dietary fibre Dietary fibre that is selectively utilized by host microorganisms conferring a health benefit. Water soluble dietary fibre which precipitates in 78% aqueous ethanol. soluble dietary fibre precipitate (SDFP) Water soluble dietary fibre which precipitates in 78% aqueous ethanol. Water soluble dietary fibre which remains soluble in 78% aqueous ethanol. soluble dietary fibre soluble (SDFS) Water soluble dietary fibre which remains soluble in 78% aqueous ethanol. 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. low molecular weight dietary fibre 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. A polysaccharide fraction of dietary fibre that excludes lignin and all starch. NSP, polysaccharide, non-starch non-starch polysaccharide A polysaccharide fraction of dietary fibre that excludes lignin and all starch. A non-starch polysaccharide composed of cellulose or its derivatives. polysaccharide, cellulosic, non-starch cellulosic polysaccharide cellulosic polysaccharide A non-starch polysaccharide composed of cellulose or its derivatives. A non-starch polysaccharide, other than cellulose, composed of chains of various types of monosaccharide units, that may be substituted with side chains and by various functional groups. non-cellulosic polysaccharide, polysaccharides, non-cellulosic non-starch non-cellulosic polysaccharide A non-starch polysaccharide, other than cellulose, composed of chains of various types of monosaccharide units, that may be substituted with side chains and by various functional groups. A linear α-glucan composed of repeating α-1,4-linked maltotriose or maltotetraose subunits, connected by α-1,6-glycosidic bonds. pullulan A linear α-glucan composed of repeating α-1,4-linked maltotriose or maltotetraose subunits, connected by α-1,6-glycosidic bonds. A cellulosic polysaccharide to which substituent groups have been added. modified cellulose A cellulosic polysaccharide to which substituent groups have been added. A non-starch polysaccharide composed of chitin (β-1,4-poly-N-acetyl-D-glucosamine) and β-1,3-D-glucan, obtained from Aspergillus niger mycelial cell walls. Chitin-glucan complex, CGC, CG chitin-glucan A non-starch polysaccharide composed of chitin (β-1,4-poly-N-acetyl-D-glucosamine) and β-1,3-D-glucan, obtained from Aspergillus niger mycelial cell walls. A dietary fiber consisting of 3-9 monomeric units not digested by enzymes of the human digestive tract and soluble in water. Oligosaccharide, nondigestible, Resistant Oligosaccharide nondigestible oligosaccharide A dietary fiber consisting of 3-9 monomeric units not digested by enzymes of the human digestive tract and soluble in water. A fructan consisting primarily of β-(2,6)-linked fructose residues with β-(1,2)-branches graminan A fructan consisting primarily of β-(2,6)-linked fructose residues with β-(1,2)-branches A polysaccharide primarily composed of a backbone containing α−1,4-D-galacturonic acid residues pectic polysaccharide A polysaccharide primarily composed of a backbone containing α−1,4-D-galacturonic acid residues A highly water-soluble or water-dispersible polysaccharide that readily dissolves or disperses to form highly hydrated entities of colloidal (nanoscale) dimensions hydrocolloid polysaccharide-based hydrocolloid A highly water-soluble or water-dispersible polysaccharide that readily dissolves or disperses to form highly hydrated entities of colloidal (nanoscale) dimensions resistant glucan A nondigestible oligosaccharide composed of a backbone of β-(1→4)-linked d-xylopyranosyl residues partially substituted with arabinofuranosyl side chains. arabinoxylo-oligosaccharide arabinoxylan-oligosaccharide A nondigestible oligosaccharide composed of a backbone of β-(1→4)-linked d-xylopyranosyl residues partially substituted with arabinofuranosyl side chains. Amylopectin which is derived from starch. amylopectin derived from starch Amylose which is derived from starch. amylose derived from starch Galacturonan which is derived from pectin. galacturonan derived from pectin Rhamnogalacturonan which is derived from pectin. rhamnogalacturonan derived from pectin OBSOLETE. Mannan which is derived from hemicellulose. Term has been declared redundant by the The Fiber Ontology Working Group obsolete mannan derived from hemicellulose true OBSOLETE. Xylan which is derived from hemicellulose. Term has been declared redundant by the The Fiber Ontology Working Group obsolete xylan derived from hemicellulose true OBSOLETE. Xyloglucan which is derived from hemicellulose. Term has been declared redundant by the The Fiber Ontology Working Group obsolete xyloglucan derived from hemicellulose true OBSOLETE. Glucomannan which is derived from hemicellulose. Term has been declared redundant by the The Fiber Ontology Working Group obsolete glucomannan derived from hemicellulose true OBSOLETE. Arabinoxylan which is derived from hemicellulose. Term has been declared redundant by the The Fiber Ontology Working Group obsolete arabinoxylan derived from hemicellulose true Fructan which is derived from hemicellulose. fructan derived from hemicellulose Arabinan which is derived from hemicellulose. arabinan derived from hemicellulose Galactomannan which is derived from hemicellulose. galactomannan derived from hemicellulose Galactan which is derived from hemicellulose. galactan derived from hemicellulose Glucose which is derived from amylopectin derived from starch. glucose derived from amylopectin derived from starch Glucose which is derived from amylose derived from starch. glucose derived from amylose derived from starch Glucose which is derived from sucrose. glucose derived from sucrose Fructose which is derived from sucrose. fructose derived from sucrose Glucose which is derived from maltose. glucose derived from maltose Galacturonic acid which is derived from galacturonan derived from pectin. galacturonic acid derived from galacturonan derived from pectin Rhamnose which is derived from rhamnogalacturonan derived from pectin. rhamnose derived from rhamnogalacturonan derived from pectin D-apiose which is derived from rhamnogalacturonan derived from pectin. D-apiose derived from rhamnogalacturonan derived from pectin Galacturonic acid which is derived from rhamnogalacturonan derived from pectin. galacturonic acid derived from rhamnogalacturonan derived from pectin Fucose which is derived from rhamnogalacturonan derived from pectin. fucose derived from rhamnogalacturonan derived from pectin Xylose which is derived from rhamnogalacturonan derived from pectin. xylose derived from rhamnogalacturonan derived from pectin Arabinose which is derived from rhamnogalacturonan derived from pectin. arabinose derived from rhamnogalacturonan derived from pectin Galactose which is derived from rhamnogalacturonan derived from pectin. galactose derived from rhamnogalacturonan derived from pectin Raffinose which is derived from raffinose family oligosaccharide. raffinose derived from raffinose family oligosaccharide Galactose which is derived from raffinose derived from raffinose family oligosaccharide. galactose derived from raffinose derived from raffinose family oligosaccharide Glucose which is derived from raffinose derived from raffinose family oligosaccharide. glucose derived from raffinose derived from raffinose family oligosaccharide Fructose which is derived from raffinose derived from raffinose family oligosaccharide. fructose derived from raffinose derived from raffinose family oligosaccharide Stachyose which is derived from raffinose family oligosaccharide. stachyose derived from raffinose family oligosaccharide Galactose which is derived from stachyose derived from raffinose family oligosaccharide. galactose derived from stachyose derived from raffinose family oligosaccharide Glucose which is derived from stachyose derived from raffinose family oligosaccharide. glucose derived from stachyose derived from raffinose family oligosaccharidee Fructose which is derived from stachyose derived from raffinose family oligosaccharide. fructose derived from stachyose derived from raffinose family oligosaccharide Verbascose which is derived from raffinose family oligosaccharide. verbascose derived from raffinose family oligosaccharide Galactose which is derived from verbascose derived from raffinose family oligosaccharide. galactose derived from verbascose derived from raffinose family oligosaccharide Glucose which is derived from verbascose derived from raffinose family oligosaccharide. glucose derived from verbascose derived from raffinose family oligosaccharide Fructose which is derived from verbascose derived from raffinose family oligosaccharide. fructose derived from verbascose derived from raffinose family oligosaccharide Glucose which is derived from amorphous cellulose. glucose derived from amorphous cellulose Mannose which is derived from mannan derived from hemicellulose. mannose derived from mannan derived from hemicellulose Glucose which is derived from xylan derived from hemicellulose. glucose derived from xylan derived from hemicellulose Xylose which is derived from xylan derived from hemicellulose. xylose derived from xylan derived from hemicellulose Glucose which is derived from xyloglucan derived from hemicellulose. glucose derived from xyloglucan derived from hemicellulose Xylose which is derived from xyloglucan derived from hemicellulose. xylose derived from xyloglucan derived from hemicellulose Glucose which is derived from glucomannan derived from hemicellulose. glucose derived from glucomannan derived from hemicellulose Mannose which is derived from glucomannan derived from hemicellulose. mannose derived from glucomannan derived from hemicellulose Arabinose which is derived from arabinoxylan derived from hemicellulose. arabinose derived from arabinoxylan derived from hemicellulose Xylose which is derived from arabinoxylan derived from hemicellulose. xylose derived from arabinoxylan derived from hemicellulose Inulin which is derived from fructan. inulin derived from fructan Fructose which is derived from inulin derived from fructan. fructose derived from inulin derived from fructan Amino acid which is derived from protein. amino acid derived from protein The concentration of dietary chemical component when measured in some material entity. material entity dietary chemical component concentration concentration of dietary chemical component in material entity The concentration of water when measured in some material entity. INFOODs:WATER USDA_fdc_id:1051 USDA_nutrient_nbr:255 material entity water concentration concentration of water in material entity The concentration of dry plant matter when measured in some material entity. INFOODs:DM INFOODs:SOLID INFOODs:SOLO material entity dry plant matter concentration concentration of dry plant matter in material entity The concentration of ash when measured in some material entity. INFOODs:ASH USDA_fdc_id:1007 USDA_nutrient_nbr:207 material entity ash concentration concentration of ash in material entity The concentration of carbohydrate when measured in some material entity. USDA_fdc_id:1005 USDA_fdc_id:1050 USDA_fdc_id:1072 USDA_fdc_id:2039 USDA_nutrient_nbr:205 USDA_nutrient_nbr:205.2 USDA_nutrient_nbr:284 USDA_nutrient_nbr:956 material entity carbohydrate concentration concentration of carbohydrate in material entity The concentration of polysaccharide when measured in some material entity. INFOODs:POLYSAC material entity polysaccharide concentration concentration of polysaccharide in material entity The concentration of starch when measured in some material entity. INFOODs:STARCH INFOODs:STARCH- INFOODs:STARCHM USDA_fdc_id:1009 USDA_nutrient_nbr:209 material entity starch concentration concentration of starch in material entity The concentration of pectin when measured in some material entity. INFOODs:PECT USDA_fdc_id:1017 USDA_nutrient_nbr:220 material entity pectin concentration concentration of pectin in material entity The concentration of amorphous cellulose when measured in some material entity. INFOODs:CELLU USDA_fdc_id:1022 USDA_nutrient_nbr:225 material entity amorphous cellulose concentration concentration of amorphous cellulose in material entity The concentration of hemicellulose when measured in some material entity. INFOODs:HEMCEL USDA_fdc_id:1021 USDA_nutrient_nbr:224 material entity hemicellulose concentration concentration of hemicellulose in material entity The concentration of inulin when measured in some material entity. INFOODs:INULN USDA_fdc_id:1403 USDA_nutrient_nbr:806 material entity inulin concentration concentration of inulin in material entity The concentration of monosaccharide when measured in some material entity. INFOODs:MNSAC material entity monosaccharide concentration concentration of monosaccharide in material entity The concentration of glucose when measured in some material entity. INFOODs:GLUFB INFOODs:GLUS USDA_fdc_id:1011 USDA_nutrient_nbr:211 material entity glucose concentration concentration of glucose in material entity The concentration of fructose when measured in some material entity. INFOODs:FRUFB INFOODs:FRUS USDA_fdc_id:1012 USDA_nutrient_nbr:212 material entity fructose concentration concentration of fructose in material entity The concentration of rhamnose when measured in some material entity. INFOODs:RHAFB INFOODs:RHAS material entity rhamnose concentration concentration of rhamnose in material entity The concentration of D-apiose when measured in some material entity. material entity D-apiose concentration concentration of D-apiose in material entity The concentration of galacturonic acid when measured in some material entity. INFOODs:GALAAC USDA_fdc_id:1034 USDA_nutrient_nbr:238 material entity galacturonic acid concentration concentration of galacturonic acid in material entity The concentration of fucose when measured in some material entity. INFOODs:FUCOS material entity fucose concentration concentration of fucose in material entity The concentration of xylose when measured in some material entity. INFOODs:XYLFB USDA_fdc_id:1074 USDA_nutrient_nbr:286 material entity xylose concentration concentration of xylose in material entity The concentration of arabinose when measured in some material entity. INFOODs:ARAFB INFOODs:ARAS USDA_fdc_id:1073 USDA_nutrient_nbr:285 material entity arabinose concentration concentration of arabinose in material entity The concentration of galactose when measured in some material entity. INFOODs:GALS USDA_fdc_id:1075 USDA_nutrient_nbr:287 material entity galactose concentration concentration of galactose in material entity The concentration of mannose when measured in some material entity. INFOODs:MANFB INFOODs:MANS USDA_fdc_id:1399 USDA_nutrient_nbr:801 material entity mannose concentration concentration of mannose in material entity The concentration of ribose when measured in some material entity. INFOODs:RIBS USDA_fdc_id:1081 USDA_nutrient_nbr:294 material entity ribose concentration concentration of ribose in material entity The concentration of disaccharide when measured in some material entity. INFOODs:DISAC material entity disaccharide concentration concentration of disaccharide in material entity The concentration of sucrose when measured in some material entity. INFOODs:SUCS USDA_fdc_id:1010 USDA_nutrient_nbr:210 material entity sucrose concentration concentration of sucrose in material entity The concentration of trehalose when measured in some material entity. INFOODs:TRES material entity trehalose concentration concentration of trehalose in material entity The concentration of maltose when measured in some material entity. INFOODs:MALS USDA_fdc_id:1014 USDA_nutrient_nbr:214 material entity maltose concentration concentration of maltose in material entity The concentration of oligosaccharide when measured in some material entity. INFOODs:OLSAC INFOODs:OLSACM USDA_fdc_id:1069 USDA_fdc_id:2064 USDA_nutrient_nbr:281 material entity oligosaccharide concentration concentration of oligosaccharide in material entity The concentration of raffinose family oligosaccharide when measured in some material entity. INFOODs:RAFS material entity raffinose family oligosaccharide concentration concentration of raffinose family oligosaccharide in material entity The concentration of raffinose when measured in some material entity. INFOODs:RAFS USDA_fdc_id:1076 USDA_nutrient_nbr:288 material entity raffinose concentration concentration of raffinose in material entity The concentration of stachyose when measured in some material entity. INFOODs:STAS INFOODs:STASM USDA_fdc_id:1077 USDA_nutrient_nbr:289 material entity stachyose concentration concentration of stachyose in material entity The concentration of verbascose when measured in some material entity. INFOODs:VERS INFOODs:VERSM USDA_fdc_id:2063 material entity verbascose concentration concentration of verbascose in material entity The concentration of available carbohydrate when measured in some material entity. INFOODs:CHOAVL INFOODs:CHOAVL- INFOODs:CHOAVLDF INFOODs:CHOAVLM INFOODs:CHOAVLO USDA_fdc_id:1005 USDA_nutrient_nbr:205 material entity available carbohydrate concentration concentration of available carbohydrate in material entity The concentration of free sugar when measured in some material entity. INFOODs:SUGAR INFOODs:SUGAR- INFOODs:SUGARM USDA_fdc_id:1063 USDA_nutrient_nbr:269.3 material entity free sugar concentration concentration of free sugar in material entity The concentration of dietary fibre when measured in some material entity. INFOODs:FIB- INFOODs:FIBC INFOODs:FIBDF INFOODs:FIBTGLC USDA_fdc_id:1079 USDA_fdc_id:2033 USDA_nutrient_nbr:291 USDA_nutrient_nbr:293 material entity dietary fibre concentration concentration of dietary fibre in material entity The concentration of soluble dietary fibre when measured in some material entity. INFOODs:FIBGLCSSOL INFOODs:PSACNSS USDA_fdc_id:1082 USDA_fdc_id:2035 USDA_fdc_id:2036 USDA_fdc_id:2037 USDA_nutrient_nbr:293.2 USDA_nutrient_nbr:295 USDA_nutrient_nbr:953 USDA_nutrient_nbr:954 material entity soluble dietary fibre concentration concentration of soluble dietary fibre in material entity The concentration of resistant starch when measured in some material entity. INFOODs:STARES INFOODs:STARES1 INFOODs:STARES2 INFOODs:STARES3 INFOODs:STARES4 USDA_fdc_id:1009 USDA_fdc_id:1071 USDA_nutrient_nbr:209 USDA_nutrient_nbr:283 material entity resistant starch concentration concentration of resistant starch in material entity The concentration of insoluble dietary fibre when measured in some material entity. INFOODs:FIBC INFOODs:FIBGLCSINS INFOODs:FIBGLCSINSOL INFOODs:FIBINS INFOODs:FIBTGLCS USDA_fdc_id:1084 USDA_fdc_id:2034 USDA_nutrient_nbr:293.1 USDA_nutrient_nbr:297 material entity insoluble dietary fibre concentration concentration of insoluble dietary fibre in material entity The concentration of fructan when measured in some material entity. INFOODs:FRUTN INFOODs:FRUTNM material entity fructan concentration concentration of fructan in material entity The concentration of protein when measured in some material entity. INFOODs:PROT- USDA_fdc_id:1003 USDA_nutrient_nbr:203 material entity protein concentration concentration of protein in material entity The concentration of seed storage protein when measured in some material entity. INFOODs:PROTA INFOODs:PROTPL USDA_fdc_id:1003 USDA_nutrient_nbr:203 material entity seed storage protein concentration concentration of seed storage protein in material entity The concentration of albumin type when measured in some material entity. INFOODs:ALBU material entity albumin type concentration concentration of albumin type in material entity The concentration of globulin type when measured in some material entity. INFOODs:GLOB material entity globulin type concentration concentration of globulin type in material entity The concentration of prolamin when measured in some material entity. material entity prolamin concentration concentration of prolamin in material entity The concentration of cruciferin when measured in some material entity. material entity cruciferin concentration concentration of cruciferin in material entity The concentration of glutenin when measured in some material entity. INFOODs:GLUTN material entity glutenin concentration concentration of glutenin in material entity The concentration of alanine when measured in some material entity. INFOODs:ALA USDA_fdc_id:1222 USDA_nutrient_nbr:513 material entity alanine concentration concentration of alanine in material entity The concentration of arginine when measured in some material entity. INFOODs:ARG USDA_fdc_id:1220 USDA_nutrient_nbr:511 material entity arginine concentration concentration of arginine in material entity The concentration of asparagine when measured in some material entity. INFOODs:ASN USDA_fdc_id:1231 USDA_nutrient_nbr:525 material entity asparagine concentration concentration of asparagine in material entity The concentration of aspartic acid when measured in some material entity. INFOODs:ASP USDA_fdc_id:1223 USDA_nutrient_nbr:514 material entity aspartic acid concentration concentration of aspartic acid in material entity The concentration of cysteine when measured in some material entity. INFOODs:CYSTE USDA_fdc_id:1216 USDA_fdc_id:1232 USDA_nutrient_nbr:507 USDA_nutrient_nbr:526 material entity cysteine concentration concentration of cysteine in material entity The concentration of glutamic acid when measured in some material entity. INFOODs:GLU USDA_fdc_id:1224 USDA_nutrient_nbr:515 material entity glutamic acid concentration concentration of glutamic acid in material entity The concentration of glutamine when measured in some material entity. INFOODs:GLN USDA_fdc_id:1233 USDA_nutrient_nbr:528 material entity glutamine concentration concentration of glutamine in material entity The concentration of glycine when measured in some material entity. INFOODs:GLY USDA_fdc_id:1225 USDA_nutrient_nbr:516 material entity glycine concentration concentration of glycine in material entity The concentration of histidine when measured in some material entity. INFOODs:HIS USDA_fdc_id:1221 USDA_nutrient_nbr:512 material entity histidine concentration concentration of histidine in material entity The concentration of hydroxyproline when measured in some material entity. INFOODs:HYP USDA_fdc_id:1228 USDA_nutrient_nbr:521 material entity hydroxyproline concentration concentration of hydroxyproline in material entity The concentration of isoleucine when measured in some material entity. INFOODs:ILE USDA_fdc_id:1212 USDA_nutrient_nbr:503 material entity isoleucine concentration concentration of isoleucine in material entity The concentration of leucine when measured in some material entity. INFOODs:LEU USDA_fdc_id:1213 USDA_nutrient_nbr:504 material entity leucine concentration concentration of leucine in material entity The concentration of lysine when measured in some material entity. INFOODs:LYS USDA_fdc_id:1214 USDA_nutrient_nbr:505 material entity lysine concentration concentration of lysine in material entity The concentration of methionine when measured in some material entity. INFOODs:MET USDA_fdc_id:1215 USDA_nutrient_nbr:506 material entity methionine concentration concentration of methionine in material entity The concentration of phenylalanine when measured in some material entity. INFOODs:PHE USDA_fdc_id:1217 USDA_nutrient_nbr:508 material entity phenylalanine concentration concentration of phenylalanine in material entity The concentration of proline when measured in some material entity. INFOODs:PRO USDA_fdc_id:1226 USDA_nutrient_nbr:517 material entity proline concentration concentration of proline in material entity The concentration of serine when measured in some material entity. INFOODs:SER USDA_fdc_id:1227 USDA_nutrient_nbr:518 material entity serine concentration concentration of serine in material entity The concentration of threonine when measured in some material entity. INFOODs:THR USDA_fdc_id:1211 USDA_nutrient_nbr:502 material entity threonine concentration concentration of threonine in material entity The concentration of tryptophan when measured in some material entity. INFOODs:TRP USDA_fdc_id:1210 USDA_nutrient_nbr:501 material entity tryptophan concentration concentration of tryptophan in material entity The concentration of tyrosine when measured in some material entity. INFOODs:TYR USDA_fdc_id:1218 USDA_nutrient_nbr:509 material entity tyrosine concentration concentration of tyrosine in material entity The concentration of valine when measured in some material entity. INFOODs:VAL USDA_fdc_id:1219 USDA_nutrient_nbr:510 material entity valine concentration concentration of valine in material entity The concentration of lipid when measured in some material entity. INFOODs:FATPL USDA_fdc_id:1004 USDA_fdc_id:1085 USDA_fdc_id:2044 USDA_nutrient_nbr:204 USDA_nutrient_nbr:298 USDA_nutrient_nbr:950 material entity lipid concentration concentration of lipid in material entity The concentration of diglyceride when measured in some material entity. INFOODs:DGLY material entity diglyceride concentration concentration of diglyceride in material entity The concentration of cis-fatty acid when measured in some material entity. INFOODs:FACIS material entity cis-fatty acid concentration concentration of cis-fatty acid in material entity The concentration of octanoic acid when measured in some material entity. material entity octanoic acid concentration concentration of octanoic acid in material entity The concentration of pentadecanoic acid when measured in some material entity. material entity pentadecanoic acid concentration concentration of pentadecanoic acid in material entity The concentration of tetracosanoic acid when measured in some material entity. material entity tetracosanoic acid concentration concentration of tetracosanoic acid in material entity The concentration of dodecanoic acid when measured in some material entity. material entity dodecanoic acid concentration concentration of dodecanoic acid in material entity The concentration of tetradecanoic acid when measured in some material entity. material entity tetradecanoic acid concentration concentration of tetradecanoic acid in material entity The concentration of hexadecanoic acid when measured in some material entity. material entity hexadecanoic acid concentration concentration of hexadecanoic acid in material entity The concentration of heptadecanoic acid when measured in some material entity. material entity heptadecanoic acid concentration concentration of heptadecanoic acid in material entity The concentration of octadecanoic acid when measured in some material entity. material entity octadecanoic acid concentration concentration of octadecanoic acid in material entity The concentration of icosanoic acid when measured in some material entity. material entity icosanoic acid concentration concentration of icosanoic acid in material entity The concentration of docosanoic acid when measured in some material entity. material entity docosanoic acid concentration concentration of docosanoic acid in material entity The concentration of propionic acid when measured in some material entity. INFOODs:PROPAC material entity propionic acid concentration concentration of propionic acid in material entity The concentration of myristoleic acid when measured in some material entity. material entity myristoleic acid concentration concentration of myristoleic acid in material entity The concentration of palmitoleic acid when measured in some material entity. material entity palmitoleic acid concentration concentration of palmitoleic acid in material entity The concentration of oleic acid when measured in some material entity. material entity oleic acid concentration concentration of oleic acid in material entity The concentration of palmitelaidic acid when measured in some material entity. material entity palmitelaidic acid concentration concentration of palmitelaidic acid in material entity The concentration of elaidic acid when measured in some material entity. material entity elaidic acid concentration concentration of elaidic acid in material entity The concentration of vaccenic acid when measured in some material entity. material entity vaccenic acid concentration concentration of vaccenic acid in material entity The concentration of (11Z)-icos-11-enoic acid when measured in some material entity. material entity (11Z)-icos-11-enoic acid concentration concentration of (11Z)-icos-11-enoic acid in material entity The concentration of erucic acid when measured in some material entity. material entity erucic acid concentration concentration of erucic acid in material entity The concentration of (15Z)-tetracosenoic acid when measured in some material entity. material entity (15Z)-tetracosenoic acid concentration concentration of (15Z)-tetracosenoic acid in material entity The concentration of ω−3 fatty acid when measured in some material entity. material entity ω−3 fatty acid concentration concentration of ω−3 fatty acid in material entity The concentration of all-cis-octadeca-6,9,12,15-tetraenoic acid when measured in some material entity. material entity all-cis-octadeca-6,9,12,15-tetraenoic acid concentration concentration of all-cis-octadeca-6,9,12,15-tetraenoic acid in material entity The concentration of all-cis-icosa-11,14,17-trienoic acid when measured in some material entity. material entity all-cis-icosa-11,14,17-trienoic acid concentration concentration of all-cis-icosa-11,14,17-trienoic acid in material entity The concentration of eicosatetraenoic acid when measured in some material entity. material entity eicosatetraenoic acid concentration concentration of eicosatetraenoic acid in material entity The concentration of 6Z,9Z,12Z,15Z,18Z,21Z-tetracosahexaenoic acid when measured in some material entity. material entity 6Z,9Z,12Z,15Z,18Z,21Z-tetracosahexaenoic acid concentration concentration of 6Z,9Z,12Z,15Z,18Z,21Z-tetracosahexaenoic acid in material entity The concentration of α-linolenic acid when measured in some material entity. material entity α-linolenic acid concentration concentration of α-linolenic acid in material entity The concentration of icosapentaenoic acid when measured in some material entity. material entity icosapentaenoic acid concentration concentration of icosapentaenoic acid in material entity The concentration of docosapentaenoic acid when measured in some material entity. material entity docosapentaenoic acid concentration concentration of docosapentaenoic acid in material entity The concentration of docosahexaenoic acid when measured in some material entity. material entity docosahexaenoic acid concentration concentration of docosahexaenoic acid in material entity The concentration of 9-hydroxy-5E,7Z,11Z,14Z-eicosatetraenoic acid when measured in some material entity. material entity 9-hydroxy-5E,7Z,11Z,14Z-eicosatetraenoic acid concentration concentration of 9-hydroxy-5E,7Z,11Z,14Z-eicosatetraenoic acid in material entity The concentration of linolenic acid when measured in some material entity. material entity linolenic acid concentration concentration of linolenic acid in material entity The concentration of ω−6 fatty acid when measured in some material entity. material entity ω−6 fatty acid concentration concentration of ω−6 fatty acid in material entity The concentration of linoleic acid when measured in some material entity. material entity linoleic acid concentration concentration of linoleic acid in material entity The concentration of all-cis-icosa-8,11,14-trienoic acid when measured in some material entity. material entity all-cis-icosa-8,11,14-trienoic acid concentration concentration of all-cis-icosa-8,11,14-trienoic acid in material entity The concentration of γ-linolenic acid when measured in some material entity. material entity γ-linolenic acid concentration concentration of γ-linolenic acid in material entity The concentration of icosadienoic acid when measured in some material entity. material entity icosadienoic acid concentration concentration of icosadienoic acid in material entity The concentration of arachidonic acid when measured in some material entity. material entity arachidonic acid concentration concentration of arachidonic acid in material entity The concentration of docosadienoic acid when measured in some material entity. material entity docosadienoic acid concentration concentration of docosadienoic acid in material entity The concentration of 7,10,13,16-docosatetraenoic acid when measured in some material entity. material entity 7,10,13,16-docosatetraenoic acid concentration concentration of 7,10,13,16-docosatetraenoic acid in material entity The concentration of trans-fatty acid when measured in some material entity. INFOODs:FATRN USDA_fdc_id:1257 USDA_nutrient_nbr:605 material entity trans-fatty acid concentration concentration of trans-fatty acid in material entity The concentration of capsaicin when measured in some material entity. INFOODs:CAPSA material entity capsaicin concentration concentration of capsaicin in material entity The concentration of phospholipid when measured in some material entity. INFOODs:PHOLIP USDA_fdc_id:1255 USDA_nutrient_nbr:603 material entity phospholipid concentration concentration of phospholipid in material entity The concentration of phosphatidylcholine when measured in some material entity. INFOODs:CHLNP material entity phosphatidylcholine concentration concentration of phosphatidylcholine in material entity The concentration of phosphatidylethanolamine when measured in some material entity. INFOODs:PHOETHN material entity phosphatidylethanolamine concentration concentration of phosphatidylethanolamine in material entity The concentration of phosphatidyl-L-serine when measured in some material entity. INFOODs:PHOSER material entity phosphatidyl-L-serine concentration concentration of phosphatidyl-L-serine in material entity The concentration of phosphatidylinositol when measured in some material entity. INFOODs:PHOINOTL material entity phosphatidylinositol concentration concentration of phosphatidylinositol in material entity The concentration of lysophosphatidylcholine when measured in some material entity. material entity lysophosphatidylcholine concentration concentration of lysophosphatidylcholine in material entity The concentration of glycolipid when measured in some material entity. INFOODs:GLYLIP USDA_fdc_id:1256 USDA_nutrient_nbr:604 material entity glycolipid concentration concentration of glycolipid in material entity The concentration of glycoglycerolipid when measured in some material entity. material entity glycoglycerolipid concentration concentration of glycoglycerolipid in material entity The concentration of sterol when measured in some material entity. INFOODs:STEOTH INFOODs:STERFRE INFOODs:STERT material entity sterol concentration concentration of sterol in material entity The concentration of campestanol when measured in some material entity. USDA_fdc_id:1289 USDA_nutrient_nbr:642 material entity campestanol concentration concentration of campestanol in material entity The concentration of cholesterol when measured in some material entity. INFOODs:CHOLEST USDA_fdc_id:1253 USDA_nutrient_nbr:601 material entity cholesterol concentration concentration of cholesterol in material entity The concentration of lupeol when measured in some material entity. material entity lupeol concentration concentration of lupeol in material entity The concentration of phytosterols when measured in some material entity. INFOODs:PHYSTR USDA_fdc_id:1283 USDA_nutrient_nbr:636 material entity phytosterols concentration concentration of phytosterols in material entity The concentration of avenasterol when measured in some material entity. INFOODs:AVEDT material entity avenasterol concentration concentration of avenasterol in material entity The concentration of isofucosterol when measured in some material entity. INFOODs:AVED5 USDA_fdc_id:1296 USDA_nutrient_nbr:649 material entity isofucosterol concentration concentration of isofucosterol in material entity The concentration of delta7-avenasterol when measured in some material entity. INFOODs:AVED7 USDA_fdc_id:1295 USDA_nutrient_nbr:648 material entity delta7-avenasterol concentration concentration of delta7-avenasterol in material entity The concentration of brassicasterol when measured in some material entity. INFOODs:BRASTR USDA_fdc_id:1287 USDA_nutrient_nbr:640 material entity brassicasterol concentration concentration of brassicasterol in material entity The concentration of campesterol when measured in some material entity. INFOODs:CAMT USDA_fdc_id:1286 USDA_nutrient_nbr:639 material entity campesterol concentration concentration of campesterol in material entity The concentration of ergosterol when measured in some material entity. INFOODs:ERGSTR USDA_fdc_id:1284 USDA_nutrient_nbr:637 material entity ergosterol concentration concentration of ergosterol in material entity The concentration of sitosterol when measured in some material entity. INFOODs:SITSTR material entity sitosterol concentration concentration of sitosterol in material entity The concentration of stigmastanol when measured in some material entity. material entity stigmastanol concentration concentration of stigmastanol in material entity The concentration of stigmasterol when measured in some material entity. INFOODs:STGSTR USDA_fdc_id:1285 USDA_nutrient_nbr:638 material entity stigmasterol concentration concentration of stigmasterol in material entity The concentration of delta7-stigmasterol when measured in some material entity. INFOODs:STID7 material entity delta7-stigmasterol concentration concentration of delta7-stigmasterol in material entity The concentration of mineral nutrient when measured in some material entity. USDA_fdc_id:2043 USDA_nutrient_nbr:300 material entity mineral nutrient concentration concentration of mineral nutrient in material entity The concentration of macro element when measured in some material entity. material entity macro element concentration concentration of macro element in material entity The concentration of calcium(2+) when measured in some material entity. INFOODs:CA USDA_fdc_id:1087 USDA_nutrient_nbr:301 material entity calcium(2+) concentration concentration of calcium(2+) in material entity The concentration of chloride when measured in some material entity. INFOODs:CLD material entity chloride concentration concentration of chloride in material entity The concentration of magnesium(2+) when measured in some material entity. material entity magnesium(2+) concentration concentration of magnesium(2+) in material entity The concentration of nitrogen atom when measured in some material entity. INFOODs:NAM INFOODs:NT USDA_fdc_id:1002 USDA_nutrient_nbr:202 material entity nitrogen atom concentration concentration of nitrogen atom in material entity The concentration of phosphide(3−) when measured in some material entity. material entity phosphide(3−) concentration concentration of phosphide(3−) in material entity The concentration of potassium(1+) when measured in some material entity. INFOODs:K USDA_fdc_id:1092 USDA_nutrient_nbr:306 material entity potassium(1+) concentration concentration of potassium(1+) in material entity The concentration of sodium(1+) when measured in some material entity. INFOODs:NA USDA_fdc_id:1093 USDA_nutrient_nbr:307 material entity sodium(1+) concentration concentration of sodium(1+) in material entity The concentration of sulfide(2−) when measured in some material entity. INFOODs:S USDA_fdc_id:1094 USDA_nutrient_nbr:308 material entity sulfide(2−) concentration concentration of sulfide(2−) in material entity The concentration of trace element when measured in some material entity. material entity trace element concentration concentration of trace element in material entity The concentration of aluminium(3+) when measured in some material entity. INFOODs:AL USDA_fdc_id:1132 USDA_nutrient_nbr:348 material entity aluminium(3+) concentration concentration of aluminium(3+) in material entity The concentration of antimony(3+) when measured in some material entity. INFOODs:SB USDA_fdc_id:1133 USDA_nutrient_nbr:349 material entity antimony(3+) concentration concentration of antimony(3+) in material entity The concentration of arsenic(3+) when measured in some material entity. INFOODs:AS USDA_fdc_id:1134 USDA_nutrient_nbr:350 material entity arsenic(3+) concentration concentration of arsenic(3+) in material entity The concentration of boron(3+) when measured in some material entity. INFOODs:B USDA_fdc_id:1137 USDA_nutrient_nbr:354 material entity boron(3+) concentration concentration of boron(3+) in material entity The concentration of cadmium(2+) when measured in some material entity. INFOODs:CD USDA_fdc_id:1139 USDA_nutrient_nbr:356 material entity cadmium(2+) concentration concentration of cadmium(2+) in material entity The concentration of chromium(2+) when measured in some material entity. INFOODs:CR USDA_fdc_id:1096 USDA_nutrient_nbr:310 material entity chromium(2+) concentration concentration of chromium(2+) in material entity The concentration of cobalt(2+) when measured in some material entity. INFOODs:CO USDA_fdc_id:1097 USDA_nutrient_nbr:311 material entity cobalt(2+) concentration concentration of cobalt(2+) in material entity The concentration of copper(2+) when measured in some material entity. INFOODs:CU USDA_fdc_id:1098 USDA_nutrient_nbr:312 material entity copper(2+) concentration concentration of copper(2+) in material entity The concentration of fluoride when measured in some material entity. INFOODs:FD USDA_fdc_id:1099 USDA_nutrient_nbr:313 material entity fluoride concentration concentration of fluoride in material entity The concentration of iodide when measured in some material entity. INFOODs:ID USDA_fdc_id:1100 USDA_nutrient_nbr:314 material entity iodide concentration concentration of iodide in material entity The concentration of iron(2+) when measured in some material entity. INFOODs:FE USDA_fdc_id:1089 USDA_nutrient_nbr:303 material entity iron(2+) concentration concentration of iron(2+) in material entity The concentration of lead(2+) when measured in some material entity. INFOODs:PB USDA_fdc_id:1143 USDA_nutrient_nbr:367 material entity lead(2+) concentration concentration of lead(2+) in material entity The concentration of lithium(1+) when measured in some material entity. INFOODs:LI USDA_fdc_id:1144 USDA_nutrient_nbr:368 material entity lithium(1+) concentration concentration of lithium(1+) in material entity The concentration of manganese atom when measured in some material entity. INFOODs:MN USDA_fdc_id:1101 USDA_nutrient_nbr:315 material entity manganese atom concentration concentration of manganese atom in material entity The concentration of mercury(2+) when measured in some material entity. INFOODs:HG USDA_fdc_id:1145 USDA_nutrient_nbr:370 material entity mercury(2+) concentration concentration of mercury(2+) in material entity The concentration of molybdenum(4+) when measured in some material entity. INFOODs:MO USDA_fdc_id:1102 USDA_nutrient_nbr:316 material entity molybdenum(4+) concentration concentration of molybdenum(4+) in material entity The concentration of nickel(2+) when measured in some material entity. INFOODs:NI USDA_fdc_id:1146 USDA_nutrient_nbr:371 material entity nickel(2+) concentration concentration of nickel(2+) in material entity The concentration of rubidium(1+) when measured in some material entity. INFOODs:RB USDA_fdc_id:1147 USDA_nutrient_nbr:373 material entity rubidium(1+) concentration concentration of rubidium(1+) in material entity The concentration of selenium(2+) when measured in some material entity. INFOODs:SE USDA_fdc_id:1103 USDA_nutrient_nbr:317 material entity selenium(2+) concentration concentration of selenium(2+) in material entity The concentration of strontium(2+) when measured in some material entity. INFOODs:SR USDA_fdc_id:1152 USDA_nutrient_nbr:380 material entity strontium(2+) concentration concentration of strontium(2+) in material entity The concentration of tin(2+) when measured in some material entity. INFOODs:SN USDA_fdc_id:1153 USDA_nutrient_nbr:385 material entity tin(2+) concentration concentration of tin(2+) in material entity The concentration of titanium(3+) when measured in some material entity. INFOODs:TI USDA_fdc_id:1154 USDA_nutrient_nbr:386 material entity titanium(3+) concentration concentration of titanium(3+) in material entity The concentration of vanadium(2+) when measured in some material entity. INFOODs:V USDA_fdc_id:1155 USDA_nutrient_nbr:389 material entity vanadium(2+) concentration concentration of vanadium(2+) in material entity The concentration of zinc(2+) when measured in some material entity. INFOODs:ZN USDA_fdc_id:1095 USDA_nutrient_nbr:309 material entity zinc(2+) concentration concentration of zinc(2+) in material entity The concentration of barium(2+) when measured in some material entity. INFOODs:BA USDA_fdc_id:1135 USDA_nutrient_nbr:351 material entity barium(2+) concentration concentration of barium(2+) in material entity The concentration of caesium(1+) when measured in some material entity. INFOODs:CS material entity caesium(1+) concentration concentration of caesium(1+) in material entity The concentration of bismuth(3+) when measured in some material entity. INFOODs:BI material entity bismuth(3+) concentration concentration of bismuth(3+) in material entity The concentration of lanthanum(2+) when measured in some material entity. INFOODs:LA material entity lanthanum(2+) concentration concentration of lanthanum(2+) in material entity The concentration of salt when measured in some material entity. INFOODs:NACL USDA_fdc_id:1149 USDA_nutrient_nbr:375 material entity salt concentration concentration of salt in material entity The concentration of sodium chloride when measured in some material entity. material entity sodium chloride concentration concentration of sodium chloride in material entity The concentration of inorganic nitrate salt when measured in some material entity. INFOODs:NITRA INFOODs:NITRI material entity inorganic nitrate salt concentration concentration of inorganic nitrate salt in material entity The concentration of bromide when measured in some material entity. INFOODs:BRD USDA_fdc_id:1138 USDA_nutrient_nbr:355 material entity bromide concentration concentration of bromide in material entity The concentration of vitamin (molecular entity) when measured in some material entity. USDA_fdc_id:2046 USDA_nutrient_nbr:952 material entity vitamin (molecular entity) concentration concentration of vitamin (molecular entity) in material entity The concentration of 5-formyltetrahydrofolic acid when measured in some material entity. USDA_fdc_id:1192 USDA_nutrient_nbr:437 material entity 5-formyltetrahydrofolic acid concentration concentration of 5-formyltetrahydrofolic acid in material entity The concentration of B vitamin when measured in some material entity. material entity B vitamin concentration concentration of B vitamin in material entity The concentration of (6R)-5,10-methenyltetrahydrofolate when measured in some material entity. material entity (6R)-5,10-methenyltetrahydrofolate concentration concentration of (6R)-5,10-methenyltetrahydrofolate in material entity The concentration of vitamin B1 when measured in some material entity. INFOODs:THIA- USDA_fdc_id:1165 USDA_nutrient_nbr:404 material entity vitamin B1 concentration concentration of vitamin B1 in material entity The concentration of riboflavin when measured in some material entity. INFOODs:RIBF USDA_fdc_id:1166 USDA_nutrient_nbr:405 material entity riboflavin concentration concentration of riboflavin in material entity The concentration of nicotinic acid when measured in some material entity. INFOODs:NIA- USDA_fdc_id:1167 USDA_nutrient_nbr:406 material entity nicotinic acid concentration concentration of nicotinic acid in material entity The concentration of (R)-pantothenic acid when measured in some material entity. INFOODs:PANTAC USDA_fdc_id:1170 USDA_nutrient_nbr:410 material entity (R)-pantothenic acid concentration concentration of (R)-pantothenic acid in material entity The concentration of pyridoxine when measured in some material entity. INFOODs:PYRXN USDA_fdc_id:1171 USDA_nutrient_nbr:411 material entity pyridoxine concentration concentration of pyridoxine in material entity The concentration of biotin when measured in some material entity. INFOODs:BIOT USDA_fdc_id:1176 USDA_nutrient_nbr:416 material entity biotin concentration concentration of biotin in material entity The concentration of folic acid when measured in some material entity. INFOODs:FOLAC USDA_fdc_id:1186 USDA_nutrient_nbr:431 material entity folic acid concentration concentration of folic acid in material entity The concentration of cyanocob(III)alamin when measured in some material entity. material entity cyanocob(III)alamin concentration concentration of cyanocob(III)alamin in material entity The concentration of vitamin C when measured in some material entity. INFOODs:VITC INFOODs:VITC- USDA_fdc_id:1162 USDA_nutrient_nbr:401 material entity vitamin C concentration concentration of vitamin C in material entity The concentration of L-ascorbic acid when measured in some material entity. INFOODs:ASCL USDA_fdc_id:1162 USDA_nutrient_nbr:401 material entity L-ascorbic acid concentration concentration of L-ascorbic acid in material entity The concentration of vitamin A when measured in some material entity. INFOODs:VITA INFOODs:VITA- INFOODs:VITAA USDA_fdc_id:1104 USDA_fdc_id:1106 USDA_fdc_id:1156 USDA_fdc_id:2067 USDA_nutrient_nbr:318 USDA_nutrient_nbr:320 USDA_nutrient_nbr:392 USDA_nutrient_nbr:960 material entity vitamin A concentration concentration of vitamin A in material entity The concentration of carotenoid when measured in some material entity. INFOODs:CARTOID material entity carotenoid concentration concentration of carotenoid in material entity The concentration of α-carotene when measured in some material entity. INFOODs:CARTA USDA_fdc_id:1108 USDA_nutrient_nbr:322 material entity α-carotene concentration concentration of α-carotene in material entity The concentration of β-carotene when measured in some material entity. INFOODs:CARTB USDA_fdc_id:1107 USDA_nutrient_nbr:321 material entity β-carotene concentration concentration of β-carotene in material entity The concentration of 4-hydroxy-all-trans-β-carotene when measured in some material entity. INFOODs:CARTB USDA_fdc_id:2028 USDA_nutrient_nbr:321.2 material entity 4-hydroxy-all-trans-β-carotene concentration concentration of 4-hydroxy-all-trans-β-carotene in material entity The concentration of 9-cis-β-carotene when measured in some material entity. INFOODs:CARTBCIS USDA_fdc_id:1159 USDA_nutrient_nbr:321.1 material entity 9-cis-β-carotene concentration concentration of 9-cis-β-carotene in material entity The concentration of vitamin D when measured in some material entity. INFOODs:VITD INFOODs:VITD- USDA_fdc_id:1110 USDA_fdc_id:1114 USDA_nutrient_nbr:324 USDA_nutrient_nbr:328 material entity vitamin D concentration concentration of vitamin D in material entity The concentration of calcidiol when measured in some material entity. USDA_fdc_id:1113 USDA_nutrient_nbr:327 material entity calcidiol concentration concentration of calcidiol in material entity The concentration of vitamin E when measured in some material entity. INFOODs:VITE INFOODs:VITE- INFOODs:VITEA USDA_fdc_id:1124 USDA_fdc_id:1158 USDA_fdc_id:2068 USDA_nutrient_nbr:340 USDA_nutrient_nbr:394 USDA_nutrient_nbr:959 material entity vitamin E concentration concentration of vitamin E in material entity The concentration of tocopherol when measured in some material entity. INFOODs:TOCPHT USDA_fdc_id:2055 material entity tocopherol concentration concentration of tocopherol in material entity The concentration of α-tocopherol when measured in some material entity. INFOODs:TOCPHA USDA_fdc_id:1109 USDA_nutrient_nbr:323 material entity α-tocopherol concentration concentration of α-tocopherol in material entity The concentration of β-tocopherol when measured in some material entity. INFOODs:TOCPHB USDA_fdc_id:1125 USDA_nutrient_nbr:341 material entity β-tocopherol concentration concentration of β-tocopherol in material entity The concentration of γ-tocopherol when measured in some material entity. INFOODs:TOCPHG USDA_fdc_id:1126 USDA_nutrient_nbr:342 material entity γ-tocopherol concentration concentration of γ-tocopherol in material entity The concentration of δ-tocopherol when measured in some material entity. INFOODs:TOCPHD USDA_fdc_id:1127 USDA_nutrient_nbr:343 material entity δ-tocopherol concentration concentration of δ-tocopherol in material entity The concentration of tocotrienol when measured in some material entity. INFOODs:TOCTRT USDA_fdc_id:2054 material entity tocotrienol concentration concentration of tocotrienol in material entity The concentration of α-tocotrienol when measured in some material entity. INFOODs:TOCTRA USDA_fdc_id:1128 USDA_nutrient_nbr:344 material entity α-tocotrienol concentration concentration of α-tocotrienol in material entity The concentration of β-tocotrienol when measured in some material entity. INFOODs:TOCTRB USDA_fdc_id:1129 USDA_nutrient_nbr:345 material entity β-tocotrienol concentration concentration of β-tocotrienol in material entity The concentration of γ-tocotrienol when measured in some material entity. INFOODs:TOCTRG USDA_fdc_id:1130 USDA_nutrient_nbr:346 material entity γ-tocotrienol concentration concentration of γ-tocotrienol in material entity The concentration of δ-tocotrienol when measured in some material entity. INFOODs:TOCTRD USDA_fdc_id:1131 USDA_nutrient_nbr:347 material entity δ-tocotrienol concentration concentration of δ-tocotrienol in material entity The concentration of vitamin K when measured in some material entity. INFOODs:VITK USDA_fdc_id:1183 USDA_fdc_id:1184 USDA_nutrient_nbr:428 USDA_nutrient_nbr:429 material entity vitamin K concentration concentration of vitamin K in material entity The concentration of plant secondary metabolite when measured in some material entity. material entity plant secondary metabolite concentration concentration of plant secondary metabolite in material entity The concentration of alkaloid when measured in some material entity. material entity alkaloid concentration concentration of alkaloid in material entity The concentration of caffeine when measured in some material entity. INFOODs:CAFFN USDA_fdc_id:1057 USDA_nutrient_nbr:262 material entity caffeine concentration concentration of caffeine in material entity The concentration of mescaline when measured in some material entity. material entity mescaline concentration concentration of mescaline in material entity The concentration of theobromine when measured in some material entity. INFOODs:THEBRN USDA_fdc_id:1058 USDA_nutrient_nbr:263 material entity theobromine concentration concentration of theobromine in material entity The concentration of phenols when measured in some material entity. material entity phenols concentration concentration of phenols in material entity The concentration of polyphenol when measured in some material entity. INFOODs:POLYPHENT USDA_fdc_id:1209 USDA_nutrient_nbr:470 material entity polyphenol concentration concentration of polyphenol in material entity The concentration of tannin when measured in some material entity. INFOODs:TAN material entity tannin concentration concentration of tannin in material entity The concentration of chlorogenic acid when measured in some material entity. INFOODs:CHLRAC USDA_fdc_id:1030 USDA_nutrient_nbr:234 material entity chlorogenic acid concentration concentration of chlorogenic acid in material entity The concentration of proanthocyanidin when measured in some material entity. INFOODs:PAPOLY INFOODs:TAN material entity proanthocyanidin concentration concentration of proanthocyanidin in material entity The concentration of hydrolysable tannin when measured in some material entity. INFOODs:TAN material entity hydrolysable tannin concentration concentration of hydrolysable tannin in material entity The concentration of ellagitannin when measured in some material entity. INFOODs:ELLAC material entity ellagitannin concentration concentration of ellagitannin in material entity The concentration of gallotannin when measured in some material entity. material entity gallotannin concentration concentration of gallotannin in material entity The concentration of phlorotannin when measured in some material entity. material entity phlorotannin concentration concentration of phlorotannin in material entity The concentration of catechol when measured in some material entity. material entity catechol concentration concentration of catechol in material entity The concentration of phloroglucinol when measured in some material entity. material entity phloroglucinol concentration concentration of phloroglucinol in material entity The concentration of (−)-epigallocatechin 3-gallate when measured in some material entity. INFOODs:EPICATEGC USDA_fdc_id:1368 USDA_nutrient_nbr:753 material entity (−)-epigallocatechin 3-gallate concentration concentration of (−)-epigallocatechin 3-gallate in material entity The concentration of phenolic acid when measured in some material entity. USDA_fdc_id:1208 USDA_nutrient_nbr:469 material entity phenolic acid concentration concentration of phenolic acid in material entity The concentration of gallic acid when measured in some material entity. INFOODs:GALLAC USDA_fdc_id:1035 USDA_nutrient_nbr:239 material entity gallic acid concentration concentration of gallic acid in material entity The concentration of hydroxybenzoic acid when measured in some material entity. material entity hydroxybenzoic acid concentration concentration of hydroxybenzoic acid in material entity The concentration of salicylic acid when measured in some material entity. INFOODs:SALAC USDA_fdc_id:1045 USDA_nutrient_nbr:249 material entity salicylic acid concentration concentration of salicylic acid in material entity The concentration of hydroquinone O-β-D-glucopyranoside when measured in some material entity. material entity hydroquinone O-β-D-glucopyranoside concentration concentration of hydroquinone O-β-D-glucopyranoside in material entity The concentration of vanillic acid when measured in some material entity. INFOODs:VANAC USDA_fdc_id:1207 USDA_nutrient_nbr:467 material entity vanillic acid concentration concentration of vanillic acid in material entity The concentration of syringic acid when measured in some material entity. INFOODs:SYRAC material entity syringic acid concentration concentration of syringic acid in material entity The concentration of methyl ketone when measured in some material entity. material entity methyl ketone concentration concentration of methyl ketone in material entity The concentration of acetophenone when measured in some material entity. material entity acetophenone concentration concentration of acetophenone in material entity The concentration of phenylacetic acid when measured in some material entity. material entity phenylacetic acid concentration concentration of phenylacetic acid in material entity The concentration of hydroxycinnamic acid when measured in some material entity. material entity hydroxycinnamic acid concentration concentration of hydroxycinnamic acid in material entity The concentration of caffeic acid when measured in some material entity. INFOODs:CAFFAC USDA_fdc_id:1201 USDA_nutrient_nbr:461 material entity caffeic acid concentration concentration of caffeic acid in material entity The concentration of sinapic acid when measured in some material entity. INFOODs:SINPAC material entity sinapic acid concentration concentration of sinapic acid in material entity The concentration of chromones when measured in some material entity. material entity chromones concentration concentration of chromones in material entity The concentration of Chicoric acid when measured in some material entity. material entity Chicoric acid concentration concentration of Chicoric acid in material entity The concentration of coumaric acid when measured in some material entity. material entity coumaric acid concentration concentration of coumaric acid in material entity The concentration of 4-coumaric acid when measured in some material entity. INFOODs:PCHOUAC material entity 4-coumaric acid concentration concentration of 4-coumaric acid in material entity The concentration of 2-coumaric acid when measured in some material entity. material entity 2-coumaric acid concentration concentration of 2-coumaric acid in material entity The concentration of 3-coumaric acid when measured in some material entity. material entity 3-coumaric acid concentration concentration of 3-coumaric acid in material entity The concentration of ferulic acid when measured in some material entity. INFOODs:FERAC USDA_fdc_id:1204 USDA_nutrient_nbr:464 material entity ferulic acid concentration concentration of ferulic acid in material entity The concentration of scopoletin when measured in some material entity. material entity scopoletin concentration concentration of scopoletin in material entity The concentration of phenylpropane when measured in some material entity. material entity phenylpropane concentration concentration of phenylpropane in material entity The concentration of naphthoquinone when measured in some material entity. material entity naphthoquinone concentration concentration of naphthoquinone in material entity The concentration of 1,2-napthoquinone when measured in some material entity. material entity 1,2-napthoquinone concentration concentration of 1,2-napthoquinone in material entity The concentration of 1,4-napthoquinone when measured in some material entity. material entity 1,4-napthoquinone concentration concentration of 1,4-napthoquinone in material entity The concentration of juglone when measured in some material entity. material entity juglone concentration concentration of juglone in material entity The concentration of stilbenoid when measured in some material entity. material entity stilbenoid concentration concentration of stilbenoid in material entity The concentration of stilbene when measured in some material entity. material entity stilbene concentration concentration of stilbene in material entity The concentration of anthraquinone when measured in some material entity. material entity anthraquinone concentration concentration of anthraquinone in material entity The concentration of aglycone when measured in some material entity. material entity aglycone concentration concentration of aglycone in material entity The concentration of emodin when measured in some material entity. material entity emodin concentration concentration of emodin in material entity The concentration of xanthones when measured in some material entity. material entity xanthones concentration concentration of xanthones in material entity The concentration of simple oxygenated xanthones when measured in some material entity. material entity simple oxygenated xanthones concentration concentration of simple oxygenated xanthones in material entity The concentration of xanthone glycoside when measured in some material entity. material entity xanthone glycoside concentration concentration of xanthone glycoside in material entity The concentration of prenylated and related xanthones when measured in some material entity. material entity prenylated and related xanthones concentration concentration of prenylated and related xanthones in material entity The concentration of xanthonolignoid when measured in some material entity. material entity xanthonolignoid concentration concentration of xanthonolignoid in material entity The concentration of flavonoids when measured in some material entity. INFOODs:FLAVD USDA_fdc_id:1347 USDA_nutrient_nbr:729 material entity flavonoids concentration concentration of flavonoids in material entity The concentration of flavonoid when measured in some material entity. INFOODs:FLAVD material entity flavonoid concentration concentration of flavonoid in material entity The concentration of malvidin when measured in some material entity. INFOODs:MALVIDIN USDA_fdc_id:1358 USDA_nutrient_nbr:742 material entity malvidin concentration concentration of malvidin in material entity The concentration of kaempferol when measured in some material entity. INFOODs:KAEMF USDA_fdc_id:1388 USDA_nutrient_nbr:786 material entity kaempferol concentration concentration of kaempferol in material entity The concentration of flavan when measured in some material entity. USDA_fdc_id:1362 USDA_nutrient_nbr:747 material entity flavan concentration concentration of flavan in material entity The concentration of flavanone when measured in some material entity. USDA_fdc_id:1372 USDA_nutrient_nbr:757 material entity flavanone concentration concentration of flavanone in material entity The concentration of 6-prenylnaringenin when measured in some material entity. material entity 6-prenylnaringenin concentration concentration of 6-prenylnaringenin in material entity The concentration of sophoraflavanone B when measured in some material entity. material entity sophoraflavanone B concentration concentration of sophoraflavanone B in material entity The concentration of eriocitrin when measured in some material entity. material entity eriocitrin concentration concentration of eriocitrin in material entity The concentration of eriodictyol when measured in some material entity. USDA_fdc_id:1373 USDA_nutrient_nbr:758 material entity eriodictyol concentration concentration of eriodictyol in material entity The concentration of hesperetin when measured in some material entity. INFOODs:HESPT USDA_fdc_id:1374 USDA_nutrient_nbr:759 material entity hesperetin concentration concentration of hesperetin in material entity The concentration of hesperidin when measured in some material entity. INFOODs:HESPD material entity hesperidin concentration concentration of hesperidin in material entity The concentration of homoeriodictyol when measured in some material entity. material entity homoeriodictyol concentration concentration of homoeriodictyol in material entity The concentration of 4'-methoxy-5,7-dihydroxyflavanone when measured in some material entity. USDA_fdc_id:1375 USDA_nutrient_nbr:760 material entity 4'-methoxy-5,7-dihydroxyflavanone concentration concentration of 4'-methoxy-5,7-dihydroxyflavanone in material entity The concentration of naringenin when measured in some material entity. INFOODs:NARING USDA_fdc_id:1377 USDA_nutrient_nbr:762 material entity naringenin concentration concentration of naringenin in material entity The concentration of naringin when measured in some material entity. INFOODs:NARIN material entity naringin concentration concentration of naringin in material entity The concentration of narirutin when measured in some material entity. INFOODs:NARIR material entity narirutin concentration concentration of narirutin in material entity The concentration of neoeriocitrin when measured in some material entity. material entity neoeriocitrin concentration concentration of neoeriocitrin in material entity The concentration of neohesperidin when measured in some material entity. material entity neohesperidin concentration concentration of neohesperidin in material entity The concentration of pinocembrin when measured in some material entity. material entity pinocembrin concentration concentration of pinocembrin in material entity The concentration of (2S)-poncirin when measured in some material entity. material entity (2S)-poncirin concentration concentration of (2S)-poncirin in material entity The concentration of sakuranetin when measured in some material entity. material entity sakuranetin concentration concentration of sakuranetin in material entity The concentration of flavone when measured in some material entity. USDA_fdc_id:1378 USDA_nutrient_nbr:768 material entity flavone concentration concentration of flavone in material entity The concentration of 6-hydroxyluteolin when measured in some material entity. material entity 6-hydroxyluteolin concentration concentration of 6-hydroxyluteolin in material entity The concentration of 6-hydroxyluteolin 7-O-laminaribioside when measured in some material entity. material entity 6-hydroxyluteolin 7-O-laminaribioside concentration concentration of 6-hydroxyluteolin 7-O-laminaribioside in material entity The concentration of 4',7-dihydroxyflavone when measured in some material entity. material entity 4',7-dihydroxyflavone concentration concentration of 4',7-dihydroxyflavone in material entity The concentration of apigenin when measured in some material entity. INFOODs:APIGEN USDA_fdc_id:1379 USDA_nutrient_nbr:770 material entity apigenin concentration concentration of apigenin in material entity The concentration of baicalein when measured in some material entity. material entity baicalein concentration concentration of baicalein in material entity The concentration of chrysin when measured in some material entity. material entity chrysin concentration concentration of chrysin in material entity The concentration of cirsilineol when measured in some material entity. material entity cirsilineol concentration concentration of cirsilineol in material entity The concentration of cirsimaritin when measured in some material entity. material entity cirsimaritin concentration concentration of cirsimaritin in material entity The concentration of diosmin when measured in some material entity. material entity diosmin concentration concentration of diosmin in material entity The concentration of dihydromyricetin when measured in some material entity. material entity dihydromyricetin concentration concentration of dihydromyricetin in material entity The concentration of eupatorin when measured in some material entity. material entity eupatorin concentration concentration of eupatorin in material entity The concentration of gardenin B when measured in some material entity. material entity gardenin B concentration concentration of gardenin B in material entity The concentration of geraldone when measured in some material entity. material entity geraldone concentration concentration of geraldone in material entity The concentration of hispidulin when measured in some material entity. material entity hispidulin concentration concentration of hispidulin in material entity The concentration of isovitexin when measured in some material entity. material entity isovitexin concentration concentration of isovitexin in material entity The concentration of jaceosidin when measured in some material entity. material entity jaceosidin concentration concentration of jaceosidin in material entity The concentration of luteolin when measured in some material entity. INFOODs:LUTEOL USDA_fdc_id:1382 USDA_nutrient_nbr:773 material entity luteolin concentration concentration of luteolin in material entity The concentration of luteolin 7-O-β-D-glucoside(1−) when measured in some material entity. material entity luteolin 7-O-β-D-glucoside(1−) concentration concentration of luteolin 7-O-β-D-glucoside(1−) in material entity The concentration of myricitrin when measured in some material entity. material entity myricitrin concentration concentration of myricitrin in material entity The concentration of nobiletin when measured in some material entity. USDA_fdc_id:1383 USDA_nutrient_nbr:781 material entity nobiletin concentration concentration of nobiletin in material entity The concentration of quercetin when measured in some material entity. INFOODs:QUERCE USDA_fdc_id:1391 USDA_nutrient_nbr:789 material entity quercetin concentration concentration of quercetin in material entity The concentration of apigenin 7-O-neohesperidoside when measured in some material entity. material entity apigenin 7-O-neohesperidoside concentration concentration of apigenin 7-O-neohesperidoside in material entity The concentration of scutellarein when measured in some material entity. material entity scutellarein concentration concentration of scutellarein in material entity The concentration of sinensetin when measured in some material entity. USDA_fdc_id:1384 USDA_nutrient_nbr:782 material entity sinensetin concentration concentration of sinensetin in material entity The concentration of tangeretin when measured in some material entity. INFOODs:TANGER USDA_fdc_id:1385 USDA_nutrient_nbr:783 material entity tangeretin concentration concentration of tangeretin in material entity The concentration of vitexin when measured in some material entity. material entity vitexin concentration concentration of vitexin in material entity The concentration of dihydroflavonols when measured in some material entity. material entity dihydroflavonols concentration concentration of dihydroflavonols in material entity The concentration of hydroxyflavan when measured in some material entity. material entity hydroxyflavan concentration concentration of hydroxyflavan in material entity The concentration of catechin when measured in some material entity. INFOODs:CATEC INFOODs:CATECT USDA_fdc_id:1363 USDA_fdc_id:1364 USDA_nutrient_nbr:748 USDA_nutrient_nbr:749 material entity catechin concentration concentration of catechin in material entity The concentration of (+)-catechin 3-O-gallate when measured in some material entity. material entity (+)-catechin 3-O-gallate concentration concentration of (+)-catechin 3-O-gallate in material entity The concentration of (+)-gallocatechin when measured in some material entity. INFOODs:GALCATEGC material entity (+)-gallocatechin concentration concentration of (+)-gallocatechin in material entity The concentration of (-)-epicatechin when measured in some material entity. INFOODs:EPICATEC material entity (-)-epicatechin concentration concentration of (-)-epicatechin in material entity The concentration of (+)-epicatechin when measured in some material entity. INFOODs:EPICATEC material entity (+)-epicatechin concentration concentration of (+)-epicatechin in material entity The concentration of (-)-gallocatechin when measured in some material entity. INFOODs:GALCATEGC material entity (-)-gallocatechin concentration concentration of (-)-gallocatechin in material entity The concentration of (-)-epicatechin-3-O-gallate when measured in some material entity. INFOODs:EPICATECG3 material entity (-)-epicatechin-3-O-gallate concentration concentration of (-)-epicatechin-3-O-gallate in material entity The concentration of (-)-epigallocatechin when measured in some material entity. INFOODs:EPICATEGC material entity (-)-epigallocatechin concentration concentration of (-)-epigallocatechin in material entity The concentration of 3'-O-methylepicatechin when measured in some material entity. material entity 3'-O-methylepicatechin concentration concentration of 3'-O-methylepicatechin in material entity The concentration of 4'-O-methylepigallocatechin-3-O-gallate when measured in some material entity. material entity 4'-O-methylepigallocatechin-3-O-gallate concentration concentration of 4'-O-methylepigallocatechin-3-O-gallate in material entity The concentration of 4'-O-methylepigallocatechin when measured in some material entity. material entity 4'-O-methylepigallocatechin concentration concentration of 4'-O-methylepigallocatechin in material entity The concentration of cinnamtannin A2 when measured in some material entity. material entity cinnamtannin A2 concentration concentration of cinnamtannin A2 in material entity The concentration of procyanidin when measured in some material entity. INFOODs:PROCYA material entity procyanidin concentration concentration of procyanidin in material entity The concentration of procyanidin B1 when measured in some material entity. material entity procyanidin B1 concentration concentration of procyanidin B1 in material entity The concentration of procyanidin B2 when measured in some material entity. material entity procyanidin B2 concentration concentration of procyanidin B2 in material entity The concentration of procyanidin B3 when measured in some material entity. material entity procyanidin B3 concentration concentration of procyanidin B3 in material entity The concentration of procyanidin B4 when measured in some material entity. material entity procyanidin B4 concentration concentration of procyanidin B4 in material entity The concentration of procyanidin B5 when measured in some material entity. material entity procyanidin B5 concentration concentration of procyanidin B5 in material entity The concentration of procyanidin B6 when measured in some material entity. material entity procyanidin B6 concentration concentration of procyanidin B6 in material entity The concentration of procyanidin C1 when measured in some material entity. material entity procyanidin C1 concentration concentration of procyanidin C1 in material entity The concentration of procyanidin C2 when measured in some material entity. material entity procyanidin C2 concentration concentration of procyanidin C2 in material entity The concentration of theaflavin when measured in some material entity. USDA_fdc_id:1370 USDA_nutrient_nbr:755 material entity theaflavin concentration concentration of theaflavin in material entity The concentration of peltogynoid when measured in some material entity. material entity peltogynoid concentration concentration of peltogynoid in material entity The concentration of dihydrochalcones when measured in some material entity. material entity dihydrochalcones concentration concentration of dihydrochalcones in material entity The concentration of 3-hydroxyphloretin 2'-O-xylosylglucoside when measured in some material entity. material entity 3-hydroxyphloretin 2'-O-xylosylglucoside concentration concentration of 3-hydroxyphloretin 2'-O-xylosylglucoside in material entity The concentration of phloretin when measured in some material entity. material entity phloretin concentration concentration of phloretin in material entity The concentration of phlorizin when measured in some material entity. material entity phlorizin concentration concentration of phlorizin in material entity The concentration of chalcones when measured in some material entity. material entity chalcones concentration concentration of chalcones in material entity The concentration of butein when measured in some material entity. material entity butein concentration concentration of butein in material entity The concentration of xanthohumol when measured in some material entity. material entity xanthohumol concentration concentration of xanthohumol in material entity The concentration of aurone when measured in some material entity. material entity aurone concentration concentration of aurone in material entity The concentration of anthocyanidin when measured in some material entity. INFOODs:ANTCYAN USDA_fdc_id:1348 USDA_nutrient_nbr:730 material entity anthocyanidin concentration concentration of anthocyanidin in material entity The concentration of cyanidin cation when measured in some material entity. INFOODs:CYAD USDA_fdc_id:1349 USDA_nutrient_nbr:731 material entity cyanidin cation concentration concentration of cyanidin cation in material entity The concentration of cyanidin 3-O-β-D-galactoside when measured in some material entity. material entity cyanidin 3-O-β-D-galactoside concentration concentration of cyanidin 3-O-β-D-galactoside in material entity The concentration of cyanidin 3-O-rutinoside when measured in some material entity. material entity cyanidin 3-O-rutinoside concentration concentration of cyanidin 3-O-rutinoside in material entity The concentration of cyanidin 3-O-β-D-sambubioside when measured in some material entity. material entity cyanidin 3-O-β-D-sambubioside concentration concentration of cyanidin 3-O-β-D-sambubioside in material entity The concentration of Cyanidin 3-O-sophoroside when measured in some material entity. material entity Cyanidin 3-O-sophoroside concentration concentration of Cyanidin 3-O-sophoroside in material entity The concentration of isopeonidin 3-rutinoside when measured in some material entity. material entity isopeonidin 3-rutinoside concentration concentration of isopeonidin 3-rutinoside in material entity The concentration of pelargonidin when measured in some material entity. USDA_fdc_id:1359 USDA_nutrient_nbr:743 material entity pelargonidin concentration concentration of pelargonidin in material entity The concentration of pelargonidin 3-O-rutinoside when measured in some material entity. material entity pelargonidin 3-O-rutinoside concentration concentration of pelargonidin 3-O-rutinoside in material entity The concentration of anthocyanin when measured in some material entity. material entity anthocyanin concentration concentration of anthocyanin in material entity The concentration of anthocyanin chlorides when measured in some material entity. material entity anthocyanin chlorides concentration concentration of anthocyanin chlorides in material entity The concentration of cyanidin 3-O-β-D-galactoside chloride when measured in some material entity. material entity cyanidin 3-O-β-D-galactoside chloride concentration concentration of cyanidin 3-O-β-D-galactoside chloride in material entity The concentration of cyanidin 3-O-rutinoside chloride when measured in some material entity. material entity cyanidin 3-O-rutinoside chloride concentration concentration of cyanidin 3-O-rutinoside chloride in material entity The concentration of cyanin chloride when measured in some material entity. material entity cyanin chloride concentration concentration of cyanin chloride in material entity The concentration of pelargonidin 3-O-β-D-glucoside chloride when measured in some material entity. material entity pelargonidin 3-O-β-D-glucoside chloride concentration concentration of pelargonidin 3-O-β-D-glucoside chloride in material entity The concentration of β-D-glucoside when measured in some material entity. material entity β-D-glucoside concentration concentration of β-D-glucoside in material entity The concentration of delphinidin 3-O-β-D-glucoside when measured in some material entity. material entity delphinidin 3-O-β-D-glucoside concentration concentration of delphinidin 3-O-β-D-glucoside in material entity The concentration of petunidin 3-O-β-D-glucoside when measured in some material entity. material entity petunidin 3-O-β-D-glucoside concentration concentration of petunidin 3-O-β-D-glucoside in material entity The concentration of malvidin 3-O-β-D-glucoside when measured in some material entity. material entity malvidin 3-O-β-D-glucoside concentration concentration of malvidin 3-O-β-D-glucoside in material entity The concentration of isoflavonoid when measured in some material entity. INFOODs:ISOFLVND material entity isoflavonoid concentration concentration of isoflavonoid in material entity The concentration of isoflavans when measured in some material entity. material entity isoflavans concentration concentration of isoflavans in material entity The concentration of isoflavanone when measured in some material entity. material entity isoflavanone concentration concentration of isoflavanone in material entity The concentration of isoflavones when measured in some material entity. USDA_fdc_id:1343 USDA_nutrient_nbr:713 material entity isoflavones concentration concentration of isoflavones in material entity The concentration of hydroxyisoflavone when measured in some material entity. material entity hydroxyisoflavone concentration concentration of hydroxyisoflavone in material entity The concentration of daidzein when measured in some material entity. INFOODs:DDZEIN USDA_fdc_id:1340 USDA_nutrient_nbr:710 material entity daidzein concentration concentration of daidzein in material entity The concentration of genistein when measured in some material entity. INFOODs:GNSTEIN USDA_fdc_id:1341 USDA_nutrient_nbr:711 material entity genistein concentration concentration of genistein in material entity The concentration of glycitein when measured in some material entity. INFOODs:GLYCTEIN USDA_fdc_id:1342 USDA_nutrient_nbr:712 material entity glycitein concentration concentration of glycitein in material entity The concentration of glucoside when measured in some material entity. material entity glucoside concentration concentration of glucoside in material entity The concentration of daidzein 7-O-β-D-glucoside when measured in some material entity. material entity daidzein 7-O-β-D-glucoside concentration concentration of daidzein 7-O-β-D-glucoside in material entity The concentration of genistein 7-O-β-D-glucoside when measured in some material entity. INFOODs:GNSTIN material entity genistein 7-O-β-D-glucoside concentration concentration of genistein 7-O-β-D-glucoside in material entity The concentration of glycitin when measured in some material entity. INFOODs:GLYCTN USDA_fdc_id:2051 USDA_nutrient_nbr:719 material entity glycitin concentration concentration of glycitin in material entity The concentration of glycosyloxyisoflavone when measured in some material entity. material entity glycosyloxyisoflavone concentration concentration of glycosyloxyisoflavone in material entity The concentration of malonyldaidzin when measured in some material entity. INFOODs:DAIDZNM material entity malonyldaidzin concentration concentration of malonyldaidzin in material entity The concentration of malonylgenistin when measured in some material entity. INFOODs:GNSTINM material entity malonylgenistin concentration concentration of malonylgenistin in material entity The concentration of malonylglycitin when measured in some material entity. INFOODs:GLYCTNM material entity malonylglycitin concentration concentration of malonylglycitin in material entity The concentration of glycitein 7-(6-O-acetyl-β-D-glucoside) when measured in some material entity. INFOODs:GLYCTNA material entity glycitein 7-(6-O-acetyl-β-D-glucoside) concentration concentration of glycitein 7-(6-O-acetyl-β-D-glucoside) in material entity The concentration of rotenoid when measured in some material entity. material entity rotenoid concentration concentration of rotenoid in material entity The concentration of coumestans when measured in some material entity. material entity coumestans concentration concentration of coumestans in material entity The concentration of coumestan when measured in some material entity. material entity coumestan concentration concentration of coumestan in material entity The concentration of coumestrol when measured in some material entity. INFOODs:COUMEST USDA_fdc_id:1346 USDA_nutrient_nbr:716 material entity coumestrol concentration concentration of coumestrol in material entity The concentration of 3-arylcoumarin when measured in some material entity. material entity 3-arylcoumarin concentration concentration of 3-arylcoumarin in material entity The concentration of pterocarpans when measured in some material entity. material entity pterocarpans concentration concentration of pterocarpans in material entity The concentration of pterocarpan when measured in some material entity. material entity pterocarpan concentration concentration of pterocarpan in material entity The concentration of (_)-phaseolin when measured in some material entity. material entity (_)-phaseolin concentration concentration of (_)-phaseolin in material entity The concentration of (+)-pisatin when measured in some material entity. material entity (+)-pisatin concentration concentration of (+)-pisatin in material entity The concentration of neoflavonoid when measured in some material entity. material entity neoflavonoid concentration concentration of neoflavonoid in material entity The concentration of biflavonoid when measured in some material entity. material entity biflavonoid concentration concentration of biflavonoid in material entity The concentration of phenylpropanoid when measured in some material entity. material entity phenylpropanoid concentration concentration of phenylpropanoid in material entity The concentration of lignan when measured in some material entity. INFOODs:LIGNANS material entity lignan concentration concentration of lignan in material entity 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. 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 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 The concentration of neolignan when measured in some material entity. material entity neolignan concentration concentration of neolignan in material entity The concentration of lignin when measured in some material entity. INFOODs:LIGN USDA_fdc_id:1080 USDA_nutrient_nbr:292 material entity lignin concentration concentration of lignin in material entity The concentration of Melanin when measured in some material entity. material entity Melanin concentration concentration of Melanin in material entity The concentration of catechol melanin when measured in some material entity. material entity catechol melanin concentration concentration of catechol melanin in material entity The concentration of allomelanin when measured in some material entity. material entity allomelanin concentration concentration of allomelanin in material entity The concentration of terpenoid when measured in some material entity. material entity terpenoid concentration concentration of terpenoid in material entity The concentration of monoterpenoid when measured in some material entity. material entity monoterpenoid concentration concentration of monoterpenoid in material entity The concentration of sesquiterpenoid when measured in some material entity. material entity sesquiterpenoid concentration concentration of sesquiterpenoid in material entity The concentration of diterpenoid when measured in some material entity. material entity diterpenoid concentration concentration of diterpenoid in material entity The concentration of xanthophyll when measured in some material entity. material entity xanthophyll concentration concentration of xanthophyll in material entity The concentration of zeaxanthin when measured in some material entity. INFOODs:ZEA USDA_fdc_id:1119 USDA_nutrient_nbr:338.2 material entity zeaxanthin concentration concentration of zeaxanthin in material entity The concentration of α-cryptoxanthin when measured in some material entity. INFOODs:CRYPXA USDA_fdc_id:2032 USDA_nutrient_nbr:335 material entity α-cryptoxanthin concentration concentration of α-cryptoxanthin in material entity The concentration of β-cryptoxanthin when measured in some material entity. USDA_fdc_id:1120 USDA_nutrient_nbr:334 material entity β-cryptoxanthin concentration concentration of β-cryptoxanthin in material entity The concentration of lutein when measured in some material entity. INFOODs:LUTN USDA_fdc_id:1121 USDA_nutrient_nbr:338.1 material entity lutein concentration concentration of lutein in material entity The concentration of phytoene when measured in some material entity. USDA_fdc_id:1116 USDA_nutrient_nbr:330 material entity phytoene concentration concentration of phytoene in material entity The concentration of neoxanthin when measured in some material entity. INFOODs:NEOX material entity neoxanthin concentration concentration of neoxanthin in material entity The concentration of violaxanthin when measured in some material entity. INFOODs:VIOLX material entity violaxanthin concentration concentration of violaxanthin in material entity The concentration of lycopene when measured in some material entity. INFOODs:LYCPN USDA_fdc_id:1122 USDA_nutrient_nbr:337 material entity lycopene concentration concentration of lycopene in material entity The concentration of 7,7',9,9'-tetra-cis-lycopene when measured in some material entity. USDA_fdc_id:1160 USDA_nutrient_nbr:337.1 material entity 7,7',9,9'-tetra-cis-lycopene concentration concentration of 7,7',9,9'-tetra-cis-lycopene in material entity The concentration of retinol when measured in some material entity. INFOODs:RETOL USDA_fdc_id:1105 USDA_nutrient_nbr:319 material entity retinol concentration concentration of retinol in material entity The concentration of triterpenoid when measured in some material entity. material entity triterpenoid concentration concentration of triterpenoid in material entity The concentration of organic acid when measured in some material entity. INFOODs:OA USDA_fdc_id:1025 USDA_nutrient_nbr:229 material entity organic acid concentration concentration of organic acid in material entity The concentration of acetic acid when measured in some material entity. INFOODs:ACEAC USDA_fdc_id:1026 USDA_nutrient_nbr:230 material entity acetic acid concentration concentration of acetic acid in material entity The concentration of citric acid when measured in some material entity. INFOODs:CITAC USDA_fdc_id:1032 USDA_nutrient_nbr:236 material entity citric acid concentration concentration of citric acid in material entity The concentration of 2-hydroxypropanoic acid when measured in some material entity. INFOODs:LACAC USDA_fdc_id:1038 USDA_nutrient_nbr:243 material entity 2-hydroxypropanoic acid concentration concentration of 2-hydroxypropanoic acid in material entity The concentration of (R)-lactic acid when measured in some material entity. INFOODs:LACACD USDA_fdc_id:1038 USDA_nutrient_nbr:244 material entity (R)-lactic acid concentration concentration of (R)-lactic acid in material entity The concentration of (S)-lactic acid when measured in some material entity. INFOODs:LACACL USDA_fdc_id:1038 USDA_nutrient_nbr:245 material entity (S)-lactic acid concentration concentration of (S)-lactic acid in material entity The concentration of malic acid when measured in some material entity. INFOODs:MALAC USDA_fdc_id:1039 USDA_nutrient_nbr:243 material entity malic acid concentration concentration of malic acid in material entity The concentration of malonic acid when measured in some material entity. material entity malonic acid concentration concentration of malonic acid in material entity The concentration of ascorbic acid when measured in some material entity. material entity ascorbic acid concentration concentration of ascorbic acid in material entity The concentration of L-dehydroascorbic acid when measured in some material entity. material entity L-dehydroascorbic acid concentration concentration of L-dehydroascorbic acid in material entity The concentration of oxalic acid when measured in some material entity. INFOODs:OXALAC USDA_fdc_id:1041 USDA_nutrient_nbr:245 material entity oxalic acid concentration concentration of oxalic acid in material entity The concentration of myo-inositol hexakisphosphate when measured in some material entity. INFOODs:IP6 material entity myo-inositol hexakisphosphate concentration concentration of myo-inositol hexakisphosphate in material entity The concentration of quinic acid when measured in some material entity. INFOODs:QUINAC USDA_fdc_id:1044 USDA_nutrient_nbr:248 material entity quinic acid concentration concentration of quinic acid in material entity The concentration of pyruvic acid when measured in some material entity. INFOODs:PYRAC USDA_fdc_id:1043 USDA_nutrient_nbr:247 material entity pyruvic acid concentration concentration of pyruvic acid in material entity The concentration of shikimic acid when measured in some material entity. INFOODs:SHIKAC material entity shikimic acid concentration concentration of shikimic acid in material entity The concentration of succinic acid when measured in some material entity. INFOODs:SUCAC USDA_fdc_id:1046 USDA_nutrient_nbr:250 material entity succinic acid concentration concentration of succinic acid in material entity The concentration of tartaric acid when measured in some material entity. INFOODs:TARAC USDA_fdc_id:1047 USDA_fdc_id:1048 USDA_nutrient_nbr:251 USDA_nutrient_nbr:252 material entity tartaric acid concentration concentration of tartaric acid in material entity The concentration of isocitric acid when measured in some material entity. INFOODs:ISOCAC USDA_fdc_id:1037 USDA_nutrient_nbr:241 material entity isocitric acid concentration concentration of isocitric acid in material entity The concentration of oxaloacetic acid when measured in some material entity. INFOODs:OXACAC USDA_fdc_id:1040 USDA_nutrient_nbr:244 material entity oxaloacetic acid concentration concentration of oxaloacetic acid in material entity The concentration of inositol when measured in some material entity. INFOODs:INOTL USDA_fdc_id:1181 USDA_nutrient_nbr:422 material entity inositol concentration concentration of inositol in material entity The concentration of taurine when measured in some material entity. USDA_fdc_id:1234 USDA_nutrient_nbr:529 material entity taurine concentration concentration of taurine in material entity The concentration of glycine betaine when measured in some material entity. INFOODs:BETN material entity glycine betaine concentration concentration of glycine betaine in material entity The concentration of polyol when measured in some material entity. INFOODs:POLYL material entity polyol concentration concentration of polyol in material entity The concentration of mannitol when measured in some material entity. INFOODs:MANTL USDA_fdc_id:1055 USDA_nutrient_nbr:260 material entity mannitol concentration concentration of mannitol in material entity The concentration of xylitol when measured in some material entity. INFOODs:XYLTL USDA_fdc_id:1078 USDA_nutrient_nbr:290 material entity xylitol concentration concentration of xylitol in material entity The concentration of glucitol when measured in some material entity. material entity glucitol concentration concentration of glucitol in material entity The concentration of choline when measured in some material entity. INFOODs:CHOLN INFOODs:CHOLNF USDA_fdc_id:1180 USDA_fdc_id:1194 USDA_nutrient_nbr:421 USDA_nutrient_nbr:450 material entity choline concentration concentration of choline in material entity The concentration of polyunsaturated fatty acid when measured in some material entity. INFOODs:FAPU INFOODs:FAPULC USDA_fdc_id:1293 USDA_nutrient_nbr:646 material entity polyunsaturated fatty acid concentration concentration of polyunsaturated fatty acid in material entity The concentration of glucomannan when measured in some material entity. INFOODs:GLUMN INFOODs:GLUMNM material entity glucomannan concentration concentration of glucomannan in material entity The concentration of glycerol when measured in some material entity. INFOODs:GLYRL material entity glycerol concentration concentration of glycerol in material entity The concentration of triglyceride when measured in some material entity. material entity triglyceride concentration concentration of triglyceride in material entity The concentration of xyloglucan when measured in some material entity. material entity xyloglucan concentration concentration of xyloglucan in material entity The concentration of arabinan when measured in some material entity. INFOODs:ARAN material entity arabinan concentration concentration of arabinan in material entity The concentration of galacturonan when measured in some material entity. material entity galacturonan concentration concentration of galacturonan in material entity The concentration of monounsaturated fatty acid when measured in some material entity. USDA_fdc_id:1292 USDA_nutrient_nbr:645 material entity monounsaturated fatty acid concentration concentration of monounsaturated fatty acid in material entity The concentration of rhamnogalacturonan when measured in some material entity. material entity rhamnogalacturonan concentration concentration of rhamnogalacturonan in material entity The concentration of saturated fatty acid when measured in some material entity. INFOODs:FASAT USDA_fdc_id:1258 USDA_nutrient_nbr:606 material entity saturated fatty acid concentration concentration of saturated fatty acid in material entity The concentration of galactomannan when measured in some material entity. INFOODs:GALMN INFOODs:GALMNM material entity galactomannan concentration concentration of galactomannan in material entity The concentration of amylopectin when measured in some material entity. INFOODs:AMYP USDA_fdc_id:1016 USDA_nutrient_nbr:219 material entity amylopectin concentration concentration of amylopectin in material entity The concentration of amylose when measured in some material entity. INFOODs:AMYS USDA_fdc_id:1015 USDA_nutrient_nbr:218 material entity amylose concentration concentration of amylose in material entity The concentration of arabinoxylan when measured in some material entity. material entity arabinoxylan concentration concentration of arabinoxylan in material entity The concentration of mannan when measured in some material entity. INFOODs:MANN material entity mannan concentration concentration of mannan in material entity The concentration of amino acid when measured in some material entity. USDA_fdc_id:2042 USDA_nutrient_nbr:500 material entity amino acid concentration concentration of amino acid in material entity The concentration of fatty acid when measured in some material entity. material entity fatty acid concentration concentration of fatty acid in material entity The concentration of galactan when measured in some material entity. INFOODs:GALTN material entity galactan concentration concentration of galactan in material entity The concentration of xylan when measured in some material entity. INFOODs:XYLN material entity xylan concentration concentration of xylan in material entity The concentration of glucan when measured in some material entity. material entity glucan concentration concentration of glucan in material entity The concentration of amylopectin derived from starch when measured in some material entity. INFOODs:AMYP material entity amylopectin derived from starch concentration concentration of amylopectin derived from starch in material entity The concentration of amylose derived from starch when measured in some material entity. INFOODs:AMYS material entity amylose derived from starch concentration concentration of amylose derived from starch in material entity The concentration of galacturonan derived from pectin when measured in some material entity. material entity galacturonan derived from pectin concentration concentration of galacturonan derived from pectin in material entity The concentration of rhamnogalacturonan derived from pectin when measured in some material entity. material entity rhamnogalacturonan derived from pectin concentration concentration of rhamnogalacturonan derived from pectin in material entity The concentration of mannan derived from hemicellulose when measured in some material entity. INFOODs:MANN material entity mannan derived from hemicellulose concentration concentration of mannan derived from hemicellulose in material entity The concentration of xylan derived from hemicellulose when measured in some material entity. INFOODs:XYLN material entity xylan derived from hemicellulose concentration concentration of xylan derived from hemicellulose in material entity The concentration of xyloglucan derived from hemicellulose when measured in some material entity. material entity xyloglucan derived from hemicellulose concentration concentration of xyloglucan derived from hemicellulose in material entity The concentration of glucomannan derived from hemicellulose when measured in some material entity. INFOODs:GLUMNM material entity glucomannan derived from hemicellulose concentration concentration of glucomannan derived from hemicellulose in material entity The concentration of arabinoxylan derived from hemicellulose when measured in some material entity. material entity arabinoxylan derived from hemicellulose concentration concentration of arabinoxylan derived from hemicellulose in material entity The concentration of fructan derived from hemicellulose when measured in some material entity. INFOODs:FRUTN material entity fructan derived from hemicellulose concentration concentration of fructan derived from hemicellulose in material entity The concentration of arabinan derived from hemicellulose when measured in some material entity. INFOODs:ARAN material entity arabinan derived from hemicellulose concentration concentration of arabinan derived from hemicellulose in material entity The concentration of galactomannan derived from hemicellulose when measured in some material entity. INFOODs:GALMN material entity galactomannan derived from hemicellulose concentration concentration of galactomannan derived from hemicellulose in material entity The concentration of galactan derived from hemicellulose when measured in some material entity. INFOODs:GALTN material entity galactan derived from hemicellulose concentration concentration of galactan derived from hemicellulose in material entity The concentration of glucose derived from amylopectin derived from starch when measured in some material entity. INFOODs:GLUS USDA_fdc_id:1011 USDA_nutrient_nbr:211 material entity glucose derived from amylopectin derived from starch concentration concentration of glucose derived from amylopectin derived from starch in material entity The concentration of glucose derived from amylose derived from starch when measured in some material entity. INFOODs:GLUS USDA_fdc_id:1011 USDA_nutrient_nbr:211 material entity glucose derived from amylose derived from starch concentration concentration of glucose derived from amylose derived from starch in material entity The concentration of glucose derived from sucrose when measured in some material entity. INFOODs:GLUS USDA_fdc_id:1011 USDA_nutrient_nbr:211 material entity glucose derived from sucrose concentration concentration of glucose derived from sucrose in material entity The concentration of fructose derived from sucrose when measured in some material entity. INFOODs:FRUS USDA_fdc_id:1012 USDA_nutrient_nbr:212 material entity fructose derived from sucrose concentration concentration of fructose derived from sucrose in material entity The concentration of glucose derived from maltose when measured in some material entity. INFOODs:GLUS USDA_fdc_id:1011 USDA_nutrient_nbr:211 material entity glucose derived from maltose concentration concentration of glucose derived from maltose in material entity The concentration of galacturonic acid derived from galacturonan derived from pectin when measured in some material entity. INFOODs:GALAAC material entity galacturonic acid derived from galacturonan derived from pectin concentration concentration of galacturonic acid derived from galacturonan derived from pectin in material entity The concentration of rhamnose derived from rhamnogalacturonan derived from pectin when measured in some material entity. INFOODs:RHAS material entity rhamnose derived from rhamnogalacturonan derived from pectin concentration concentration of rhamnose derived from rhamnogalacturonan derived from pectin in material entity The concentration of D-apiose derived from rhamnogalacturonan derived from pectin when measured in some material entity. material entity D-apiose derived from rhamnogalacturonan derived from pectin concentration concentration of D-apiose derived from rhamnogalacturonan derived from pectin in material entity The concentration of galacturonic acid derived from rhamnogalacturonan derived from pectin when measured in some material entity. INFOODs:GALAAC material entity galacturonic acid derived from rhamnogalacturonan derived from pectin concentration concentration of galacturonic acid derived from rhamnogalacturonan derived from pectin in material entity The concentration of fucose derived from rhamnogalacturonan derived from pectin when measured in some material entity. INFOODs:FUCOS material entity fucose derived from rhamnogalacturonan derived from pectin concentration concentration of fucose derived from rhamnogalacturonan derived from pectin in material entity The concentration of xylose derived from rhamnogalacturonan derived from pectin when measured in some material entity. INFOODs:XYLFB material entity xylose derived from rhamnogalacturonan derived from pectin concentration concentration of xylose derived from rhamnogalacturonan derived from pectin in material entity The concentration of arabinose derived from rhamnogalacturonan derived from pectin when measured in some material entity. INFOODs:ARAS material entity arabinose derived from rhamnogalacturonan derived from pectin concentration concentration of arabinose derived from rhamnogalacturonan derived from pectin in material entity The concentration of galactose derived from rhamnogalacturonan derived from pectin when measured in some material entity. INFOODs:GALS USDA_fdc_id:1075 USDA_nutrient_nbr:287 material entity galactose derived from rhamnogalacturonan derived from pectin concentration concentration of galactose derived from rhamnogalacturonan derived from pectin in material entity The concentration of raffinose derived from raffinose family oligosaccharide when measured in some material entity. INFOODs:RAFS material entity raffinose derived from raffinose family oligosaccharide concentration concentration of raffinose derived from raffinose family oligosaccharide in material entity The concentration of galactose derived from raffinose derived from raffinose family oligosaccharide when measured in some material entity. INFOODs:GALS USDA_fdc_id:1075 USDA_nutrient_nbr:287 material entity galactose derived from raffinose derived from raffinose family oligosaccharide concentration concentration of galactose derived from raffinose derived from raffinose family oligosaccharide in material entity The concentration of glucose derived from raffinose derived from raffinose family oligosaccharide when measured in some material entity. INFOODs:GLUS USDA_fdc_id:1011 USDA_nutrient_nbr:211 material entity glucose derived from raffinose derived from raffinose family oligosaccharide concentration concentration of glucose derived from raffinose derived from raffinose family oligosaccharide in material entity The concentration of fructose derived from raffinose derived from raffinose family oligosaccharide when measured in some material entity. INFOODs:FRUS USDA_fdc_id:1012 USDA_nutrient_nbr:212 material entity fructose derived from raffinose derived from raffinose family oligosaccharide concentration concentration of fructose derived from raffinose derived from raffinose family oligosaccharide in material entity The concentration of stachyose derived from raffinose family oligosaccharide when measured in some material entity. INFOODs:STAS material entity stachyose derived from raffinose family oligosaccharide concentration concentration of stachyose derived from raffinose family oligosaccharide in material entity The concentration of galactose derived from stachyose derived from raffinose family oligosaccharide when measured in some material entity. INFOODs:GALS USDA_fdc_id:1075 USDA_nutrient_nbr:287 material entity galactose derived from stachyose derived from raffinose family oligosaccharide concentration concentration of galactose derived from stachyose derived from raffinose family oligosaccharide in material entity The concentration of glucose derived from stachyose derived from raffinose family oligosaccharide when measured in some material entity. INFOODs:GLUS USDA_fdc_id:1011 USDA_nutrient_nbr:211 material entity glucose derived from stachyose derived from raffinose family oligosaccharide concentration concentration of glucose derived from stachyose derived from raffinose family oligosaccharide in material entity The concentration of fructose derived from stachyose derived from raffinose family oligosaccharide when measured in some material entity. INFOODs:FRUS USDA_fdc_id:1012 USDA_nutrient_nbr:212 material entity fructose derived from stachyose derived from raffinose family oligosaccharide concentration concentration of fructose derived from stachyose derived from raffinose family oligosaccharide in material entity The concentration of verbascose derived from rraffinose family oligosaccharide when measured in some material entity. INFOODs:VERS material entity verbascose derived from rraffinose family oligosaccharide concentration concentration of verbascose derived from rraffinose family oligosaccharide in material entity The concentration of galactose derived from verbascose derived from raffinose family oligosaccharide when measured in some material entity. INFOODs:GALS USDA_fdc_id:1075 USDA_nutrient_nbr:287 material entity galactose derived from verbascose derived from raffinose family oligosaccharide concentration concentration of galactose derived from verbascose derived from raffinose family oligosaccharide in material entity The concentration of glucose derived from verbascose derived from raffinose family oligosaccharide when measured in some material entity. INFOODs:GLUS USDA_fdc_id:1011 USDA_nutrient_nbr:211 material entity glucose derived from verbascose derived from raffinose family oligosaccharide concentration concentration of glucose derived from verbascose derived from raffinose family oligosaccharide in material entity The concentration of fructose derived from verbascose derived from raffinose family oligosaccharide when measured in some material entity. INFOODs:FRUS USDA_fdc_id:1012 USDA_nutrient_nbr:212 material entity fructose derived from verbascose derived from raffinose family oligosaccharide concentration concentration of fructose derived from verbascose derived from raffinose family oligosaccharide in material entity The concentration of glucose derived from cellulose when measured in some material entity. INFOODs:GLUFB USDA_fdc_id:1011 USDA_nutrient_nbr:211 material entity glucose derived from cellulose concentration concentration of glucose derived from cellulose in material entity The concentration of mannose derived from mannan derived from hemicellulose when measured in some material entity. INFOODs:MANFB material entity mannose derived from mannan derived from hemicellulose concentration concentration of mannose derived from mannan derived from hemicellulose in material entity The concentration of glucose derived from xylan derived from hemicellulose when measured in some material entity. INFOODs:GLUFB USDA_fdc_id:1011 USDA_nutrient_nbr:211 material entity glucose derived from xylan derived from hemicellulose concentration concentration of glucose derived from xylan derived from hemicellulose in material entity The concentration of xylose derived from xylan derived from hemicellulose when measured in some material entity. INFOODs:XYLFB material entity xylose derived from xylan derived from hemicellulose concentration concentration of xylose derived from xylan derived from hemicellulose in material entity The concentration of glucose derived from xyloglucan derived from hemicellulose when measured in some material entity. INFOODs:GLUFB USDA_fdc_id:1011 USDA_nutrient_nbr:211 material entity glucose derived from xyloglucan derived from hemicellulose concentration concentration of glucose derived from xyloglucan derived from hemicellulose in material entity The concentration of xylose derived from xyloglucan derived from hemicellulose when measured in some material entity. INFOODs:XYLFB material entity xylose derived from xyloglucan derived from hemicellulose concentration concentration of xylose derived from xyloglucan derived from hemicellulose in material entity The concentration of glucose derived from glucomannan derived from hemicellulose when measured in some material entity. INFOODs:GLUFB USDA_fdc_id:1011 USDA_nutrient_nbr:211 material entity glucose derived from glucomannan derived from hemicellulose concentration concentration of glucose derived from glucomannan derived from hemicellulose in material entity The concentration of mannose derived from glucomannan derived from hemicellulose when measured in some material entity. INFOODs:MANFB material entity mannose derived from glucomannan derived from hemicellulose concentration concentration of mannose derived from glucomannan derived from hemicellulose in material entity The concentration of arabinose derived from arabinoxylan derived from hemicellulose when measured in some material entity. INFOODs:ARAFB material entity arabinose derived from arabinoxylan derived from hemicellulose concentration concentration of arabinose derived from arabinoxylan derived from hemicellulose in material entity The concentration of xylose derived from arabinoxylan derived from hemicellulose when measured in some material entity. INFOODs:XYLFB material entity xylose derived from arabinoxylan derived from hemicellulose concentration concentration of xylose derived from arabinoxylan derived from hemicellulose in material entity The concentration of inulin derived from fructan when measured in some material entity. INFOODs:INULN USDA_fdc_id:1403 USDA_nutrient_nbr:806 material entity inulin derived from fructan concentration concentration of inulin derived from fructan in material entity The concentration of fructose derived from inulin derived from fructan when measured in some material entity. INFOODs:FRUS USDA_fdc_id:1012 USDA_nutrient_nbr:212 material entity fructose derived from inulin derived from fructan concentration concentration of fructose derived from inulin derived from fructan in material entity The concentration of amino acid derived from protein when measured in some material entity. material entity amino acid derived from protein concentration concentration of amino acid derived from protein in material entity The concentration of isoprenoid when measured in some material entity. material entity isoprenoid concentration concentration of isoprenoid in material entity The concentration of terpene when measured in some material entity. material entity terpene concentration concentration of terpene in material entity The concentration of tetraterpene when measured in some material entity. material entity tetraterpene concentration concentration of tetraterpene in material entity The concentration of carotene when measured in some material entity. USDA_fdc_id:1157 USDA_nutrient_nbr:393 material entity carotene concentration concentration of carotene in material entity The concentration of tetraterpenoid when measured in some material entity. material entity tetraterpenoid concentration concentration of tetraterpenoid in material entity The concentration of methylmercury compound when measured in some material entity. material entity methylmercury compound concentration concentration of methylmercury compound in material entity The concentration of thiamine hydrochloride when measured in some material entity. INFOODs:THIAHCL material entity thiamine hydrochloride concentration concentration of thiamine hydrochloride in material entity The concentration of vitamin B2 when measured in some material entity. material entity vitamin B2 concentration concentration of vitamin B2 in material entity The concentration of vitamin B3 when measured in some material entity. USDA_fdc_id:1167 USDA_nutrient_nbr:406 material entity vitamin B3 concentration concentration of vitamin B3 in material entity The concentration of vitamin B5 when measured in some material entity. material entity vitamin B5 concentration concentration of vitamin B5 in material entity The concentration of vitamin B6 when measured in some material entity. INFOODs:VITB6- USDA_fdc_id:1175 USDA_nutrient_nbr:415 material entity vitamin B6 concentration concentration of vitamin B6 in material entity The concentration of vitamin B7 when measured in some material entity. material entity vitamin B7 concentration concentration of vitamin B7 in material entity The concentration of vitamin B9 when measured in some material entity. USDA_fdc_id:1177 USDA_fdc_id:1187 USDA_nutrient_nbr:417 USDA_nutrient_nbr:432 material entity vitamin B9 concentration concentration of vitamin B9 in material entity The concentration of tetrahydrofolate when measured in some material entity. INFOODs:FOLH4 material entity tetrahydrofolate concentration concentration of tetrahydrofolate in material entity The concentration of vitamin B12 when measured in some material entity. INFOODs:VITB12 USDA_fdc_id:1178 USDA_nutrient_nbr:418 material entity vitamin B12 concentration concentration of vitamin B12 in material entity The concentration of all-trans-retinol when measured in some material entity. material entity all-trans-retinol concentration concentration of all-trans-retinol in material entity The concentration of D3 vitamins when measured in some material entity. USDA_fdc_id:1112 USDA_nutrient_nbr:326 material entity D3 vitamins concentration concentration of D3 vitamins in material entity The concentration of calciol when measured in some material entity. material entity calciol concentration concentration of calciol in material entity The concentration of vitamin D2 when measured in some material entity. material entity vitamin D2 concentration concentration of vitamin D2 in material entity The concentration of vitamin D4 when measured in some material entity. USDA_fdc_id:1111 USDA_nutrient_nbr:325 material entity vitamin D4 concentration concentration of vitamin D4 in material entity The concentration of vitamin D5 when measured in some material entity. USDA_fdc_id:2059 material entity vitamin D5 concentration concentration of vitamin D5 in material entity The concentration of menadione when measured in some material entity. material entity menadione concentration concentration of menadione in material entity The concentration of menaquinone when measured in some material entity. INFOODs:MK4 INFOODs:MK5 INFOODs:MK6 INFOODs:MK7 INFOODs:MK8 INFOODs:MK9 USDA_fdc_id:1183 USDA_nutrient_nbr:428 material entity menaquinone concentration concentration of menaquinone in material entity The concentration of phylloquinone when measured in some material entity. USDA_fdc_id:1185 USDA_nutrient_nbr:430 material entity phylloquinone concentration concentration of phylloquinone in material entity The concentration of dietary calcium when measured in some material entity. USDA_fdc_id:1087 USDA_nutrient_nbr:301 material entity dietary calcium concentration concentration of dietary calcium in material entity The concentration of inorganic calcium salt when measured in some material entity. material entity inorganic calcium salt concentration concentration of inorganic calcium salt in material entity The concentration of calcium dichloride when measured in some material entity. material entity calcium dichloride concentration concentration of calcium dichloride in material entity The concentration of calcium carbonate when measured in some material entity. material entity calcium carbonate concentration concentration of calcium carbonate in material entity The concentration of calcium difluoride when measured in some material entity. material entity calcium difluoride concentration concentration of calcium difluoride in material entity The concentration of calcium sulfate when measured in some material entity. material entity calcium sulfate concentration concentration of calcium sulfate in material entity The concentration of calcium phosphate when measured in some material entity. material entity calcium phosphate concentration concentration of calcium phosphate in material entity The concentration of calcium hydroxide when measured in some material entity. material entity calcium hydroxide concentration concentration of calcium hydroxide in material entity The concentration of calcium hypochlorite when measured in some material entity. material entity calcium hypochlorite concentration concentration of calcium hypochlorite in material entity The concentration of calcium silicate when measured in some material entity. material entity calcium silicate concentration concentration of calcium silicate in material entity The concentration of organic calcium salt when measured in some material entity. material entity organic calcium salt concentration concentration of organic calcium salt in material entity The concentration of calcium citrate when measured in some material entity. material entity calcium citrate concentration concentration of calcium citrate in material entity The concentration of calcium glycerophosphate when measured in some material entity. material entity calcium glycerophosphate concentration concentration of calcium glycerophosphate in material entity The concentration of calcium stearate when measured in some material entity. material entity calcium stearate concentration concentration of calcium stearate in material entity The concentration of organic calcium compound when measured in some material entity. material entity organic calcium compound concentration concentration of organic calcium compound in material entity The concentration of dietary chlorine when measured in some material entity. USDA_fdc_id:1088 USDA_nutrient_nbr:302 material entity dietary chlorine concentration concentration of dietary chlorine in material entity The concentration of inorganic chloride when measured in some material entity. material entity inorganic chloride concentration concentration of inorganic chloride in material entity OBSOLETE. The concentration of sodium chloride when measured in some material entity. The equivalency statement has been duplicated material entity sodium chloride concentration obsolete concentration of sodium chloride in material entity true OBSOLETE. The concentration of calcium dichloride when measured in some material entity. The equivalency statement has been duplicated material entity calcium dichloride concentration obsolete concentration of calcium dichloride in material entity true The concentration of magnesium dichloride when measured in some material entity. material entity magnesium dichloride concentration concentration of magnesium dichloride in material entity The concentration of potassium chloride when measured in some material entity. material entity potassium chloride concentration concentration of potassium chloride in material entity The concentration of lithium chloride when measured in some material entity. material entity lithium chloride concentration concentration of lithium chloride in material entity The concentration of organic chloride salt when measured in some material entity. material entity organic chloride salt concentration concentration of organic chloride salt in material entity The concentration of organochlorine compound when measured in some material entity. material entity organochlorine compound concentration concentration of organochlorine compound in material entity The concentration of hydrogen chloride when measured in some material entity. material entity hydrogen chloride concentration concentration of hydrogen chloride in material entity The concentration of hypochlorite when measured in some material entity. material entity hypochlorite concentration concentration of hypochlorite in material entity The concentration of dietary magnesium when measured in some material entity. USDA_fdc_id:1090 USDA_nutrient_nbr:304 material entity dietary magnesium concentration concentration of dietary magnesium in material entity The concentration of inorganic magnesium salt when measured in some material entity. material entity inorganic magnesium salt concentration concentration of inorganic magnesium salt in material entity OBSOLETE. The concentration of magnesium dichloride when measured in some material entity. The equivalency statement has been duplicated material entity magnesium dichloride concentration obsolete concentration of magnesium dichloride in material entity true The concentration of magnesium phosphate when measured in some material entity. material entity magnesium phosphate concentration concentration of magnesium phosphate in material entity The concentration of magnesium hydroxide when measured in some material entity. material entity magnesium hydroxide concentration concentration of magnesium hydroxide in material entity The concentration of organic magnesium salt when measured in some material entity. material entity organic magnesium salt concentration concentration of organic magnesium salt in material entity The concentration of magnesium distearate when measured in some material entity. material entity magnesium distearate concentration concentration of magnesium distearate in material entity The concentration of magnesium carbonate when measured in some material entity. material entity magnesium carbonate concentration concentration of magnesium carbonate in material entity The concentration of dietary phosphorus when measured in some material entity. USDA_fdc_id:1091 USDA_nutrient_nbr:305 material entity dietary phosphorus concentration concentration of dietary phosphorus in material entity The concentration of phosphoric acid when measured in some material entity. material entity phosphoric acid concentration concentration of phosphoric acid in material entity The concentration of inorganic phosphate salt when measured in some material entity. material entity inorganic phosphate salt concentration concentration of inorganic phosphate salt in material entity The concentration of sodium phosphate when measured in some material entity. material entity sodium phosphate concentration concentration of sodium phosphate in material entity The concentration of tripotassium phosphate when measured in some material entity. material entity tripotassium phosphate concentration concentration of tripotassium phosphate in material entity The concentration of iron(3+) phosphate when measured in some material entity. material entity iron(3+) phosphate concentration concentration of iron(3+) phosphate in material entity The concentration of organic phosphate salt when measured in some material entity. material entity organic phosphate salt concentration concentration of organic phosphate salt in material entity The concentration of organic phosphate compound when measured in some material entity. material entity organic phosphate compound concentration concentration of organic phosphate compound in material entity OBSOLETE. The concentration of lysophosphatidylcholine when measured in some material entity. The equivalency statement has been duplicated material entity lysophosphatidylcholine concentration obsolete concentration of lysophosphatidylcholine in material entity true OBSOLETE. The concentration of phosphatidylcholine when measured in some material entity. The equivalency statement has been duplicated material entity phosphatidylcholine concentration obsolete concentration of phosphatidylcholine in material entity true OBSOLETE. The concentration of phosphatidylethanolamine when measured in some material entity. The equivalency statement has been duplicated material entity phosphatidylethanolamine concentration obsolete concentration of phosphatidylethanolamine in material entity true OBSOLETE. The concentration of phosphatidylinositol when measured in some material entity. The equivalency statement has been duplicated material entity phosphatidylinositol concentration obsolete concentration of phosphatidylinositol in material entity true The concentration of 3-sn-phosphatidyl-L-serine when measured in some material entity. material entity 3-sn-phosphatidyl-L-serine concentration concentration of 3-sn-phosphatidyl-L-serine in material entity OBSOLETE. The concentration of myo-inositol hexakisphosphate when measured in some material entity. The equivalency statement has been duplicated material entity myo-inositol hexakisphosphate concentration obsolete concentration of myo-inositol hexakisphosphate in material entity true The concentration of dietary potassium when measured in some material entity. USDA_fdc_id:1092 USDA_nutrient_nbr:306 material entity dietary potassium concentration concentration of dietary potassium in material entity The concentration of inorganic potassium salt when measured in some material entity. material entity inorganic potassium salt concentration concentration of inorganic potassium salt in material entity The concentration of potassium sulfate when measured in some material entity. material entity potassium sulfate concentration concentration of potassium sulfate in material entity The concentration of organic potassium salt when measured in some material entity. material entity organic potassium salt concentration concentration of organic potassium salt in material entity The concentration of potassium formate when measured in some material entity. material entity potassium formate concentration concentration of potassium formate in material entity The concentration of potassium bitartrate when measured in some material entity. material entity potassium bitartrate concentration concentration of potassium bitartrate in material entity The concentration of dietary sodium when measured in some material entity. USDA_fdc_id:1093 USDA_nutrient_nbr:307 material entity dietary sodium concentration concentration of dietary sodium in material entity The concentration of inorganic sodium salt when measured in some material entity. material entity inorganic sodium salt concentration concentration of inorganic sodium salt in material entity OBSOLETE. The concentration of sodium chloride when measured in some material entity. The equivalency statement has been duplicated material entity sodium chloride concentration obsolete concentration of sodium chloride in material entity true The concentration of sodium hydrogencarbonate when measured in some material entity. material entity sodium hydrogencarbonate concentration concentration of sodium hydrogencarbonate in material entity The concentration of sodium sulfate when measured in some material entity. material entity sodium sulfate concentration concentration of sodium sulfate in material entity The concentration of sodium hydrogensulfite when measured in some material entity. material entity sodium hydrogensulfite concentration concentration of sodium hydrogensulfite in material entity The concentration of sodium borohydride when measured in some material entity. material entity sodium borohydride concentration concentration of sodium borohydride in material entity The concentration of sodium bromate when measured in some material entity. material entity sodium bromate concentration concentration of sodium bromate in material entity The concentration of sodium chlorate when measured in some material entity. material entity sodium chlorate concentration concentration of sodium chlorate in material entity The concentration of sodium cyanide when measured in some material entity. material entity sodium cyanide concentration concentration of sodium cyanide in material entity The concentration of sodium fluoride when measured in some material entity. material entity sodium fluoride concentration concentration of sodium fluoride in material entity The concentration of sodium hydroxide when measured in some material entity. material entity sodium hydroxide concentration concentration of sodium hydroxide in material entity The concentration of Sodium iodate when measured in some material entity. material entity Sodium iodate concentration concentration of Sodium iodate in material entity The concentration of sodium nitrate when measured in some material entity. material entity sodium nitrate concentration concentration of sodium nitrate in material entity The concentration of organic sodium salt when measured in some material entity. material entity organic sodium salt concentration concentration of organic sodium salt in material entity The concentration of sodium oxalate when measured in some material entity. material entity sodium oxalate concentration concentration of sodium oxalate in material entity The concentration of sodium L-tartrate when measured in some material entity. material entity sodium L-tartrate concentration concentration of sodium L-tartrate in material entity The concentration of sodium formate when measured in some material entity. material entity sodium formate concentration concentration of sodium formate in material entity The concentration of sodium phenolate when measured in some material entity. material entity sodium phenolate concentration concentration of sodium phenolate in material entity The concentration of sodium citrate when measured in some material entity. material entity sodium citrate concentration concentration of sodium citrate in material entity The concentration of dietary sulfur when measured in some material entity. USDA_fdc_id:1094 USDA_nutrient_nbr:308 material entity dietary sulfur concentration concentration of dietary sulfur in material entity The concentration of sulfite when measured in some material entity. material entity sulfite concentration concentration of sulfite in material entity The concentration of inorganic sulfate salt when measured in some material entity. material entity inorganic sulfate salt concentration concentration of inorganic sulfate salt in material entity The concentration of magnesium sulfate when measured in some material entity. material entity magnesium sulfate concentration concentration of magnesium sulfate in material entity The concentration of iron(2+) sulfate (anhydrous) when measured in some material entity. material entity iron(2+) sulfate (anhydrous) concentration concentration of iron(2+) sulfate (anhydrous) in material entity OBSOLETE. The concentration of sodium hydrogensulfite when measured in some material entity. The equivalency statement has been duplicated material entity sodium hydrogensulfite concentration obsolete concentration of sodium hydrogensulfite in material entity true The concentration of copper(II) sulfate when measured in some material entity. material entity copper(II) sulfate concentration concentration of copper(II) sulfate in material entity The concentration of organic sulfate when measured in some material entity. material entity organic sulfate concentration concentration of organic sulfate in material entity The concentration of organosulfur compound when measured in some material entity. material entity organosulfur compound concentration concentration of organosulfur compound in material entity The concentration of thiol when measured in some material entity. material entity thiol concentration concentration of thiol in material entity The concentration of glutathione when measured in some material entity. USDA_fdc_id:2069 USDA_nutrient_nbr:961 material entity glutathione concentration concentration of glutathione in material entity The concentration of sulfonyldimethane when measured in some material entity. material entity sulfonyldimethane concentration concentration of sulfonyldimethane in material entity The concentration of dimethyl sulfoxide when measured in some material entity. material entity dimethyl sulfoxide concentration concentration of dimethyl sulfoxide in material entity OBSOLETE. The concentration of cysteine when measured in some material entity. The equivalency statement has been duplicated USDA_fdc_id:1232 USDA_nutrient_nbr:526 material entity cysteine concentration obsolete concentration of cysteine in material entity true OBSOLETE. The concentration of methionine when measured in some material entity. The equivalency statement has been duplicated USDA_fdc_id:1215 USDA_nutrient_nbr:506 material entity methionine concentration obsolete concentration of methionine in material entity true The concentration of glycosinolate when measured in some material entity. material entity glycosinolate concentration concentration of glycosinolate in material entity The concentration of sinigrin when measured in some material entity. material entity sinigrin concentration concentration of sinigrin in material entity The concentration of isothiocyanate when measured in some material entity. material entity isothiocyanate concentration concentration of isothiocyanate in material entity The concentration of allyl isothiocyanate when measured in some material entity. material entity allyl isothiocyanate concentration concentration of allyl isothiocyanate in material entity The concentration of sulfur dioxide when measured in some material entity. material entity sulfur dioxide concentration concentration of sulfur dioxide in material entity The concentration of dietary chromium when measured in some material entity. USDA_fdc_id:1096 USDA_nutrient_nbr:310 material entity dietary chromium concentration concentration of dietary chromium in material entity The concentration of inorganic chromium salt when measured in some material entity. material entity inorganic chromium salt concentration concentration of inorganic chromium salt in material entity The concentration of organic chromium salt when measured in some material entity. material entity organic chromium salt concentration concentration of organic chromium salt in material entity The concentration of dietary copper when measured in some material entity. USDA_fdc_id:1098 USDA_nutrient_nbr:312 material entity dietary copper concentration concentration of dietary copper in material entity The concentration of inorganic copper salt when measured in some material entity. material entity inorganic copper salt concentration concentration of inorganic copper salt in material entity The concentration of organic copper salt when measured in some material entity. material entity organic copper salt concentration concentration of organic copper salt in material entity The concentration of dietary fluorine when measured in some material entity. USDA_fdc_id:1099 USDA_nutrient_nbr:313 material entity dietary fluorine concentration concentration of dietary fluorine in material entity The concentration of inorganic fluoride salt when measured in some material entity. material entity inorganic fluoride salt concentration concentration of inorganic fluoride salt in material entity The concentration of organic fluoride salt when measured in some material entity. material entity organic fluoride salt concentration concentration of organic fluoride salt in material entity The concentration of dietary iodine when measured in some material entity. USDA_fdc_id:1100 USDA_nutrient_nbr:314 material entity dietary iodine concentration concentration of dietary iodine in material entity The concentration of inorganic iodine salt when measured in some material entity. material entity inorganic iodine salt concentration concentration of inorganic iodine salt in material entity The concentration of organic iodine salt when measured in some material entity. material entity organic iodine salt concentration concentration of organic iodine salt in material entity The concentration of dietary iron when measured in some material entity. USDA_fdc_id:1089 USDA_nutrient_nbr:303 material entity dietary iron concentration concentration of dietary iron in material entity The concentration of inorganic iron salt when measured in some material entity. material entity inorganic iron salt concentration concentration of inorganic iron salt in material entity OBSOLETE. The concentration of iron(2+) sulfate (anhydrous) when measured in some material entity. The equivalency statement has been duplicated material entity iron(2+) sulfate (anhydrous) concentration obsolete concentration of iron(2+) sulfate (anhydrous) in material entity true The concentration of organic iron salt when measured in some material entity. material entity organic iron salt concentration concentration of organic iron salt in material entity The concentration of organic iron compound when measured in some material entity. material entity organic iron compound concentration concentration of organic iron compound in material entity The concentration of ferric ammonium citrate when measured in some material entity. material entity ferric ammonium citrate concentration concentration of ferric ammonium citrate in material entity The concentration of dietary manganese when measured in some material entity. USDA_fdc_id:1101 USDA_nutrient_nbr:315 material entity dietary manganese concentration concentration of dietary manganese in material entity The concentration of manganese(3+) when measured in some material entity. material entity manganese(3+) concentration concentration of manganese(3+) in material entity The concentration of inorganic manganese salt when measured in some material entity. material entity inorganic manganese salt concentration concentration of inorganic manganese salt in material entity The concentration of organic manganese salt when measured in some material entity. material entity organic manganese salt concentration concentration of organic manganese salt in material entity The concentration of dietary molybdenum when measured in some material entity. USDA_fdc_id:1102 USDA_nutrient_nbr:316 material entity dietary molybdenum concentration concentration of dietary molybdenum in material entity The concentration of molybdenum(6+) when measured in some material entity. material entity molybdenum(6+) concentration concentration of molybdenum(6+) in material entity The concentration of inorganic molybdenum salt when measured in some material entity. material entity inorganic molybdenum salt concentration concentration of inorganic molybdenum salt in material entity The concentration of organic molybdenum salt when measured in some material entity. material entity organic molybdenum salt concentration concentration of organic molybdenum salt in material entity The concentration of dietary selenium when measured in some material entity. USDA_fdc_id:1103 USDA_nutrient_nbr:317 material entity dietary selenium concentration concentration of dietary selenium in material entity The concentration of selenium(4+) when measured in some material entity. material entity selenium(4+) concentration concentration of selenium(4+) in material entity The concentration of selenium(6+) when measured in some material entity. material entity selenium(6+) concentration concentration of selenium(6+) in material entity The concentration of inorganic selenium salt when measured in some material entity. material entity inorganic selenium salt concentration concentration of inorganic selenium salt in material entity The concentration of organic selenium salt when measured in some material entity. material entity organic selenium salt concentration concentration of organic selenium salt in material entity The concentration of dietary zinc when measured in some material entity. USDA_fdc_id:1095 USDA_nutrient_nbr:309 material entity dietary zinc concentration concentration of dietary zinc in material entity The concentration of inorganic zinc salt when measured in some material entity. material entity inorganic zinc salt concentration concentration of inorganic zinc salt in material entity The concentration of organic zinc salt when measured in some material entity. material entity organic zinc salt concentration concentration of organic zinc salt in material entity The concentration of collagen when measured in some material entity. material entity collagen concentration concentration of collagen in material entity The concentration of elastin when measured in some material entity. material entity elastin concentration concentration of elastin in material entity The concentration of fibrin when measured in some material entity. material entity fibrin concentration concentration of fibrin in material entity The concentration of hemoglobin when measured in some material entity. material entity hemoglobin concentration concentration of hemoglobin in material entity The concentration of myoglobin when measured in some material entity. material entity myoglobin concentration concentration of myoglobin in material entity The concentration of beta-lactoglobulin when measured in some material entity. material entity beta-lactoglobulin concentration concentration of beta-lactoglobulin in material entity The concentration of napin when measured in some material entity. material entity napin concentration concentration of napin in material entity The concentration of gliadin when measured in some material entity. material entity gliadin concentration concentration of gliadin in material entity The concentration of L-fucose when measured in some material entity. material entity L-fucose concentration concentration of L-fucose in material entity The concentration of D-xylose when measured in some material entity. material entity D-xylose concentration concentration of D-xylose in material entity The concentration of L-arabinofuranose when measured in some material entity. material entity L-arabinofuranose concentration concentration of L-arabinofuranose in material entity The concentration of L-arabinopyranose when measured in some material entity. material entity L-arabinopyranose concentration concentration of L-arabinopyranose in material entity The concentration of lactose when measured in some material entity. INFOODs:LACS USDA_fdc_id:1013 USDA_nutrient_nbr:213 material entity lactose concentration concentration of lactose in material entity The concentration of lactulose when measured in some material entity. material entity lactulose concentration concentration of lactulose in material entity The concentration of D-mannose when measured in some material entity. material entity D-mannose concentration concentration of D-mannose in material entity 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. material entity β-D-Gal-(1→3)-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-D-Glc concentration concentration of β-D-Gal-(1→3)-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-D-Glc in material entity The concentration of dextrins when measured in some material entity. INFOODs:DEXTN material entity dextrins concentration concentration of dextrins in material entity The concentration of maltodextrin when measured in some material entity. INFOODs:MALTDEX material entity maltodextrin concentration concentration of maltodextrin in material entity The concentration of cyclodextrin when measured in some material entity. material entity cyclodextrin concentration concentration of cyclodextrin in material entity The concentration of amylodextrin when measured in some material entity. material entity amylodextrin concentration concentration of amylodextrin in material entity The concentration of cellodextrin when measured in some material entity. material entity cellodextrin concentration concentration of cellodextrin in material entity The concentration of gum when measured in some material entity. INFOODs:GUMS material entity gum concentration concentration of gum in material entity The concentration of heteroglycan when measured in some material entity. material entity heteroglycan concentration concentration of heteroglycan in material entity The concentration of alginic acid when measured in some material entity. material entity alginic acid concentration concentration of alginic acid in material entity The concentration of carrageenan when measured in some material entity. material entity carrageenan concentration concentration of carrageenan in material entity The concentration of ι-carrageenan when measured in some material entity. material entity ι-carrageenan concentration concentration of ι-carrageenan in material entity The concentration of κ-carrageenan when measured in some material entity. material entity κ-carrageenan concentration concentration of κ-carrageenan in material entity The concentration of λ-carrageenan when measured in some material entity. material entity λ-carrageenan concentration concentration of λ-carrageenan in material entity The concentration of xanthan when measured in some material entity. material entity xanthan concentration concentration of xanthan in material entity The concentration of ketose when measured in some material entity. material entity ketose concentration concentration of ketose in material entity The concentration of ketohexose when measured in some material entity. material entity ketohexose concentration concentration of ketohexose in material entity The concentration of psicose when measured in some material entity. material entity psicose concentration concentration of psicose in material entity OBSOLETE. The concentration of polyol when measured in some material entity. The equivalency statement has been duplicated material entity polyol concentration obsolete concentration of polyol in material entity true The concentration of maltitol when measured in some material entity. INFOODs:MALTL material entity maltitol concentration concentration of maltitol in material entity OBSOLETE. The concentration of mannitol when measured in some material entity. The equivalency statement has been duplicated material entity mannitol concentration obsolete concentration of mannitol in material entity true OBSOLETE. The concentration of glycerol when measured in some material entity. The equivalency statement has been duplicated material entity glycerol concentration obsolete concentration of glycerol in material entity true OBSOLETE. The concentration of glucitol when measured in some material entity. The equivalency statement has been duplicated material entity glucitol concentration obsolete concentration of glucitol in material entity true OBSOLETE. The concentration of xylitol when measured in some material entity. The equivalency statement has been duplicated material entity xylitol concentration obsolete concentration of xylitol in material entity true The concentration of lactitol when measured in some material entity. INFOODs:LACTL material entity lactitol concentration concentration of lactitol in material entity The concentration of isomalt when measured in some material entity. INFOODs:ISOMALT material entity isomalt concentration concentration of isomalt in material entity The concentration of erythritol when measured in some material entity. INFOODs:ERYTHL material entity erythritol concentration concentration of erythritol in material entity The concentration of alditol when measured in some material entity. material entity alditol concentration concentration of alditol in material entity The concentration of D-galacturonic acid when measured in some material entity. material entity D-galacturonic acid concentration concentration of D-galacturonic acid in material entity The concentration of 6-O-α-D-glucopyranosyl-D-fructofuranose when measured in some material entity. material entity 6-O-α-D-glucopyranosyl-D-fructofuranose concentration concentration of 6-O-α-D-glucopyranosyl-D-fructofuranose in material entity The concentration of sialic acid when measured in some material entity. material entity sialic acid concentration concentration of sialic acid in material entity The concentration of Polydextrose when measured in some material entity. material entity Polydextrose concentration concentration of Polydextrose in material entity The concentration of chitosan when measured in some material entity. material entity chitosan concentration concentration of chitosan in material entity The concentration of 8,5'-diferulic acid when measured in some material entity. material entity 8,5'-diferulic acid concentration concentration of 8,5'-diferulic acid in material entity The concentration of piceatannol when measured in some material entity. material entity piceatannol concentration concentration of piceatannol in material entity The concentration of acteoside when measured in some material entity. material entity acteoside concentration concentration of acteoside in material entity The concentration of pelargonin when measured in some material entity. material entity pelargonin concentration concentration of pelargonin in material entity The concentration of (+)-pinoresinol when measured in some material entity. material entity (+)-pinoresinol concentration concentration of (+)-pinoresinol in material entity The concentration of (-)-secoisolariciresinol when measured in some material entity. material entity (-)-secoisolariciresinol concentration concentration of (-)-secoisolariciresinol in material entity The concentration of demethoxycurcumin when measured in some material entity. material entity demethoxycurcumin concentration concentration of demethoxycurcumin in material entity The concentration of (-)-matairesinol when measured in some material entity. material entity (-)-matairesinol concentration concentration of (-)-matairesinol in material entity The concentration of bisdemethoxycurcumin when measured in some material entity. material entity bisdemethoxycurcumin concentration concentration of bisdemethoxycurcumin in material entity The concentration of (+)-catechin-3'-methyl ether when measured in some material entity. material entity (+)-catechin-3'-methyl ether concentration concentration of (+)-catechin-3'-methyl ether in material entity The concentration of 4'-O-methyl-(−)-epicatechin when measured in some material entity. material entity 4'-O-methyl-(−)-epicatechin concentration concentration of 4'-O-methyl-(−)-epicatechin in material entity The concentration of curcumin when measured in some material entity. material entity curcumin concentration concentration of curcumin in material entity The concentration of (2-cis,6-cis)-farnesol when measured in some material entity. material entity (2-cis,6-cis)-farnesol concentration concentration of (2-cis,6-cis)-farnesol in material entity The concentration of (E)-trans-miyabenol C when measured in some material entity. material entity (E)-trans-miyabenol C concentration concentration of (E)-trans-miyabenol C in material entity The concentration of trans-rhaponticin when measured in some material entity. material entity trans-rhaponticin concentration concentration of trans-rhaponticin in material entity The concentration of stilbenol when measured in some material entity. material entity stilbenol concentration concentration of stilbenol in material entity The concentration of pinosylvin when measured in some material entity. material entity pinosylvin concentration concentration of pinosylvin in material entity The concentration of resveratrol sulfate when measured in some material entity. material entity resveratrol sulfate concentration concentration of resveratrol sulfate in material entity The concentration of guaiacol when measured in some material entity. material entity guaiacol concentration concentration of guaiacol in material entity The concentration of (E)-sinapaldehyde when measured in some material entity. material entity (E)-sinapaldehyde concentration concentration of (E)-sinapaldehyde in material entity The concentration of 4-hydroxyphenylacetic acid when measured in some material entity. material entity 4-hydroxyphenylacetic acid concentration concentration of 4-hydroxyphenylacetic acid in material entity The concentration of hydroxybenzaldehyde when measured in some material entity. material entity hydroxybenzaldehyde concentration concentration of hydroxybenzaldehyde in material entity The concentration of 4-hydroxybenzaldehyde when measured in some material entity. material entity 4-hydroxybenzaldehyde concentration concentration of 4-hydroxybenzaldehyde in material entity The concentration of benzenetriol when measured in some material entity. material entity benzenetriol concentration concentration of benzenetriol in material entity The concentration of digallic acid when measured in some material entity. material entity digallic acid concentration concentration of digallic acid in material entity The concentration of pyrogallol when measured in some material entity. material entity pyrogallol concentration concentration of pyrogallol in material entity The concentration of Dodecyl gallate when measured in some material entity. material entity Dodecyl gallate concentration concentration of Dodecyl gallate in material entity The concentration of trans-2-coumaric acid when measured in some material entity. material entity trans-2-coumaric acid concentration concentration of trans-2-coumaric acid in material entity The concentration of vanillin when measured in some material entity. material entity vanillin concentration concentration of vanillin in material entity The concentration of eugenol when measured in some material entity. material entity eugenol concentration concentration of eugenol in material entity The concentration of benzenediols when measured in some material entity. material entity benzenediols concentration concentration of benzenediols in material entity The concentration of 3,4-dihydroxybenzaldehyde when measured in some material entity. material entity 3,4-dihydroxybenzaldehyde concentration concentration of 3,4-dihydroxybenzaldehyde in material entity The concentration of 5-heptadecylresorcinol when measured in some material entity. material entity 5-heptadecylresorcinol concentration concentration of 5-heptadecylresorcinol in material entity The concentration of 5-tricosylresorcinol when measured in some material entity. material entity 5-tricosylresorcinol concentration concentration of 5-tricosylresorcinol in material entity The concentration of cardol when measured in some material entity. material entity cardol concentration concentration of cardol in material entity The concentration of 3,5-dihydroxybenzoic acid when measured in some material entity. material entity 3,5-dihydroxybenzoic acid concentration concentration of 3,5-dihydroxybenzoic acid in material entity The concentration of 2',4'-dihydroxyacetophenone when measured in some material entity. material entity 2',4'-dihydroxyacetophenone concentration concentration of 2',4'-dihydroxyacetophenone in material entity The concentration of hydroquinone when measured in some material entity. material entity hydroquinone concentration concentration of hydroquinone in material entity The concentration of dopamine when measured in some material entity. material entity dopamine concentration concentration of dopamine in material entity The concentration of resorcinol when measured in some material entity. material entity resorcinol concentration concentration of resorcinol in material entity The concentration of 2-(4-hydroxyphenyl)ethanol when measured in some material entity. USDA_fdc_id:1206 USDA_nutrient_nbr:466 material entity 2-(4-hydroxyphenyl)ethanol concentration concentration of 2-(4-hydroxyphenyl)ethanol in material entity The concentration of 4-hydroxystyrene when measured in some material entity. material entity 4-hydroxystyrene concentration concentration of 4-hydroxystyrene in material entity The concentration of 2-methoxy-4-vinylphenol when measured in some material entity. material entity 2-methoxy-4-vinylphenol concentration concentration of 2-methoxy-4-vinylphenol in material entity The concentration of (−)-lariciresinol when measured in some material entity. material entity (−)-lariciresinol concentration concentration of (−)-lariciresinol in material entity The concentration of (+)-lariciresinol when measured in some material entity. material entity (+)-lariciresinol concentration concentration of (+)-lariciresinol in material entity The concentration of Sesamolinol when measured in some material entity. material entity Sesamolinol concentration concentration of Sesamolinol in material entity The concentration of 2-O-sulfate-4-hydroxyacetophenone when measured in some material entity. material entity 2-O-sulfate-4-hydroxyacetophenone concentration concentration of 2-O-sulfate-4-hydroxyacetophenone in material entity The concentration of 2,3-dihydrobiochanin A when measured in some material entity. material entity 2,3-dihydrobiochanin A concentration concentration of 2,3-dihydrobiochanin A in material entity The concentration of 4-hydroxymandelic acid when measured in some material entity. material entity 4-hydroxymandelic acid concentration concentration of 4-hydroxymandelic acid in material entity The concentration of vestitone when measured in some material entity. material entity vestitone concentration concentration of vestitone in material entity The concentration of 3-hydroxyphenylacetic acid when measured in some material entity. material entity 3-hydroxyphenylacetic acid concentration concentration of 3-hydroxyphenylacetic acid in material entity The concentration of (2-hydroxyphenyl)acetic acid when measured in some material entity. material entity (2-hydroxyphenyl)acetic acid concentration concentration of (2-hydroxyphenyl)acetic acid in material entity The concentration of Paeonol when measured in some material entity. material entity Paeonol concentration concentration of Paeonol in material entity The concentration of m-hydroxyhippuric acid when measured in some material entity. material entity m-hydroxyhippuric acid concentration concentration of m-hydroxyhippuric acid in material entity The concentration of 3-(3-hydroxyphenyl)-3-hydroxypropanoic acid when measured in some material entity. material entity 3-(3-hydroxyphenyl)-3-hydroxypropanoic acid concentration concentration of 3-(3-hydroxyphenyl)-3-hydroxypropanoic acid in material entity The concentration of deoxyhumulone when measured in some material entity. material entity deoxyhumulone concentration concentration of deoxyhumulone in material entity The concentration of tyramine when measured in some material entity. material entity tyramine concentration concentration of tyramine in material entity The concentration of 3-(2-hydroxyphenyl)propanoic acid when measured in some material entity. material entity 3-(2-hydroxyphenyl)propanoic acid concentration concentration of 3-(2-hydroxyphenyl)propanoic acid in material entity The concentration of kievitone when measured in some material entity. material entity kievitone concentration concentration of kievitone in material entity The concentration of vanillyl alcohol when measured in some material entity. material entity vanillyl alcohol concentration concentration of vanillyl alcohol in material entity The concentration of vanillylmandelic acid when measured in some material entity. material entity vanillylmandelic acid concentration concentration of vanillylmandelic acid in material entity The concentration of serotonin when measured in some material entity. material entity serotonin concentration concentration of serotonin in material entity The concentration of dopamine 3-O-sulfate when measured in some material entity. material entity dopamine 3-O-sulfate concentration concentration of dopamine 3-O-sulfate in material entity The concentration of gentisyl alcohol when measured in some material entity. material entity gentisyl alcohol concentration concentration of gentisyl alcohol in material entity The concentration of quinol sulfate when measured in some material entity. material entity quinol sulfate concentration concentration of quinol sulfate in material entity The concentration of biphenyl-2-ol when measured in some material entity. material entity biphenyl-2-ol concentration concentration of biphenyl-2-ol in material entity The concentration of (3,4-dihydroxyphenyl)acetic acid when measured in some material entity. material entity (3,4-dihydroxyphenyl)acetic acid concentration concentration of (3,4-dihydroxyphenyl)acetic acid in material entity The concentration of 3,4-dihydroxybenzoic acid when measured in some material entity. material entity 3,4-dihydroxybenzoic acid concentration concentration of 3,4-dihydroxybenzoic acid in material entity The concentration of 4-methylcatechol when measured in some material entity. material entity 4-methylcatechol concentration concentration of 4-methylcatechol in material entity The concentration of 3-methylcatechol when measured in some material entity. material entity 3-methylcatechol concentration concentration of 3-methylcatechol in material entity The concentration of 3,4-dihydroxyphenylethyleneglycol when measured in some material entity. material entity 3,4-dihydroxyphenylethyleneglycol concentration concentration of 3,4-dihydroxyphenylethyleneglycol in material entity The concentration of 3-phenylpropionic acid when measured in some material entity. material entity 3-phenylpropionic acid concentration concentration of 3-phenylpropionic acid in material entity The concentration of 3-O-methylgallic acid when measured in some material entity. material entity 3-O-methylgallic acid concentration concentration of 3-O-methylgallic acid in material entity The concentration of anthoxanthin when measured in some material entity. material entity anthoxanthin concentration concentration of anthoxanthin in material entity The concentration of flavones when measured in some material entity. material entity flavones concentration concentration of flavones in material entity The concentration of diosmetin when measured in some material entity. USDA_fdc_id:1381 USDA_nutrient_nbr:772 material entity diosmetin concentration concentration of diosmetin in material entity The concentration of myricetin when measured in some material entity. USDA_fdc_id:1390 USDA_nutrient_nbr:788 material entity myricetin concentration concentration of myricetin in material entity The concentration of hydroxyflavone when measured in some material entity. material entity hydroxyflavone concentration concentration of hydroxyflavone in material entity The concentration of luteolin 7-O-neohesperidoside when measured in some material entity. material entity luteolin 7-O-neohesperidoside concentration concentration of luteolin 7-O-neohesperidoside in material entity The concentration of isopimpinellin when measured in some material entity. material entity isopimpinellin concentration concentration of isopimpinellin in material entity The concentration of kaempferol 3-O-beta-D-glucoside when measured in some material entity. material entity kaempferol 3-O-beta-D-glucoside concentration concentration of kaempferol 3-O-beta-D-glucoside in material entity The concentration of rutin when measured in some material entity. material entity rutin concentration concentration of rutin in material entity The concentration of naringenin 7-O-β-D-glucoside when measured in some material entity. material entity naringenin 7-O-β-D-glucoside concentration concentration of naringenin 7-O-β-D-glucoside in material entity The concentration of luteolin 7-O-beta-D-glucoside when measured in some material entity. material entity luteolin 7-O-beta-D-glucoside concentration concentration of luteolin 7-O-beta-D-glucoside in material entity The concentration of quercetin 3-O-beta-D-glucofuranoside when measured in some material entity. material entity quercetin 3-O-beta-D-glucofuranoside concentration concentration of quercetin 3-O-beta-D-glucofuranoside in material entity The concentration of luteolin 7-O-beta-D-glucosiduronic acid when measured in some material entity. material entity luteolin 7-O-beta-D-glucosiduronic acid concentration concentration of luteolin 7-O-beta-D-glucosiduronic acid in material entity The concentration of apigenin 7-O-beta-D-glucoside when measured in some material entity. material entity apigenin 7-O-beta-D-glucoside concentration concentration of apigenin 7-O-beta-D-glucoside in material entity The concentration of quercitrin when measured in some material entity. material entity quercitrin concentration concentration of quercitrin in material entity The concentration of (S)-naringenin when measured in some material entity. material entity (S)-naringenin concentration concentration of (S)-naringenin in material entity The concentration of galangin when measured in some material entity. material entity galangin concentration concentration of galangin in material entity The concentration of kaempferide when measured in some material entity. material entity kaempferide concentration concentration of kaempferide in material entity The concentration of luteolin 7-O-(6-O-malonyl-β-D-glucoside) when measured in some material entity. material entity luteolin 7-O-(6-O-malonyl-β-D-glucoside) concentration concentration of luteolin 7-O-(6-O-malonyl-β-D-glucoside) in material entity The concentration of quercetin 3,4'-di-O-β-D-glucoside when measured in some material entity. material entity quercetin 3,4'-di-O-β-D-glucoside concentration concentration of quercetin 3,4'-di-O-β-D-glucoside in material entity The concentration of quercetin 7,4'-di-O-β-D-glucoside when measured in some material entity. material entity quercetin 7,4'-di-O-β-D-glucoside concentration concentration of quercetin 7,4'-di-O-β-D-glucoside in material entity The concentration of kaempferol 3-O-β-D-glucosyl-(1→2)-β-D-glucoside when measured in some material entity. material entity kaempferol 3-O-β-D-glucosyl-(1→2)-β-D-glucoside concentration concentration of kaempferol 3-O-β-D-glucosyl-(1→2)-β-D-glucoside in material entity The concentration of quercetin 3-O-β-D-glucosyl-(1→2)-β-D-glucoside when measured in some material entity. material entity quercetin 3-O-β-D-glucosyl-(1→2)-β-D-glucoside concentration concentration of quercetin 3-O-β-D-glucosyl-(1→2)-β-D-glucoside in material entity The concentration of isorhamnetin when measured in some material entity. USDA_fdc_id:1387 USDA_nutrient_nbr:785 material entity isorhamnetin concentration concentration of isorhamnetin in material entity The concentration of quercetin 3-O-β-D-galactopyranoside when measured in some material entity. material entity quercetin 3-O-β-D-galactopyranoside concentration concentration of quercetin 3-O-β-D-galactopyranoside in material entity The concentration of 4',5,7-trihydroxy-3'-methoxyflavone when measured in some material entity. material entity 4',5,7-trihydroxy-3'-methoxyflavone concentration concentration of 4',5,7-trihydroxy-3'-methoxyflavone in material entity The concentration of kaempferol 3-O-β-D-galactoside when measured in some material entity. material entity kaempferol 3-O-β-D-galactoside concentration concentration of kaempferol 3-O-β-D-galactoside in material entity The concentration of fisetin when measured in some material entity. material entity fisetin concentration concentration of fisetin in material entity The concentration of 3',5'-di-O-methyltricetin when measured in some material entity. material entity 3',5'-di-O-methyltricetin concentration concentration of 3',5'-di-O-methyltricetin in material entity The concentration of lucenin-2 when measured in some material entity. material entity lucenin-2 concentration concentration of lucenin-2 in material entity The concentration of quercetin 3-O-β-D-glucopyranoside when measured in some material entity. material entity quercetin 3-O-β-D-glucopyranoside concentration concentration of quercetin 3-O-β-D-glucopyranoside in material entity The concentration of kaempferol 3-O-glucuronide when measured in some material entity. material entity kaempferol 3-O-glucuronide concentration concentration of kaempferol 3-O-glucuronide in material entity The concentration of quercetin 4ʼ-O-β-D-glucopyranoside when measured in some material entity. material entity quercetin 4ʼ-O-β-D-glucopyranoside concentration concentration of quercetin 4ʼ-O-β-D-glucopyranoside in material entity The concentration of flavonols when measured in some material entity. USDA_fdc_id:1386 USDA_nutrient_nbr:784 material entity flavonols concentration concentration of flavonols in material entity The concentration of isoorientin when measured in some material entity. material entity isoorientin concentration concentration of isoorientin in material entity The concentration of miquelianin when measured in some material entity. material entity miquelianin concentration concentration of miquelianin in material entity The concentration of eupatilin when measured in some material entity. material entity eupatilin concentration concentration of eupatilin in material entity The concentration of cyanin when measured in some material entity. material entity cyanin concentration concentration of cyanin in material entity The concentration of galangin 3,5,7-trimethyl ether when measured in some material entity. material entity galangin 3,5,7-trimethyl ether concentration concentration of galangin 3,5,7-trimethyl ether in material entity The concentration of anthocyanin cation when measured in some material entity. material entity anthocyanin cation concentration concentration of anthocyanin cation in material entity The concentration of Tulipanin when measured in some material entity. material entity Tulipanin concentration concentration of Tulipanin in material entity The concentration of petunidin when measured in some material entity. USDA_fdc_id:1361 USDA_nutrient_nbr:746 material entity petunidin concentration concentration of petunidin in material entity The concentration of Dalbergin when measured in some material entity. material entity Dalbergin concentration concentration of Dalbergin in material entity The concentration of pelargonidin 3-O-beta-D-glucoside when measured in some material entity. material entity pelargonidin 3-O-beta-D-glucoside concentration concentration of pelargonidin 3-O-beta-D-glucoside in material entity The concentration of peonidin 3-O-β-D-glucoside when measured in some material entity. material entity peonidin 3-O-β-D-glucoside concentration concentration of peonidin 3-O-β-D-glucoside in material entity The concentration of isoliquiritigenin when measured in some material entity. material entity isoliquiritigenin concentration concentration of isoliquiritigenin in material entity The concentration of trilobatin when measured in some material entity. material entity trilobatin concentration concentration of trilobatin in material entity The concentration of 3,6,9-trihydroxypterocarpan when measured in some material entity. material entity 3,6,9-trihydroxypterocarpan concentration concentration of 3,6,9-trihydroxypterocarpan in material entity The concentration of phaseollidin when measured in some material entity. material entity phaseollidin concentration concentration of phaseollidin in material entity The concentration of delphinidin chloride when measured in some material entity. material entity delphinidin chloride concentration concentration of delphinidin chloride in material entity The concentration of pelargonidin chloride when measured in some material entity. material entity pelargonidin chloride concentration concentration of pelargonidin chloride in material entity The concentration of peonidin chloride when measured in some material entity. material entity peonidin chloride concentration concentration of peonidin chloride in material entity The concentration of delphinidin when measured in some material entity. USDA_fdc_id:1357 USDA_nutrient_nbr:741 material entity delphinidin concentration concentration of delphinidin in material entity The concentration of peonidin when measured in some material entity. USDA_fdc_id:1360 USDA_nutrient_nbr:745 material entity peonidin concentration concentration of peonidin in material entity The concentration of hydroxyflavanone when measured in some material entity. material entity hydroxyflavanone concentration concentration of hydroxyflavanone in material entity The concentration of astilbin when measured in some material entity. material entity astilbin concentration concentration of astilbin in material entity The concentration of flavanonol when measured in some material entity. material entity flavanonol concentration concentration of flavanonol in material entity The concentration of (+)-taxifolin when measured in some material entity. material entity (+)-taxifolin concentration concentration of (+)-taxifolin in material entity The concentration of garbanzol when measured in some material entity. material entity garbanzol concentration concentration of garbanzol in material entity The concentration of liquiritigenin when measured in some material entity. USDA_fdc_id:1376 USDA_nutrient_nbr:761 material entity liquiritigenin concentration concentration of liquiritigenin in material entity The concentration of betagarin when measured in some material entity. material entity betagarin concentration concentration of betagarin in material entity The concentration of (+)-catechin when measured in some material entity. material entity (+)-catechin concentration concentration of (+)-catechin in material entity The concentration of Cyclokievitone when measured in some material entity. material entity Cyclokievitone concentration concentration of Cyclokievitone in material entity The concentration of equol when measured in some material entity. material entity equol concentration concentration of equol in material entity The concentration of Sayanedine when measured in some material entity. material entity Sayanedine concentration concentration of Sayanedine in material entity The concentration of formononetin when measured in some material entity. USDA_fdc_id:1345 USDA_nutrient_nbr:715 material entity formononetin concentration concentration of formononetin in material entity The concentration of methoxyisoflavone when measured in some material entity. material entity methoxyisoflavone concentration concentration of methoxyisoflavone in material entity The concentration of Irisolidone when measured in some material entity. material entity Irisolidone concentration concentration of Irisolidone in material entity The concentration of biochanin A when measured in some material entity. USDA_fdc_id:1344 USDA_nutrient_nbr:714 material entity biochanin A concentration concentration of biochanin A in material entity The concentration of 2'-hydroxyformononetin when measured in some material entity. material entity 2'-hydroxyformononetin concentration concentration of 2'-hydroxyformononetin in material entity The concentration of calycosin when measured in some material entity. material entity calycosin concentration concentration of calycosin in material entity The concentration of 4',6,7-trihydroxyisoflavone when measured in some material entity. material entity 4',6,7-trihydroxyisoflavone concentration concentration of 4',6,7-trihydroxyisoflavone in material entity The concentration of orobol when measured in some material entity. material entity orobol concentration concentration of orobol in material entity The concentration of irilone when measured in some material entity. material entity irilone concentration concentration of irilone in material entity The concentration of 3',4',7-trihydroxyisoflavone when measured in some material entity. material entity 3',4',7-trihydroxyisoflavone concentration concentration of 3',4',7-trihydroxyisoflavone in material entity The concentration of prunetin when measured in some material entity. material entity prunetin concentration concentration of prunetin in material entity The concentration of 2'-hydroxydaidzein when measured in some material entity. material entity 2'-hydroxydaidzein concentration concentration of 2'-hydroxydaidzein in material entity The concentration of licoisoflavone A when measured in some material entity. material entity licoisoflavone A concentration concentration of licoisoflavone A in material entity The concentration of genistein(1−) when measured in some material entity. material entity genistein(1−) concentration concentration of genistein(1−) in material entity The concentration of sanguiin H6 when measured in some material entity. material entity sanguiin H6 concentration concentration of sanguiin H6 in material entity The concentration of lambertianin C when measured in some material entity. material entity lambertianin C concentration concentration of lambertianin C in material entity The concentration of punicalagin when measured in some material entity. material entity punicalagin concentration concentration of punicalagin in material entity The concentration of Punicalin when measured in some material entity. material entity Punicalin concentration concentration of Punicalin in material entity The concentration of agrimoniin when measured in some material entity. material entity agrimoniin concentration concentration of agrimoniin in material entity The concentration of theogallin when measured in some material entity. material entity theogallin concentration concentration of theogallin in material entity The concentration of cinnamtannin B-1 when measured in some material entity. material entity cinnamtannin B-1 concentration concentration of cinnamtannin B-1 in material entity The concentration of theasinensin A when measured in some material entity. material entity theasinensin A concentration concentration of theasinensin A in material entity The concentration of arecatannin a2 when measured in some material entity. material entity arecatannin a2 concentration concentration of arecatannin a2 in material entity The concentration of Schisantherin A when measured in some material entity. material entity Schisantherin A concentration concentration of Schisantherin A in material entity The concentration of Terminalin when measured in some material entity. material entity Terminalin concentration concentration of Terminalin in material entity The concentration of (-)-Variabilin when measured in some material entity. material entity (-)-Variabilin concentration concentration of (-)-Variabilin in material entity The concentration of Casuarictin when measured in some material entity. material entity Casuarictin concentration concentration of Casuarictin in material entity The concentration of Casuarinin when measured in some material entity. material entity Casuarinin concentration concentration of Casuarinin in material entity The concentration of Chebulinic acid when measured in some material entity. material entity Chebulinic acid concentration concentration of Chebulinic acid in material entity The concentration of Fucofuroeckol B when measured in some material entity. material entity Fucofuroeckol B concentration concentration of Fucofuroeckol B in material entity The concentration of Geraniin when measured in some material entity. material entity Geraniin concentration concentration of Geraniin in material entity The concentration of Pedunculagin when measured in some material entity. material entity Pedunculagin concentration concentration of Pedunculagin in material entity The concentration of Tellimagrandin I when measured in some material entity. material entity Tellimagrandin I concentration concentration of Tellimagrandin I in material entity The concentration of 4-hydroxybenzoic acid when measured in some material entity. material entity 4-hydroxybenzoic acid concentration concentration of 4-hydroxybenzoic acid in material entity The concentration of 3-hydroxybenzoic acid when measured in some material entity. material entity 3-hydroxybenzoic acid concentration concentration of 3-hydroxybenzoic acid in material entity The concentration of 2,3-dihydroxybenzoic acid when measured in some material entity. material entity 2,3-dihydroxybenzoic acid concentration concentration of 2,3-dihydroxybenzoic acid in material entity The concentration of 2,5-dihydroxybenzoic acid when measured in some material entity. material entity 2,5-dihydroxybenzoic acid concentration concentration of 2,5-dihydroxybenzoic acid in material entity The concentration of 2,6-dihydroxybenzoic acid when measured in some material entity. material entity 2,6-dihydroxybenzoic acid concentration concentration of 2,6-dihydroxybenzoic acid in material entity The concentration of 2,4,6-Trihydroxybenzoic acid when measured in some material entity. material entity 2,4,6-Trihydroxybenzoic acid concentration concentration of 2,4,6-Trihydroxybenzoic acid in material entity The concentration of 3-hydroxy-4-methoxybenzoic acid when measured in some material entity. material entity 3-hydroxy-4-methoxybenzoic acid concentration concentration of 3-hydroxy-4-methoxybenzoic acid in material entity The concentration of n-propyl gallate when measured in some material entity. material entity n-propyl gallate concentration concentration of n-propyl gallate in material entity The concentration of resveratrol when measured in some material entity. material entity resveratrol concentration concentration of resveratrol in material entity The concentration of pterostilbene when measured in some material entity. material entity pterostilbene concentration concentration of pterostilbene in material entity The concentration of coumarin when measured in some material entity. material entity coumarin concentration concentration of coumarin in material entity The concentration of umbelliferone when measured in some material entity. material entity umbelliferone concentration concentration of umbelliferone in material entity The concentration of trans-4-coumaric acid when measured in some material entity. material entity trans-4-coumaric acid concentration concentration of trans-4-coumaric acid in material entity The concentration of trans-3-coumaric acid when measured in some material entity. material entity trans-3-coumaric acid concentration concentration of trans-3-coumaric acid in material entity The concentration of trans-caffeic acid when measured in some material entity. material entity trans-caffeic acid concentration concentration of trans-caffeic acid in material entity The concentration of rosmarinic acid when measured in some material entity. material entity rosmarinic acid concentration concentration of rosmarinic acid in material entity The concentration of (R)-rosmarinic acid when measured in some material entity. material entity (R)-rosmarinic acid concentration concentration of (R)-rosmarinic acid in material entity The concentration of cis-caffeic acid when measured in some material entity. material entity cis-caffeic acid concentration concentration of cis-caffeic acid in material entity The concentration of Trachelogenin when measured in some material entity. material entity Trachelogenin concentration concentration of Trachelogenin in material entity The concentration of isoeugenol when measured in some material entity. material entity isoeugenol concentration concentration of isoeugenol in material entity The concentration of 4-methylumbelliferone β-D-glucuronide when measured in some material entity. material entity 4-methylumbelliferone β-D-glucuronide concentration concentration of 4-methylumbelliferone β-D-glucuronide in material entity The concentration of 4-methylumbelliferone sulfate when measured in some material entity. material entity 4-methylumbelliferone sulfate concentration concentration of 4-methylumbelliferone sulfate in material entity The concentration of 7-ethoxycoumarin when measured in some material entity. material entity 7-ethoxycoumarin concentration concentration of 7-ethoxycoumarin in material entity The concentration of esculin when measured in some material entity. material entity esculin concentration concentration of esculin in material entity The concentration of scoparone when measured in some material entity. material entity scoparone concentration concentration of scoparone in material entity The concentration of coniferyl aldehyde when measured in some material entity. material entity coniferyl aldehyde concentration concentration of coniferyl aldehyde in material entity The concentration of cinnamaldehydes when measured in some material entity. material entity cinnamaldehydes concentration concentration of cinnamaldehydes in material entity The concentration of theophylline when measured in some material entity. USDA_fdc_id:1083 USDA_nutrient_nbr:296 material entity theophylline concentration concentration of theophylline in material entity The concentration of solanine when measured in some material entity. material entity solanine concentration concentration of solanine in material entity The concentration of tomatine when measured in some material entity. material entity tomatine concentration concentration of tomatine in material entity The concentration of piperine when measured in some material entity. USDA_fdc_id:1054 USDA_nutrient_nbr:259 material entity piperine concentration concentration of piperine in material entity The concentration of gingerol when measured in some material entity. material entity gingerol concentration concentration of gingerol in material entity The concentration of harman when measured in some material entity. material entity harman concentration concentration of harman in material entity The concentration of hordenine when measured in some material entity. material entity hordenine concentration concentration of hordenine in material entity The concentration of Isobetanin when measured in some material entity. material entity Isobetanin concentration concentration of Isobetanin in material entity The concentration of Physoperuvine when measured in some material entity. material entity Physoperuvine concentration concentration of Physoperuvine in material entity The concentration of Prebetanin when measured in some material entity. material entity Prebetanin concentration concentration of Prebetanin in material entity The concentration of trans-4-hydroxy-L-proline betaine when measured in some material entity. material entity trans-4-hydroxy-L-proline betaine concentration concentration of trans-4-hydroxy-L-proline betaine in material entity The concentration of humulone when measured in some material entity. material entity humulone concentration concentration of humulone in material entity The concentration of Rishitin when measured in some material entity. material entity Rishitin concentration concentration of Rishitin in material entity The concentration of propane-1,2-diol when measured in some material entity. material entity propane-1,2-diol concentration concentration of propane-1,2-diol in material entity The concentration of myo-inositol when measured in some material entity. material entity myo-inositol concentration concentration of myo-inositol in material entity The concentration of farnesol when measured in some material entity. material entity farnesol concentration concentration of farnesol in material entity The concentration of capsidiol when measured in some material entity. material entity capsidiol concentration concentration of capsidiol in material entity The concentration of Cynaropicrin when measured in some material entity. material entity Cynaropicrin concentration concentration of Cynaropicrin in material entity The concentration of Isocaryophyllene when measured in some material entity. material entity Isocaryophyllene concentration concentration of Isocaryophyllene in material entity The concentration of (+)-valencene when measured in some material entity. material entity (+)-valencene concentration concentration of (+)-valencene in material entity The concentration of Lactupicrin when measured in some material entity. material entity Lactupicrin concentration concentration of Lactupicrin in material entity The concentration of Matricin when measured in some material entity. material entity Matricin concentration concentration of Matricin in material entity The concentration of Nobilin when measured in some material entity. material entity Nobilin concentration concentration of Nobilin in material entity The concentration of (+)-nootkatone when measured in some material entity. material entity (+)-nootkatone concentration concentration of (+)-nootkatone in material entity The concentration of lactucopicrin when measured in some material entity. material entity lactucopicrin concentration concentration of lactucopicrin in material entity The concentration of Tricyclodehydroisohumulone when measured in some material entity. material entity Tricyclodehydroisohumulone concentration concentration of Tricyclodehydroisohumulone in material entity The concentration of crocetin when measured in some material entity. material entity crocetin concentration concentration of crocetin in material entity The concentration of Ineketone when measured in some material entity. material entity Ineketone concentration concentration of Ineketone in material entity The concentration of Norbixin when measured in some material entity. material entity Norbixin concentration concentration of Norbixin in material entity The concentration of Phaseoloside D when measured in some material entity. material entity Phaseoloside D concentration concentration of Phaseoloside D in material entity The concentration of stevioside when measured in some material entity. material entity stevioside concentration concentration of stevioside in material entity The concentration of steviol glycoside when measured in some material entity. material entity steviol glycoside concentration concentration of steviol glycoside in material entity The concentration of Carnosol when measured in some material entity. material entity Carnosol concentration concentration of Carnosol in material entity The concentration of carnosic acid when measured in some material entity. material entity carnosic acid concentration concentration of carnosic acid in material entity The concentration of sesterterpenoid when measured in some material entity. material entity sesterterpenoid concentration concentration of sesterterpenoid in material entity The concentration of Avenacin B-2 when measured in some material entity. material entity Avenacin B-2 concentration concentration of Avenacin B-2 in material entity The concentration of glycyrrhetinic acid when measured in some material entity. material entity glycyrrhetinic acid concentration concentration of glycyrrhetinic acid in material entity The concentration of betulinic acid when measured in some material entity. material entity betulinic acid concentration concentration of betulinic acid in material entity The concentration of Cucurbitacin C when measured in some material entity. material entity Cucurbitacin C concentration concentration of Cucurbitacin C in material entity The concentration of diosgenin when measured in some material entity. material entity diosgenin concentration concentration of diosgenin in material entity The concentration of erythrodiol when measured in some material entity. material entity erythrodiol concentration concentration of erythrodiol in material entity The concentration of (20S)-ginsenoside Rg3 when measured in some material entity. material entity (20S)-ginsenoside Rg3 concentration concentration of (20S)-ginsenoside Rg3 in material entity The concentration of nomilin when measured in some material entity. material entity nomilin concentration concentration of nomilin in material entity The concentration of Obacunone when measured in some material entity. material entity Obacunone concentration concentration of Obacunone in material entity The concentration of ginsenoside Rg2 when measured in some material entity. material entity ginsenoside Rg2 concentration concentration of ginsenoside Rg2 in material entity The concentration of ginsenoside Rb2 when measured in some material entity. material entity ginsenoside Rb2 concentration concentration of ginsenoside Rb2 in material entity The concentration of ginsenoside Rc when measured in some material entity. material entity ginsenoside Rc concentration concentration of ginsenoside Rc in material entity The concentration of soyasapogenol B when measured in some material entity. material entity soyasapogenol B concentration concentration of soyasapogenol B in material entity The concentration of Soyasaponin A1 when measured in some material entity. material entity Soyasaponin A1 concentration concentration of Soyasaponin A1 in material entity The concentration of ursolic acid when measured in some material entity. material entity ursolic acid concentration concentration of ursolic acid in material entity The concentration of all-trans-phytoene when measured in some material entity. material entity all-trans-phytoene concentration concentration of all-trans-phytoene in material entity The concentration of lutein 5,6-epoxide when measured in some material entity. material entity lutein 5,6-epoxide concentration concentration of lutein 5,6-epoxide in material entity The concentration of antheraxanthin when measured in some material entity. material entity antheraxanthin concentration concentration of antheraxanthin in material entity The concentration of all-trans-neoxanthin when measured in some material entity. material entity all-trans-neoxanthin concentration concentration of all-trans-neoxanthin in material entity The concentration of canthaxanthin when measured in some material entity. material entity canthaxanthin concentration concentration of canthaxanthin in material entity The concentration of capsanthin when measured in some material entity. material entity capsanthin concentration concentration of capsanthin in material entity The concentration of capsorubin when measured in some material entity. material entity capsorubin concentration concentration of capsorubin in material entity The concentration of all-trans-violaxanthin when measured in some material entity. material entity all-trans-violaxanthin concentration concentration of all-trans-violaxanthin in material entity The concentration of astaxanthin when measured in some material entity. material entity astaxanthin concentration concentration of astaxanthin in material entity The concentration of echinenone when measured in some material entity. material entity echinenone concentration concentration of echinenone in material entity The concentration of Flavoxanthin when measured in some material entity. material entity Flavoxanthin concentration concentration of Flavoxanthin in material entity The concentration of fucoxanthin when measured in some material entity. material entity fucoxanthin concentration concentration of fucoxanthin in material entity The concentration of lactucaxanthin when measured in some material entity. material entity lactucaxanthin concentration concentration of lactucaxanthin in material entity The concentration of zeinoxanthin when measured in some material entity. material entity zeinoxanthin concentration concentration of zeinoxanthin in material entity The concentration of lycoxanthin when measured in some material entity. material entity lycoxanthin concentration concentration of lycoxanthin in material entity The concentration of Mutatochrome when measured in some material entity. material entity Mutatochrome concentration concentration of Mutatochrome in material entity The concentration of Physalien when measured in some material entity. material entity Physalien concentration concentration of Physalien in material entity The concentration of rubixanthin when measured in some material entity. material entity rubixanthin concentration concentration of rubixanthin in material entity The concentration of paeoniflorin when measured in some material entity. material entity paeoniflorin concentration concentration of paeoniflorin in material entity The concentration of Yamogenin when measured in some material entity. material entity Yamogenin concentration concentration of Yamogenin in material entity The concentration of rebaudioside A when measured in some material entity. material entity rebaudioside A concentration concentration of rebaudioside A in material entity The concentration of rebaudioside B(1−) when measured in some material entity. material entity rebaudioside B(1−) concentration concentration of rebaudioside B(1−) in material entity The concentration of rebaudioside E when measured in some material entity. material entity rebaudioside E concentration concentration of rebaudioside E in material entity The concentration of rebaudioside D when measured in some material entity. material entity rebaudioside D concentration concentration of rebaudioside D in material entity The concentration of retinal when measured in some material entity. material entity retinal concentration concentration of retinal in material entity The concentration of 13-cis-retinal when measured in some material entity. material entity 13-cis-retinal concentration concentration of 13-cis-retinal in material entity The concentration of (R)-camphor when measured in some material entity. material entity (R)-camphor concentration concentration of (R)-camphor in material entity The concentration of (+)-exo-5-hydroxycamphor when measured in some material entity. material entity (+)-exo-5-hydroxycamphor concentration concentration of (+)-exo-5-hydroxycamphor in material entity The concentration of (+)-carvone when measured in some material entity. material entity (+)-carvone concentration concentration of (+)-carvone in material entity The concentration of perillyl alcohol when measured in some material entity. material entity perillyl alcohol concentration concentration of perillyl alcohol in material entity The concentration of (S)-(-)-perillyl alcohol when measured in some material entity. material entity (S)-(-)-perillyl alcohol concentration concentration of (S)-(-)-perillyl alcohol in material entity The concentration of glycyrrhizinic acid when measured in some material entity. material entity glycyrrhizinic acid concentration concentration of glycyrrhizinic acid in material entity The concentration of limonin when measured in some material entity. material entity limonin concentration concentration of limonin in material entity The concentration of (1S,4R)-fenchone when measured in some material entity. material entity (1S,4R)-fenchone concentration concentration of (1S,4R)-fenchone in material entity The concentration of limonene-1,2-diol when measured in some material entity. material entity limonene-1,2-diol concentration concentration of limonene-1,2-diol in material entity The concentration of phytol when measured in some material entity. material entity phytol concentration concentration of phytol in material entity The concentration of 2-trans,6-trans-farnesyl diphosphate when measured in some material entity. material entity 2-trans,6-trans-farnesyl diphosphate concentration concentration of 2-trans,6-trans-farnesyl diphosphate in material entity The concentration of geraniol when measured in some material entity. material entity geraniol concentration concentration of geraniol in material entity The concentration of all-trans-retinal when measured in some material entity. material entity all-trans-retinal concentration concentration of all-trans-retinal in material entity The concentration of absinthin when measured in some material entity. material entity absinthin concentration concentration of absinthin in material entity The concentration of myrtenic acid when measured in some material entity. material entity myrtenic acid concentration concentration of myrtenic acid in material entity The concentration of avenacin A-1 when measured in some material entity. material entity avenacin A-1 concentration concentration of avenacin A-1 in material entity The concentration of lubimin when measured in some material entity. material entity lubimin concentration concentration of lubimin in material entity The concentration of 1,8-cineole when measured in some material entity. material entity 1,8-cineole concentration concentration of 1,8-cineole in material entity The concentration of borneol when measured in some material entity. material entity borneol concentration concentration of borneol in material entity The concentration of Azukisaponin III when measured in some material entity. material entity Azukisaponin III concentration concentration of Azukisaponin III in material entity The concentration of (2E,6E)-farnesyl monophosphate when measured in some material entity. material entity (2E,6E)-farnesyl monophosphate concentration concentration of (2E,6E)-farnesyl monophosphate in material entity The concentration of soyasaponin I when measured in some material entity. material entity soyasaponin I concentration concentration of soyasaponin I in material entity The concentration of Spinasaponin A when measured in some material entity. material entity Spinasaponin A concentration concentration of Spinasaponin A in material entity The concentration of Theasaponin when measured in some material entity. material entity Theasaponin concentration concentration of Theasaponin in material entity The concentration of (−)-α-thujone when measured in some material entity. material entity (−)-α-thujone concentration concentration of (−)-α-thujone in material entity The concentration of phloretic acid when measured in some material entity. material entity phloretic acid concentration concentration of phloretic acid in material entity The concentration of amino acid derived from non-proteinacious when measured in some material entity. material entity amino acid derived from non-proteinacious concentration concentration of amino acid derived from non-proteinacious in material entity The concentration of citrulline when measured in some material entity. material entity citrulline concentration concentration of citrulline in material entity The concentration of ornithine when measured in some material entity. material entity ornithine concentration concentration of ornithine in material entity The concentration of glucosinolate when measured in some material entity. material entity glucosinolate concentration concentration of glucosinolate in material entity The concentration of glucoberteroin(1-) when measured in some material entity. material entity glucoberteroin(1-) concentration concentration of glucoberteroin(1-) in material entity The concentration of glucocapparin(1-) when measured in some material entity. material entity glucocapparin(1-) concentration concentration of glucocapparin(1-) in material entity The concentration of glucocochlearin(1-) when measured in some material entity. material entity glucocochlearin(1-) concentration concentration of glucocochlearin(1-) in material entity The concentration of glucoerucin(1-) when measured in some material entity. material entity glucoerucin(1-) concentration concentration of glucoerucin(1-) in material entity The concentration of glucoiberverin(1-) when measured in some material entity. material entity glucoiberverin(1-) concentration concentration of glucoiberverin(1-) in material entity The concentration of gluconapin(1-) when measured in some material entity. material entity gluconapin(1-) concentration concentration of gluconapin(1-) in material entity The concentration of gluconapoleiferin(1-) when measured in some material entity. material entity gluconapoleiferin(1-) concentration concentration of gluconapoleiferin(1-) in material entity The concentration of gluconasturtiin(1-) when measured in some material entity. material entity gluconasturtiin(1-) concentration concentration of gluconasturtiin(1-) in material entity The concentration of glucoputranjivin(1-) when measured in some material entity. material entity glucoputranjivin(1-) concentration concentration of glucoputranjivin(1-) in material entity The concentration of glucoraphenin(1-) when measured in some material entity. material entity glucoraphenin(1-) concentration concentration of glucoraphenin(1-) in material entity The concentration of glucobrassicin(1-) when measured in some material entity. material entity glucobrassicin(1-) concentration concentration of glucobrassicin(1-) in material entity The concentration of progoitrin(1−) when measured in some material entity. material entity progoitrin(1−) concentration concentration of progoitrin(1−) in material entity The concentration of Sinalbin when measured in some material entity. material entity Sinalbin concentration concentration of Sinalbin in material entity The concentration of sinigrin(1-) when measured in some material entity. material entity sinigrin(1-) concentration concentration of sinigrin(1-) in material entity The concentration of diarylheptanoid when measured in some material entity. material entity diarylheptanoid concentration concentration of diarylheptanoid in material entity The concentration of myricanone when measured in some material entity. material entity myricanone concentration concentration of myricanone in material entity The concentration of high molecular weight dietary fibre when measured in some material entity. material entity high molecular weight dietary fibre concentration concentration of high molecular weight dietary fibre in material entity The concentration of fermentable dietary fibre when measured in some material entity. material entity fermentable dietary fibre concentration concentration of fermentable dietary fibre in material entity The concentration of non-fermentable dietary fibre when measured in some material entity. material entity non-fermentable dietary fibre concentration concentration of non-fermentable dietary fibre in material entity The concentration of viscous dietary fibre when measured in some material entity. material entity viscous dietary fibre concentration concentration of viscous dietary fibre in material entity The concentration of added dietary fibre when measured in some material entity. material entity added dietary fibre concentration concentration of added dietary fibre in material entity The concentration of prebiotic dietary fibre when measured in some material entity. material entity prebiotic dietary fibre concentration concentration of prebiotic dietary fibre in material entity The concentration of soluble dietary fibre precipitate (SDFP) when measured in some material entity. material entity soluble dietary fibre precipitate (SDFP) concentration concentration of soluble dietary fibre precipitate (SDFP) in material entity The concentration of soluble dietary fibre soluble (SDFS) when measured in some material entity. material entity soluble dietary fibre soluble (SDFS) concentration concentration of soluble dietary fibre soluble (SDFS) in material entity The concentration of low molecular weight dietary fibre when measured in some material entity. material entity low molecular weight dietary fibre concentration concentration of low molecular weight dietary fibre in material entity The concentration of non-starch polysaccharide when measured in some material entity. material entity non-starch polysaccharide concentration concentration of non-starch polysaccharide in material entity The concentration of cellulosic polysaccharide when measured in some material entity. material entity cellulosic polysaccharide concentration concentration of cellulosic polysaccharide in material entity The concentration of non-starch non-cellulosic polysaccharide when measured in some material entity. material entity non-starch non-cellulosic polysaccharide concentration concentration of non-starch non-cellulosic polysaccharide in material entity The concentration of chitin when measured in some material entity. material entity chitin concentration concentration of chitin in material entity The concentration of pullulan when measured in some material entity. material entity pullulan concentration concentration of pullulan in material entity The concentration of modified cellulose when measured in some material entity. material entity modified cellulose concentration concentration of modified cellulose in material entity The concentration of chitin-glucan when measured in some material entity. material entity chitin-glucan concentration concentration of chitin-glucan in material entity The concentration of nondigestible oligosaccharide when measured in some material entity. material entity nondigestible oligosaccharide concentration concentration of nondigestible oligosaccharide in material entity The concentration of ajugose when measured in some material entity. material entity ajugose concentration concentration of ajugose in material entity The concentration of graminan when measured in some material entity. material entity graminan concentration concentration of graminan in material entity The concentration of pectic polysaccharide when measured in some material entity. material entity pectic polysaccharide concentration concentration of pectic polysaccharide in material entity The concentration of polysaccharide-based hydrocolloid when measured in some material entity. material entity polysaccharide-based hydrocolloid concentration concentration of polysaccharide-based hydrocolloid in material entity The concentration of resistant glucan when measured in some material entity. material entity resistant glucan concentration concentration of resistant glucan in material entity The concentration of arabinoxylan-oligosaccharide when measured in some material entity. material entity arabinoxylan-oligosaccharide concentration concentration of arabinoxylan-oligosaccharide in material entity A functional attribute that inheres in one or more dietary nutritional component (or food material) and may contribute to a dietary role. The parent term can be changed at any point nutritional functional attribute A physical property that inheres in a food material or one or more dietary nutritional component dietary material physical attribute 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. dietary role 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. human dietary role cas:512-06-1 kegg.compound:C08918 knapsack:C00003597 chebi_ontology Yamogenin CHEBI:10086 Yamogenin 0 C27H42O3 WQLVFSAGQJTQCK-CAKNJAFZSA-N 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 414.63 414.3134 [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@]2([H])O[C@]3(CC[C@H](C)CO3)[C@@H](C)[C@]12[H] cas:512-06-1 cas kegg.compound:C08918 kegg.compound knapsack:C00003597 knapsack Yamogenin kegg.compound A β-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. cas:23513-14-6 hmdb:HMDB0005783 kegg.compound:C10462 knapsack:C00002748 lincs.smallmolecule:LSM-2569 metacyc.compound:CPD-13494 pubmed:22719783 pubmed:23369342 pubmed:23437345 pubmed:23519881 reaxys:5287467 wikipedia.en:Gingerol (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one chebi_ontology (+)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one (S)-(+)-[6]Gingerol (S)-(6)-Gingerol 6-Gingerol [6]-Gingerol CHEBI:10136 gingerol 0 C17H26O4 NLDDIKRKFXEWBK-AWEZNQCLSA-N 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 294.391 294.18311 CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 cas:23513-14-6 cas hmdb:HMDB0005783 hmdb kegg.compound:C10462 kegg.compound knapsack:C00002748 knapsack lincs.smallmolecule:LSM-2569 lincs.smallmolecule metacyc.compound:CPD-13494 metacyc.compound pubmed:22719783 pubmed pubmed:23369342 pubmed pubmed:23437345 pubmed pubmed:23519881 pubmed reaxys:5287467 reaxys wikipedia.en:Gingerol wikipedia.en (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one IUPAC (+)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone chemidplus (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one iupac (S)-(+)-[6]Gingerol kegg.compound (S)-(6)-Gingerol chemidplus 6-Gingerol hmdb 6-Gingerol kegg.compound [6]-Gingerol kegg.compound A carotenol, the structure of which is (6'<i>R</i>)-β,ε-carotene hydroxy-substituted at C-3' with <i>R</i>-stereochemistry. beilstein:2342912 cas:24480-38-4 kegg.compound:C15981 lipidmaps:LMPR01070268 pubmed:16923233 pubmed:19813226 pubmed:2262812 (3'R,6'R)-beta,epsilon-caroten-3'-ol chebi_ontology (3'R,6'R)-beta,epsilon-caroten-3'-ol Alpha-cryptoxanthin alpha-Cryptoxanthin CHEBI:10223 alpha-cryptoxanthin 0 C40H56O ORAKUVXRZWMARG-XBBNTEQGSA-N 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 552.887 552.43312 CC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C beilstein:2342912 beilstein cas:24480-38-4 cas kegg.compound:C15981 kegg.compound lipidmaps:LMPR01070268 lipidmaps pubmed:16923233 pubmed pubmed:19813226 pubmed pubmed:2262812 pubmed (3'R,6'R)-beta,epsilon-caroten-3'-ol IUPAC (3'R,6'R)-beta,epsilon-caroten-3'-ol iupac Alpha-cryptoxanthin uniprot_ft alpha-Cryptoxanthin kegg.compound A carotenol that exhibits antioxidant activity. It has been isolated from fruits such as papaya and oranges. cas:472-70-8 hmdb:HMDB0033844 kegg.compound:C08591 knapsack:C00000920 lipidmaps:LMPR01070269 metacyc.compound:CPD-7409 pubmed:15386932 pubmed:19703237 reaxys:2230123 wikipedia.en:Cryptoxanthin (3R)-beta,beta-caroten-3-ol chebi_ontology (3R)-beta,beta-caroten-3-ol Beta-cryptoxanthin beta-Cryptoxanthin cryptoxanthin CHEBI:10362 beta-cryptoxanthin 0 C40H56O DMASLKHVQRHNES-FKKUPVFPSA-N 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 552.887 552.43312 CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)CCC1 cas:472-70-8 cas hmdb:HMDB0033844 hmdb kegg.compound:C08591 kegg.compound knapsack:C00000920 knapsack lipidmaps:LMPR01070269 lipidmaps metacyc.compound:CPD-7409 metacyc.compound pubmed:15386932 pubmed pubmed:19703237 pubmed reaxys:2230123 reaxys wikipedia.en:Cryptoxanthin wikipedia.en (3R)-beta,beta-caroten-3-ol IUPAC (3R)-beta,beta-caroten-3-ol iupac Beta-cryptoxanthin uniprot_ft beta-Cryptoxanthin kegg.compound cryptoxanthin chemidplus beilstein:8971047 cas:11114-20-8 kegg.compound:C02607 (1->4)-3,6-anhydro-alpha-D-galactopyranosyl-(1->3)-4-O-sulfonato-beta-D-galactopyranan chebi_ontology (1->4)-3,6-anhydro-alpha-D-galactopyranosyl-(1->3)-4-O-sulfonato-beta-D-galactopyranan kappa-Carrageenan CHEBI:10583 kappa-carrageenan -2 (C12H17O12S)n.C12H19O13S ZNOZWUKQPJXOIG-XSBHQQIPSA-L InChI=1S/C24H38O25S2/c25-1-5-14(48-50(33,34)35)9(27)10(28)22(42-5)45-16-8-4-40-19(16)12(30)23(44-8)47-20-13(31)24(43-6(2-26)17(20)49-51(36,37)38)46-15-7-3-39-18(15)11(29)21(32)41-7/h5-32H,1-4H2,(H,33,34,35)(H,36,37,38)/p-2/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14+,15+,16+,17+,18-,19-,20-,21+,22+,23-,24+/m1/s1 788.661 788.09981 [H][C@@]12OC[C@@]([H])(O[C@H](O[C@@H]3[C@@H](O)[C@H](O[C@@H]4[C@]5([H])OC[C@@]4([H])O[C@H](O)[C@@H]5O)O[C@H](CO)[C@@H]3OS(=O)(=O)[O-])[C@@H]1O)[C@@H]2O[C@@H]1O[C@H](CO)[C@H](OS(=O)(=O)[O-])[C@H](O)[C@H]1O beilstein:8971047 beilstein cas:11114-20-8 cas kegg.compound:C02607 kegg.compound (1->4)-3,6-anhydro-alpha-D-galactopyranosyl-(1->3)-4-O-sulfonato-beta-D-galactopyranan IUPAC (1->4)-3,6-anhydro-alpha-D-galactopyranosyl-(1->3)-4-O-sulfonato-beta-D-galactopyranan iupac kappa-Carrageenan kegg.compound cas:121-79-9 hmdb:HMDB0033835 kegg.compound:C11155 kegg.drug:D02382 chebi_ontology Propyl gallate n-Propyl gallate CHEBI:10607 n-propyl gallate 0 C10H12O5 ZTHYODDOHIVTJV-UHFFFAOYSA-N 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 212.201 212.06847 CCCOC(=O)c1cc(O)c(O)c(O)c1 cas:121-79-9 cas hmdb:HMDB0033835 hmdb kegg.compound:C11155 kegg.compound kegg.drug:D02382 kegg.drug Propyl gallate kegg.compound n-Propyl gallate kegg.compound A perillyl alcohol in which the chiral centre has <i>S</i> configuration. cas:18457-55-1 cas:536-59-4 kegg.compound:C02452 knapsack:C00010885 lipidmaps:LMPR0102090008 metacyc.compound:CPD-261 pubmed:24125633 pubmed:24623736 pubmed:28233648 reaxys:2501605 [(4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol chebi_ontology (-)-Perillylalcohol (4S)-perillyl alcohol 4-isopropenylcyclohex-1-en-1-ylmethanol Perillyl alcohol [(4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol p-Mentha-1,8-dien-7-ol CHEBI:10782 (S)-(-)-perillyl alcohol 0 C10H16O NDTYTMIUWGWIMO-SNVBAGLBSA-N 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 152.237 152.12012 C=C(C)[C@@H]1CC=C(CO)CC1 cas:18457-55-1 cas cas:536-59-4 cas kegg.compound:C02452 kegg.compound knapsack:C00010885 knapsack lipidmaps:LMPR0102090008 lipidmaps metacyc.compound:CPD-261 metacyc.compound pubmed:24125633 pubmed pubmed:24623736 pubmed pubmed:28233648 pubmed reaxys:2501605 reaxys [(4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol IUPAC (-)-Perillylalcohol kegg.compound (4S)-perillyl alcohol uniprot_ft 4-isopropenylcyclohex-1-en-1-ylmethanol chebi Perillyl alcohol kegg.compound [(4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol iupac p-Mentha-1,8-dien-7-ol kegg.compound A prenylated member of the class of pterocarpans and an organic heteropentacyclic compound that is 2,3,6b,12b-tetrahydro-1<em>H</em>,7<em>H</em>-chromeno[6',5':4,5]furo[3,2-<em>c</em>]chromen-10-ol in which both of the hydrogens at position 3 have been replaced by methyl groups (the <i>R</i>,<i>R</i> stereoisomer). It is found in found in the seeds of <em>Phaseolus vulgaris</em> (French bean) and in the stems of <em>Erythrina subumbrans</em>. cas:13401-40-6 hmdb:HMDB0034173 kegg.compound:C10514 knapsack:C00002559 lipidmaps:LMPK12070020 pubmed:17964704 wikipedia.en:Phaseolin_(pterocarpan) (6bR,12bR)-3,3-dimethyl-2,3,6b,12b-tetrahydro-1H,7H-chromeno[6',5':4,5]furo[3,2-c]chromen-10-ol chebi_ontology (-)-Phaseollin (6bR,12bR)-3,3-dimethyl-2,3,6b,12b-tetrahydro-1H,7H-chromeno[6',5':4,5]furo[3,2-c]chromen-10-ol phaseolin phaseollin CHEBI:108 (-)-phaseolin 0 C20H20O4 YAHJJEDSBUXVRQ-KXBFYZLASA-N 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 324.376 324.13616 [H][C@@]12COc3cc(O)ccc3[C@]1([H])Oc1c2ccc2c1CCC(C)(C)O2 cas:13401-40-6 cas hmdb:HMDB0034173 hmdb kegg.compound:C10514 kegg.compound knapsack:C00002559 knapsack lipidmaps:LMPK12070020 lipidmaps pubmed:17964704 pubmed wikipedia.en:Phaseolin_(pterocarpan) wikipedia.en (6bR,12bR)-3,3-dimethyl-2,3,6b,12b-tetrahydro-1H,7H-chromeno[6',5':4,5]furo[3,2-c]chromen-10-ol IUPAC (-)-Phaseollin kegg.compound (6bR,12bR)-3,3-dimethyl-2,3,6b,12b-tetrahydro-1H,7H-chromeno[6',5':4,5]furo[3,2-c]chromen-10-ol iupac phaseolin kegg.compound phaseollin chebi A 3-<em>sn</em>-glycerophosphoserine compound having acyl substituents at the 1- and 2-hydroxy positions. CHEBI:64388 kegg.compound:C02737 lipidmaps:LMGP03010000 pubmed:16341241 phosphatidylserine chebi_ontology 1,2-diacyl-sn-glycero-3-phospho-L-serine 1,2-diacyl-sn-glycerol 3-phospho-L-serine 1-D-phosphatidyl-L-serine 3-L-phosphatidyl-L-serine 3-O-sn-phosphatidyl-L-serine 3-sn-phosphatidyl-L-serines L-alpha-phosphatidylserine CHEBI:11750 3-sn-phosphatidyl-L-serine 0 C8H12NO10PR2 313.156 313.01988 [1*]C(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)OC([2*])=O kegg.compound:C02737 kegg.compound lipidmaps:LMGP03010000 lipidmaps pubmed:16341241 pubmed 1,2-diacyl-sn-glycero-3-phospho-L-serine chebi 1,2-diacyl-sn-glycerol 3-phospho-L-serine lipidmaps 1-D-phosphatidyl-L-serine chebi 3-L-phosphatidyl-L-serine chebi 3-O-sn-phosphatidyl-L-serine kegg.compound 3-sn-phosphatidyl-L-serines kegg.compound L-alpha-phosphatidylserine chebi cas:3187-52-8 kegg.compound:C10539 knapsack:C00002582 chebi_ontology (-)-Variabilin CHEBI:123 (-)-Variabilin 0 C17H16O5 VVPGAJNPGZZNBM-SJORKVTESA-N 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 300.31 300.09977 [H][C@]12Oc3cc(OC)ccc3[C@@]1(O)COc1cc(OC)ccc12 cas:3187-52-8 cas kegg.compound:C10539 kegg.compound knapsack:C00002582 knapsack (-)-Variabilin kegg.compound hmdb:HMDB0030583 lincs.smallmolecule:LSM-36943 chebi_ontology IN00106 silymarin CHEBI:125451 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 0 C25H22O10 SEBFKMXJBCUCAI-UHFFFAOYSA-N 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 482.441 482.1213 COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2CO)ccc1O hmdb:HMDB0030583 hmdb lincs.smallmolecule:LSM-36943 lincs.smallmolecule IN00106 chebi 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. metacyc.compound:Vitamin-A wikipedia.en:Vitamin_A chebi_ontology vitamin A vitamer vitamin A vitamers vitamin-A vitamins A CHEBI:12777 vitamin A metacyc.compound:Vitamin-A metacyc.compound wikipedia.en:Vitamin_A wikipedia.en vitamin A vitamer chebi vitamin A vitamers chebi vitamin-A chebi vitamins A chebi An inorganic phosphate having Fe(3+) as the counterion. cas:10045-86-0 ppdb:1478 pubmed:25582353 reaxys:11343340 wikipedia.en:Iron(III)_phosphate iron(3+) phosphate chebi_ontology FePO4 Ferric orthophosphate Iron orthophosphate Iron phosphate ferric phosphate iron(3+) phosphate iron(III) phosphate CHEBI:131371 iron(3+) phosphate 0 Fe.O4P WBJZTOZJJYAKHQ-UHFFFAOYSA-K InChI=1S/Fe.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3 150.815 150.88836 O=P([O-])([O-])[O-].[Fe+3] cas:10045-86-0 cas ppdb:1478 ppdb pubmed:25582353 pubmed reaxys:11343340 reaxys wikipedia.en:Iron(III)_phosphate wikipedia.en iron(3+) phosphate IUPAC FePO4 chebi Ferric orthophosphate chemidplus Iron orthophosphate chemidplus Iron phosphate chemidplus ferric phosphate chebi iron(3+) phosphate iupac iron(III) phosphate chebi A docosatetraenoic acid in which the four double bonds are located at positions 7, 10, 13 and 16 (geometry unspecified). chemspider:1955 reaxys:1914610 docosa-7,10,13,16-tetraenoic acid chebi_ontology docosa-7,10,13,16-tetraenoic acid docosatetraenoic acid CHEBI:131693 7,10,13,16-docosatetraenoic acid 0 C22H36O2 TWSWSIQAPQLDBP-UHFFFAOYSA-N 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) 332.528 332.27153 CCCCCC=CCC=CCC=CCC=CCCCCCC(=O)O chemspider:1955 chemspider reaxys:1914610 reaxys docosa-7,10,13,16-tetraenoic acid IUPAC docosa-7,10,13,16-tetraenoic acid iupac 1,2-naphthoquinones A naphthoquinone in which the oxo groups of the quinone moiety are at positions 1 and 4 of the parent naphthalene ring. chebi_ontology CHEBI:132142 1,4-naphthoquinones An organic sodium salt consisting of sodium and oxalate ions in a 2:1 ratio. cas:62-76-0 pubmed:26898643 pubmed:26974482 pubmed:27064297 pubmed:27085940 reaxys:3631622 wikipedia.en:Sodium_oxalate disodium ethanedioate chebi_ontology Disodium oxalate Ethanedioic acid, disodium salt Natriumoxalat Oxalic acid, disodium salt disodium ethanedioate CHEBI:132764 sodium oxalate 0 C2O4.2Na ZNCPFRVNHGOPAG-UHFFFAOYSA-L InChI=1S/C2H2O4.2Na/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2 133.998 133.9592 O=C([O-])C(=O)[O-].[Na+].[Na+] cas:62-76-0 cas pubmed:26898643 pubmed pubmed:26974482 pubmed pubmed:27064297 pubmed pubmed:27085940 pubmed reaxys:3631622 reaxys wikipedia.en:Sodium_oxalate wikipedia.en disodium ethanedioate IUPAC Disodium oxalate chemidplus Ethanedioic acid, disodium salt chemidplus Natriumoxalat chemidplus Oxalic acid, disodium salt chemidplus disodium ethanedioate iupac A glycoside that is the α-<small>L</small>-rhamnosyl-(1→3)-β-<small>D</small>-glucoside of hydroxytyrosol in which the hydroxy group at position 4 of the glucopyranosyl moiety has undergone esterification by formal condensation with <i>trans</i>-caffeic acid. CHEBI:9953 cas:61276-17-3 hmdb:HMDB0034843 kegg.compound:C10501 knapsack:C00002783 pubmed:10432210 pubmed:25628651 pubmed:25900014 pubmed:25900087 pubmed:26427909 pubmed:26453510 pubmed:26700563 pubmed:26827721 pubmed:26856531 pubmed:26981096 pubmed:26990576 pubmed:27096224 pubmed:27125592 pubmed:27191581 pubmed:27223850 pubmed:27326537 pubmed:27428333 reaxys:1278646 wikipedia.en:Verbascoside 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 chebi_ontology 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 2-(3,4-dihydroxyphenyl)ethyl 3-O-(alpha-L-rhamnopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside kusaginin verbascoside CHEBI:132853 acteoside 0 C29H36O15 FBSKJMQYURKNSU-ZLSOWSIRSA-N 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 624.592 624.20542 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O cas:61276-17-3 cas hmdb:HMDB0034843 hmdb kegg.compound:C10501 kegg.compound knapsack:C00002783 knapsack pubmed:10432210 pubmed pubmed:25628651 pubmed pubmed:25900014 pubmed pubmed:25900087 pubmed pubmed:26427909 pubmed pubmed:26453510 pubmed pubmed:26700563 pubmed pubmed:26827721 pubmed pubmed:26856531 pubmed pubmed:26981096 pubmed pubmed:26990576 pubmed pubmed:27096224 pubmed pubmed:27125592 pubmed pubmed:27191581 pubmed pubmed:27223850 pubmed pubmed:27326537 pubmed pubmed:27428333 pubmed reaxys:1278646 reaxys wikipedia.en:Verbascoside wikipedia.en 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 IUPAC 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 iupac 2-(3,4-dihydroxyphenyl)ethyl 3-O-(alpha-L-rhamnopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside chebi kusaginin chemidplus verbascoside chemidplus A glycosyloxyisoflavone that is glycitin carrying an acetyl substituent at position 6 on the glucose moiety. agr:IND43644848 agr:IND44656670 agr:IND604381583 cas:134859-96-4 chemspider:8403585 hmdb:HMDB0039489 knapsack:C00019122 pubmed:11879011 pubmed:16038195 pubmed:18729453 pubmed:19256558 pubmed:21614173 pubmed:22980879 pubmed:9848519 reaxys:4341444 3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-1-benzopyran-7-yl 6-O-acetyl-beta-D-glucopyranoside acetyl glycitin chebi_ontology 3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-1-benzopyran-7-yl 6-O-acetyl-beta-D-glucopyranoside 6''-O-Acetylglycitin 7,4'-Dihydroxy-6-methoxyisoflavone 7-O-(6''-acetylglucoside) Acetylglycitin Glycitein 6''-O-acetylglucoside Glycitein 7-(6-O-acetyl-beta-D-glucopyranoside) Glycitin 6''-O-acetate glycitein 7-O-beta-D-(6''-O-acetyl)glucopyranoside glycitein 7-O-beta-D-(6''-O-acetyl)glucoside CHEBI:133348 glycitein 7-(6-O-acetyl-beta-D-glucoside) 0 C24H24O11 DUBPGEJGGVZKDD-PFKOEMKTSA-N 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 488.445 488.13186 COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O agr:IND43644848 agr agr:IND44656670 agr agr:IND604381583 agr cas:134859-96-4 cas chemspider:8403585 chemspider hmdb:HMDB0039489 hmdb knapsack:C00019122 knapsack pubmed:11879011 pubmed pubmed:16038195 pubmed pubmed:18729453 pubmed pubmed:19256558 pubmed pubmed:21614173 pubmed pubmed:22980879 pubmed pubmed:9848519 pubmed reaxys:4341444 reaxys 3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-1-benzopyran-7-yl 6-O-acetyl-beta-D-glucopyranoside IUPAC 3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-1-benzopyran-7-yl 6-O-acetyl-beta-D-glucopyranoside iupac 6''-O-Acetylglycitin hmdb 7,4'-Dihydroxy-6-methoxyisoflavone 7-O-(6''-acetylglucoside) knapsack Acetylglycitin chemidplus Glycitein 6''-O-acetylglucoside chemidplus Glycitein 7-(6-O-acetyl-beta-D-glucopyranoside) chemidplus Glycitin 6''-O-acetate chemidplus glycitein 7-O-beta-D-(6''-O-acetyl)glucopyranoside chebi glycitein 7-O-beta-D-(6''-O-acetyl)glucoside chebi An anthocyanidin glycoside that is pelargonidin in which the two phenolic hydrogens at positions 3 and 5 have been replaced by β-<small>D</small>-glucosyl residues. CHEBI:7951 agr:IND20370875 agr:IND44068587 agr:IND44185850 agr:IND44517122 agr:IND500657886 cas:17334-58-6 chemspider:390369 hmdb:HMDB0033681 kegg.compound:C08725 knapsack:C00002387 lipidmaps:LMPK12010015 pubmed:10637045 pubmed:16395794 pubmed:21936496 pubmed:23132311 pubmed:23216001 pubmed:24493900 pubmed:25650327 reaxys:3827597 wikipedia.en:Pelargonin 3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyran-1-ium-5-yl beta-D-glucopyranoside chebi_ontology 3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyran-1-ium-5-yl beta-D-glucopyranoside Pelargonidin 3,5-di-beta-D-glucopyranoside Pelargonidin 3,5-di-beta-D-glucoside Pelargonidin 3,5-diglucoside pelargonidin 3,5-O-diglucoside pelargonidin 3,5-di-O-beta-D-glucoside pelargonidin 3,5-di-O-beta-glucoside CHEBI:133365 pelargonin 1 C27H31O15 SLCKJKWFULXZBD-ZOTFFYTFSA-O 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 595.53 595.16575 OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)cc3[o+]c2-c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O agr:IND20370875 agr agr:IND44068587 agr agr:IND44185850 agr agr:IND44517122 agr agr:IND500657886 agr cas:17334-58-6 cas chemspider:390369 chemspider hmdb:HMDB0033681 hmdb kegg.compound:C08725 kegg.compound knapsack:C00002387 knapsack lipidmaps:LMPK12010015 lipidmaps pubmed:10637045 pubmed pubmed:16395794 pubmed pubmed:21936496 pubmed pubmed:23132311 pubmed pubmed:23216001 pubmed pubmed:24493900 pubmed pubmed:25650327 pubmed reaxys:3827597 reaxys wikipedia.en:Pelargonin wikipedia.en 3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyran-1-ium-5-yl beta-D-glucopyranoside IUPAC 3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyran-1-ium-5-yl beta-D-glucopyranoside iupac Pelargonidin 3,5-di-beta-D-glucopyranoside hmdb Pelargonidin 3,5-di-beta-D-glucoside kegg.compound Pelargonidin 3,5-diglucoside hmdb pelargonidin 3,5-O-diglucoside chebi pelargonidin 3,5-di-O-beta-D-glucoside chebi pelargonidin 3,5-di-O-beta-glucoside chebi A 2-acyl-4,6-diprenylphloroglucinol in which the acyl group is specified as 3-methylbutanoyl. cas:4374-93-0 hmdb:HMDB0036624 metacyc.compound:CPD-7105 pubmed:25564559 reaxys:2061212 chebi_ontology 3,5-Bis(3-methyl-2-butenyl)phlorisovalerophenone 3,5-diprenylphlorisovalerophenone 4-Deoxy-humulone 4-Deoxyhumulone deoxyhumulone diprenylphlorisovalerophenone CHEBI:134345 deoxyhumulone 0 C21H30O4 NQYBQBZOHCACCR-UHFFFAOYSA-N 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 346.467 346.21441 CC(C)=CCc1c(O)c(CC=C(C)C)c(O)c(C(=O)CC(C)C)c1O cas:4374-93-0 cas hmdb:HMDB0036624 hmdb metacyc.compound:CPD-7105 metacyc.compound pubmed:25564559 pubmed reaxys:2061212 reaxys 3,5-Bis(3-methyl-2-butenyl)phlorisovalerophenone hmdb 3,5-diprenylphlorisovalerophenone chebi 4-Deoxy-humulone hmdb 4-Deoxyhumulone chemidplus deoxyhumulone uniprot_ft diprenylphlorisovalerophenone metacyc.compound A biflavonoid that is 3,4,5-trihydroxybenzocyclohepten-6-one which is substituted at positions 1 and 8 by (2<i>R</i>,3<i>R</i>)-3,5,7-trihydroxy-3,4-dihydro-2<em>H</em>-chromen-2-yl groups. It is the main red pigment in black tea. cas:4670-05-7 chemspider:102754 foodb.food:FDB012511 hmdb:HMDB0005788 knapsack:C00009348 patent:KR20080052675 pubmed:26386739 pubmed:26851019 pubmed:27237789 pubmed:27756182 pubmed:27838465 pubmed:28190756 pubmed:28381812 pubmed:28639145 pubmed:28939421 reaxys:25497520 wikipedia.en:Theaflavin 3,4,5-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-6H-benzocyclohepten-6-one chebi_ontology (-)-theaflavin 1,8-bis((2R,3R)-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3,4,6-trihydroxy-5H-benzocyclohepten-5-one 1,8-bis(3-alpha,5,7-trihydroxy-2-alpha-chromanyl)-5H-benzocyclohepten-5-one 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 3,4,5-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-6H-benzocyclohepten-6-one theaflavine CHEBI:136609 theaflavin 0 C29H24O12 IPMYMEWFZKHGAX-ZKSIBHASSA-N 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 564.499 564.12678 [H][C@]1(c2cc(=O)c(O)c3c(O)c(O)cc([C@@]4([H])Oc5cc(O)cc(O)c5C[C@H]4O)c3c2)Oc2cc(O)cc(O)c2C[C@H]1O cas:4670-05-7 cas chemspider:102754 chemspider foodb.food:FDB012511 foodb.food hmdb:HMDB0005788 hmdb knapsack:C00009348 knapsack patent:KR20080052675 patent pubmed:26386739 pubmed pubmed:26851019 pubmed pubmed:27237789 pubmed pubmed:27756182 pubmed pubmed:27838465 pubmed pubmed:28190756 pubmed pubmed:28381812 pubmed pubmed:28639145 pubmed pubmed:28939421 pubmed reaxys:25497520 reaxys wikipedia.en:Theaflavin wikipedia.en 3,4,5-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-6H-benzocyclohepten-6-one IUPAC (-)-theaflavin chebi 1,8-bis((2R,3R)-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3,4,6-trihydroxy-5H-benzocyclohepten-5-one chemidplus 1,8-bis(3-alpha,5,7-trihydroxy-2-alpha-chromanyl)-5H-benzocyclohepten-5-one chemidplus 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 iupac 3,4,5-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-6H-benzocyclohepten-6-one iupac theaflavine chemidplus A trimethoxyflavone that is 6-hydroxyluteolin in which the phenolic hydogens at positions 4', 6 and 7 have been replaced by methyl groups. agr:IND43745404 agr:IND605417569 cas:855-96-9 chemspider:87743 knapsack:C00003894 lipidmaps:LMPK12111239 pubmed:18454852 pubmed:19601638 pubmed:22227008 pubmed:22516932 pubmed:22698713 pubmed:22898066 pubmed:23839090 pubmed:24422962 pubmed:25390937 pubmed:25442272 pubmed:25598631 pubmed:26281557 pubmed:26322527 pubmed:26404257 pubmed:26649063 pubmed:26983579 pubmed:27187805 pubmed:27370961 pubmed:27470387 pubmed:27679866 pubmed:27695261 pubmed:27834876 pubmed:27991400 pubmed:28044092 pubmed:28347190 pubmed:29373904 pubmed:5847037 pubmed:905420 reaxys:1355109 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one chebi_ontology 3',5-Dihydroxy-4',6,7-trimethoxyflavone 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one Eupatorine eupatorin CHEBI:136666 eupatorin 0 C18H16O7 KLAOKWJLUQKWIF-UHFFFAOYSA-N 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 344.319 344.0896 COc1ccc(-c2cc(=O)c3c(O)c(OC)c(OC)cc3o2)cc1O agr:IND43745404 agr agr:IND605417569 agr cas:855-96-9 cas chemspider:87743 chemspider knapsack:C00003894 knapsack lipidmaps:LMPK12111239 lipidmaps pubmed:18454852 pubmed pubmed:19601638 pubmed pubmed:22227008 pubmed pubmed:22516932 pubmed pubmed:22698713 pubmed pubmed:22898066 pubmed pubmed:23839090 pubmed pubmed:24422962 pubmed pubmed:25390937 pubmed pubmed:25442272 pubmed pubmed:25598631 pubmed pubmed:26281557 pubmed pubmed:26322527 pubmed pubmed:26404257 pubmed pubmed:26649063 pubmed pubmed:26983579 pubmed pubmed:27187805 pubmed pubmed:27370961 pubmed pubmed:27470387 pubmed pubmed:27679866 pubmed pubmed:27695261 pubmed pubmed:27834876 pubmed pubmed:27991400 pubmed pubmed:28044092 pubmed pubmed:28347190 pubmed pubmed:29373904 pubmed pubmed:5847037 pubmed pubmed:905420 pubmed reaxys:1355109 reaxys 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one IUPAC 3',5-Dihydroxy-4',6,7-trimethoxyflavone knapsack 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one iupac Eupatorine chemidplus eupatorin uniprot_ft A β-carotene carrying one additional hydroxy substituent at position 4. metacyc.compound:CPD-17650 pubmed:15659105 trans-beta-carotene chebi_ontology 4-hydroxy-all-trans-beta-carotene 4-hydroxy-beta-carotene beta-caroten-4-ol isocryptoxanthin CHEBI:140677 4-hydroxy-all-trans-beta-carotene 0 C40H56O JCRCKXUPYKELBT-QQGJMDNJSA-N 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+ 552.887 552.43312 CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(O)CCC2(C)C)C(C)(C)CCC1 metacyc.compound:CPD-17650 metacyc.compound pubmed:15659105 pubmed 4-hydroxy-all-trans-beta-carotene uniprot_ft 4-hydroxy-beta-carotene submitter beta-caroten-4-ol submitter isocryptoxanthin submitter A cyclic ketone isolated from the bark of <em>Morella</em> species and has been shown to exhibit cytotoxic activity against cancer cells. cas:32492-74-3 foodb.food:FDB002739 hmdb:HMDB0030798 knapsack:C00033235 pubmed:10996724 pubmed:11848211 pubmed:12413852 pubmed:23066712 pubmed:23972241 pubmed:24299604 pubmed:24810013 pubmed:25720464 pubmed:27492128 pubmed:29257058 reaxys:2064341 wikipedia.en:Myricanone chebi_ontology CHEBI:141540 Myricanone 0 C21H24O5 ZTSNTUQTNQSIDC-UHFFFAOYSA-N 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 356.418 356.16237 COc1c2cc(c(O)c1OC)CCCCC(=O)CCc1ccc(O)c-2c1 cas:32492-74-3 cas foodb.food:FDB002739 foodb.food hmdb:HMDB0030798 hmdb knapsack:C00033235 knapsack pubmed:10996724 pubmed pubmed:11848211 pubmed pubmed:12413852 pubmed pubmed:23066712 pubmed pubmed:23972241 pubmed pubmed:24299604 pubmed pubmed:24810013 pubmed pubmed:25720464 pubmed pubmed:27492128 pubmed pubmed:29257058 pubmed reaxys:2064341 reaxys wikipedia.en:Myricanone wikipedia.en chemspider:30777638 hmdb:HMDB0041753 chebi_ontology CHEBI:142263 isopeonidin 3-rutinoside 1 C28H33O15 CLKYQBTVJZYKOK-HUJUZFAXSA-O 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 609.557 609.1814 COc1ccc(-c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1O chemspider:30777638 chemspider hmdb:HMDB0041753 hmdb An acetophenone substituted by a sulfooxy group at position 2 and by a hydroxy group at position 4. foodb.food:FDB029801 hmdb:HMDB0041646 pubchem.compound:10657183 2-acetyl-5-hydroxyphenyl hydrogen sulfate chebi_ontology 2,4-dihydroxyacetophenone 5-sulfate 2-acetyl-5-hydroxyphenyl hydrogen sulfate CHEBI:143237 2-O-sulfate-4-hydroxyacetophenone 0 C8H8O6S COXWPCPYWFBNJH-UHFFFAOYSA-N 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) 232.213 232.00416 CC(=O)c1ccc(O)cc1OS(=O)(=O)O foodb.food:FDB029801 foodb.food hmdb:HMDB0041646 hmdb pubchem.compound:10657183 pubchem.compound 2-acetyl-5-hydroxyphenyl hydrogen sulfate IUPAC 2,4-dihydroxyacetophenone 5-sulfate chebi 2-acetyl-5-hydroxyphenyl hydrogen sulfate iupac A rebaudioside that is rubusoside in which the hydroxy groups at positions 3 and 4 of the β-<small>D</small>-glucopyranosyloxy group at the 13α position have both been converted to the corresponding β-<small>D</small>-glucopyranoside. agr:IND606339833 cas:58543-16-1 foodb.food:FDB013543 hmdb:HMDB0034950 knapsack:C00023175 metacyc.compound:CPD-14506 pubmed:15610349 pubmed:25353385 pubmed:26776281 pubmed:27352150 pubmed:27638403 pubmed:28218969 pubmed:29262312 pubmed:29355553 pubmed:29433626 pubmed:29461634 pubmed:29655729 pubmed:30291959 pubmed:30666114 pubmed:30883860 pubmed:31030274 pubmed:31159256 pubmed:31324778 wikipedia.en:Rebaudioside_A 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 chebi_ontology 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 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 19-O-beta-glucopyranosyl-13-O-(beta-glucopyranosyl(1-2)-beta-glucopyranosyl(1-3))-beta-glucopyranosyl-13-hydroxykaur-16-en-19-oic acid 19-O-beta-glucopyranosyl-13-O-(beta-glucopyranosyl(1-2)-beta-glucopyranosyl(1-3))-beta-glucopyranosylsteviol Reb A Reb-A Stevia Sweetener 4G-S rebaudioside A rebaudioside-A CHEBI:145012 rebaudioside A 0 C44H70O23 HELXLJCILKEWJH-NCGAPWICSA-N 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 967.021 966.43079 [H][C@]12CC[C@]34CC(=C)[C@](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)(CC[C@@]3([H])[C@]1(C)CCC[C@@]2(C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C4 agr:IND606339833 agr cas:58543-16-1 cas foodb.food:FDB013543 foodb.food hmdb:HMDB0034950 hmdb knapsack:C00023175 knapsack metacyc.compound:CPD-14506 metacyc.compound pubmed:15610349 pubmed pubmed:25353385 pubmed pubmed:26776281 pubmed pubmed:27352150 pubmed pubmed:27638403 pubmed pubmed:28218969 pubmed pubmed:29262312 pubmed pubmed:29355553 pubmed pubmed:29433626 pubmed pubmed:29461634 pubmed pubmed:29655729 pubmed pubmed:30291959 pubmed pubmed:30666114 pubmed pubmed:30883860 pubmed pubmed:31030274 pubmed pubmed:31159256 pubmed pubmed:31324778 pubmed wikipedia.en:Rebaudioside_A wikipedia.en 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 IUPAC 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 iupac 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 iupac 19-O-beta-glucopyranosyl-13-O-(beta-glucopyranosyl(1-2)-beta-glucopyranosyl(1-3))-beta-glucopyranosyl-13-hydroxykaur-16-en-19-oic acid chemidplus 19-O-beta-glucopyranosyl-13-O-(beta-glucopyranosyl(1-2)-beta-glucopyranosyl(1-3))-beta-glucopyranosylsteviol chemidplus Reb A chemidplus Reb-A chemidplus Stevia chebi Sweetener 4G-S chemidplus rebaudioside A uniprot_ft rebaudioside-A chemidplus A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of rebaudioside B. The major species at pH 7.3. metacyc.compound:CPD-14507 pubmed:15610349 pubmed:31324778 13alpha-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}-5beta,8alpha,9beta,10alpha-kaur-16-en-18-oate chebi_ontology 13alpha-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}-5beta,8alpha,9beta,10alpha-kaur-16-en-18-oate rebaudioside B rebaudioside B anion stevioside a4(1-) CHEBI:145013 rebaudioside B(1-) -1 C38H59O18 DRSKVOAJKLUMCL-MMUIXFKXSA-M 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 803.872 803.37069 [H][C@]12CC[C@]34CC(=C)[C@](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)(CC[C@@]3([H])[C@]1(C)CCC[C@@]2(C)C(=O)[O-])C4 metacyc.compound:CPD-14507 metacyc.compound pubmed:15610349 pubmed pubmed:31324778 pubmed 13alpha-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}-5beta,8alpha,9beta,10alpha-kaur-16-en-18-oate IUPAC 13alpha-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}-5beta,8alpha,9beta,10alpha-kaur-16-en-18-oate iupac rebaudioside B uniprot_ft rebaudioside B anion chebi stevioside a4(1-) chebi A rebaudioside that is stevioside in which the hydroxy group at position 2 of the glucosyl ester moiety has been converted into the corresponding β-<small>D</small>-glucoside. cas:63279-14-1 patent:EP1361870 patent:WO02060419 pubmed:24758242 pubmed:26003514 pubmed:29889557 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 chebi_ontology (-)-rebaudioside E (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 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 rebaudioside E CHEBI:145018 rebaudioside E 0 C44H70O23 RLLCWNUIHGPAJY-SFUUMPFESA-N 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 967.021 966.43079 [H][C@]12CC[C@]34CC(=C)[C@](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)(CC[C@@]3([H])[C@]1(C)CCC[C@@]2(C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C4 cas:63279-14-1 cas patent:EP1361870 patent patent:WO02060419 patent pubmed:24758242 pubmed pubmed:26003514 pubmed pubmed:29889557 pubmed 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 IUPAC (-)-rebaudioside E chemidplus (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 iupac 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 iupac rebaudioside E uniprot_ft A rebaudioside that is rebaudioside A in which the hydroxy group at position 2 of the β-<small>D</small>-glucosyl ester moiety has been converted to the corresponding β-<small>D</small>-glucoside. Found in minute quantities in the leaves of <em>Stevia rebaudiana</em>. cas:63279-13-0 foodb.food:FDB013541 hmdb:HMDB0034948 knapsack:C00036203 patent:US2010316782 patent:US2011104353 patent:WO2010146463 patent:WO2011056834 pubmed:23203115 pubmed:23766392 pubmed:24187601 pubmed:25233591 pubmed:25529720 pubmed:27923373 pubmed:29680056 pubmed:31182573 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 chebi_ontology (-)-rebaudioside D 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 Reb D Reb-D rebaudioside D rebaudioside-D CHEBI:145022 rebaudioside D 0 C50H80O28 RPYRMTHVSUWHSV-CUZJHZIBSA-N 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 1129.162 1128.48361 [H][C@]12CC[C@]34CC(=C)[C@](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)(CC[C@@]3([H])[C@]1(C)CCC[C@@]2(C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C4 cas:63279-13-0 cas foodb.food:FDB013541 foodb.food hmdb:HMDB0034948 hmdb knapsack:C00036203 knapsack patent:US2010316782 patent patent:US2011104353 patent patent:WO2010146463 patent patent:WO2011056834 patent pubmed:23203115 pubmed pubmed:23766392 pubmed pubmed:24187601 pubmed pubmed:25233591 pubmed pubmed:25529720 pubmed pubmed:27923373 pubmed pubmed:29680056 pubmed pubmed:31182573 pubmed 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 IUPAC (-)-rebaudioside D chemidplus 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 iupac Reb D chebi Reb-D chebi rebaudioside D uniprot_ft rebaudioside-D chebi 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. pubmed:29537255 pubmed:29863335 pubmed:30466787 pubmed:30506508 pubmed:30897351 pubmed:31063378 pubmed:31195254 pubmed:31295559 pubmed:31438580 pubmed:31491712 wikipedia.en:Steviol_glycoside chebi_ontology steviol glycosides CHEBI:145027 steviol glycoside pubmed:29537255 pubmed pubmed:29863335 pubmed pubmed:30466787 pubmed pubmed:30506508 pubmed pubmed:30897351 pubmed pubmed:31063378 pubmed pubmed:31195254 pubmed pubmed:31295559 pubmed pubmed:31438580 pubmed pubmed:31491712 pubmed wikipedia.en:Steviol_glycoside wikipedia.en steviol glycosides chebi An aryl β-<small>D</small>-glucoside that is phloretin attached to a β-<small>D</small>-glucopyranosyl residue at position 4' via a glycosidic linkage. It is isolated from the leaves of the Chinese sweet tea <em>Lithocarpus polystachyus</em> and exhibits significant anti-hyperglycemic, anti-oxidative and anti-inflammatory properties. agr:IND601124268 agr:IND605946551 agr:IND606090210 cas:4192-90-9 foodb.food:FDB016580 hmdb:HMDB0037505 knapsack:C00007991 lipidmaps:LMPK12120518 pubmed:22792798 pubmed:23562371 pubmed:25053100 pubmed:26363372 pubmed:27893760 pubmed:28450013 pubmed:29757201 pubmed:29802645 pubmed:29865928 pubmed:31540429 3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl beta-D-glucopyranoside chebi_ontology 1-(4-(beta-D-glucopyranosyloxy)-2,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone 3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl beta-D-glucopyranoside p-phloridzin p-phlorizin phloretin-4'-beta-D-glucopyranoside phloretin-4'-beta-D-glucoside trilobatin CHEBI:145829 trilobatin 0 C21H24O10 GSTCPEBQYSOEHV-QNDFHXLGSA-N 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 436.413 436.13695 O=C(CCc1ccc(O)cc1)c1c(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O agr:IND601124268 agr agr:IND605946551 agr agr:IND606090210 agr cas:4192-90-9 cas foodb.food:FDB016580 foodb.food hmdb:HMDB0037505 hmdb knapsack:C00007991 knapsack lipidmaps:LMPK12120518 lipidmaps pubmed:22792798 pubmed pubmed:23562371 pubmed pubmed:25053100 pubmed pubmed:26363372 pubmed pubmed:27893760 pubmed pubmed:28450013 pubmed pubmed:29757201 pubmed pubmed:29802645 pubmed pubmed:29865928 pubmed pubmed:31540429 pubmed 3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl beta-D-glucopyranoside IUPAC 1-(4-(beta-D-glucopyranosyloxy)-2,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone chemidplus 3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl beta-D-glucopyranoside iupac p-phloridzin chemidplus p-phlorizin chemidplus phloretin-4'-beta-D-glucopyranoside chebi phloretin-4'-beta-D-glucoside chebi trilobatin uniprot_ft A 5-alkylresorcinol that is resorcinol which is substituted by a heptadecyl group at position 5. It is found in wheat bran. agr:IND601124237 cas:41442-57-3 foodb.food:FDB017915 hmdb:HMDB0038530 lipidmaps:LMPK15030003 pubmed:15241924 pubmed:17542491 pubmed:18297470 pubmed:21658963 pubmed:28252007 pubmed:8579682 reaxys:2287460 5-heptadecylbenzene-1,3-diol chebi_ontology 1,3-dihydroxy-5-n-heptadecylbenzene 5-heptadecyl-1,3-benzenediol 5-heptadecyl-1,3-dihydroxybenzene 5-heptadecylbenzene-1,3-diol 5-heptadecylresorcinol 5-n-heptadecylresorcinol CHEBI:145967 5-heptadecylresorcinol 0 C23H40O2 BBGNINPPDHJETF-UHFFFAOYSA-N 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 348.571 348.30283 CCCCCCCCCCCCCCCCCc1cc(O)cc(O)c1 agr:IND601124237 agr cas:41442-57-3 cas foodb.food:FDB017915 foodb.food hmdb:HMDB0038530 hmdb lipidmaps:LMPK15030003 lipidmaps pubmed:15241924 pubmed pubmed:17542491 pubmed pubmed:18297470 pubmed pubmed:21658963 pubmed pubmed:28252007 pubmed pubmed:8579682 pubmed reaxys:2287460 reaxys 5-heptadecylbenzene-1,3-diol IUPAC 1,3-dihydroxy-5-n-heptadecylbenzene chebi 5-heptadecyl-1,3-benzenediol chebi 5-heptadecyl-1,3-dihydroxybenzene chebi 5-heptadecylbenzene-1,3-diol iupac 5-heptadecylresorcinol chebi 5-n-heptadecylresorcinol lipidmaps A 5-alkylresorcinol that is resorcinol which is substituted by a tricosyl group at position 5. It is found in wheat bran. cas:70110-60-0 foodb.food:FDB017907 hmdb:HMDB0038524 lipidmaps:LMPK15030006 pubmed:11140535 pubmed:15241924 pubmed:18998408 pubmed:21658963 pubmed:28208738 pubmed:30795501 pubmed:457611 pubmed:7462162 5-tricosylbenzene-1,3-diol chebi_ontology 1,3-dihydroxy-5-n-tricosylbenzene 1,3-dihydroxy-5-tricosylbenzene 5-n-tricosylresorcinol 5-tricosyl-1,3-benzenediol 5-tricosylbenzene-1,3-diol 5-tricosylresorcinol CHEBI:145969 5-tricosylresorcinol 0 C29H52O2 OHTBGMREZYLZQD-UHFFFAOYSA-N 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 432.733 432.39673 CCCCCCCCCCCCCCCCCCCCCCCc1cc(O)cc(O)c1 cas:70110-60-0 cas foodb.food:FDB017907 foodb.food hmdb:HMDB0038524 hmdb lipidmaps:LMPK15030006 lipidmaps pubmed:11140535 pubmed pubmed:15241924 pubmed pubmed:18998408 pubmed pubmed:21658963 pubmed pubmed:28208738 pubmed pubmed:30795501 pubmed pubmed:457611 pubmed pubmed:7462162 pubmed 5-tricosylbenzene-1,3-diol IUPAC 1,3-dihydroxy-5-n-tricosylbenzene chebi 1,3-dihydroxy-5-tricosylbenzene chebi 5-n-tricosylresorcinol lipidmaps 5-tricosyl-1,3-benzenediol chebi 5-tricosylbenzene-1,3-diol iupac 5-tricosylresorcinol hmdb 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. cas:60383-97-3 foodb.food:FDB021479 hmdb:HMDB0041507 lipidmaps:LMPK12020142 pubmed:10460201 pubmed:14611196 pubmed:17536823 pubmed:18251504 pubmed:25612442 pubmed:3604252 pubmed:6111433 pubmed:6861797 pubmed:7669281 (2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol chebi_ontology (+)-3'-O-methylcatechin (2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol (2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol (2R-trans)-3,4-dihydro-2-(4-hydroxy-3-methoxyphenyl)-2H-1-benzopyran-3,5,7-triol 3'-O-methyl-(+)-catechin 3'-O-methylcatechin 3'-O-methylcyanidanol CHEBI:149610 (+)-catechin-3'-methyl ether 0 C16H16O6 NJHJXXLBWQXMRO-XJKSGUPXSA-N 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 304.298 304.09469 COc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@@H]2O)ccc1O cas:60383-97-3 cas foodb.food:FDB021479 foodb.food hmdb:HMDB0041507 hmdb lipidmaps:LMPK12020142 lipidmaps pubmed:10460201 pubmed pubmed:14611196 pubmed pubmed:17536823 pubmed pubmed:18251504 pubmed pubmed:25612442 pubmed pubmed:3604252 pubmed pubmed:6111433 pubmed pubmed:6861797 pubmed pubmed:7669281 pubmed (2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol IUPAC (+)-3'-O-methylcatechin chebi (2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol iupac (2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol iupac (2R-trans)-3,4-dihydro-2-(4-hydroxy-3-methoxyphenyl)-2H-1-benzopyran-3,5,7-triol chebi 3'-O-methyl-(+)-catechin chebi 3'-O-methylcatechin hmdb 3'-O-methylcyanidanol chebi A diastereoisomeric mixture composed of 1-<em>O</em>-α-<small>D</small>-glucopyranosyl-<small>D</small>-mannitol dihydrate and 6-<em>O</em>-α-<small>D</small>-glucopyranosyl-<small>D</small>-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. CHEBI:140428 agr:IND605400803 agr:IND605716066 agr:IND607070168 agr:IND607703806 cas:64519-82-0 chemspider:2299218 pubmed:19327398 pubmed:21426952 pubmed:23225025 pubmed:23827942 pubmed:24300366 pubmed:24996006 pubmed:25671493 pubmed:27059921 pubmed:27321131 pubmed:28024614 pubmed:29341910 pubmed:30267819 pubmed:31678381 pubmed:32619664 pubmed:33011867 pubmed:33851132 pubmed:33895296 pubmed:34925781 pubmed:425707 wikipedia.en:Isomalt 6-O-alpha-D-glucopyranosyl-D-glucitol--1-O-alpha-D-glucopyranosyl-D-mannitol--water (1/1/2) chebi_ontology 6-O-alpha-D-glucopyranosyl-D-glucitol mixed with 1-O-alpha-D-glucopyranosyl-D-mannitol 6-O-alpha-D-glucopyranosyl-D-glucitol--1-O-alpha-D-glucopyranosyl-D-mannitol--water (1/1/2) C* PharmIsoMaltidex E 953 E953 GalenIQ IsoMaltidex hydrogenated isomaltulose palatinit palatinitol CHEBI:150326 isomalt 0 C12H24O11 344.313 344.13186 agr:IND605400803 agr agr:IND605716066 agr agr:IND607070168 agr agr:IND607703806 agr cas:64519-82-0 cas chemspider:2299218 chemspider pubmed:19327398 pubmed pubmed:21426952 pubmed pubmed:23225025 pubmed pubmed:23827942 pubmed pubmed:24300366 pubmed pubmed:24996006 pubmed pubmed:25671493 pubmed pubmed:27059921 pubmed pubmed:27321131 pubmed pubmed:28024614 pubmed pubmed:29341910 pubmed pubmed:30267819 pubmed pubmed:31678381 pubmed pubmed:32619664 pubmed pubmed:33011867 pubmed pubmed:33851132 pubmed pubmed:33895296 pubmed pubmed:34925781 pubmed pubmed:425707 pubmed wikipedia.en:Isomalt wikipedia.en 6-O-alpha-D-glucopyranosyl-D-glucitol--1-O-alpha-D-glucopyranosyl-D-mannitol--water (1/1/2) IUPAC 6-O-alpha-D-glucopyranosyl-D-glucitol mixed with 1-O-alpha-D-glucopyranosyl-D-mannitol chemidplus 6-O-alpha-D-glucopyranosyl-D-glucitol--1-O-alpha-D-glucopyranosyl-D-mannitol--water (1/1/2) iupac C* PharmIsoMaltidex chebi E 953 chebi E953 chebi GalenIQ chebi IsoMaltidex chemidplus hydrogenated isomaltulose chebi palatinit chemidplus palatinitol chemidplus 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. metacyc.compound:Retinals reaxys:2055098 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal chebi_ontology 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal retinal CHEBI:15035 retinal 0 C20H28O NCYCYZXNIZJOKI-UHFFFAOYSA-N 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 284.443 284.21402 [H]C(=O)C=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C metacyc.compound:Retinals metacyc.compound reaxys:2055098 reaxys 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal IUPAC 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal iupac retinal uniprot_ft A divalent inorganic anion obtained by removal of both protons from hydrogen sulfide. cas:18496-25-8 umbbd.compound:c0569 sulfanediide sulfide(2-) chebi_ontology S(2-) Sulfide sulfanediide sulfide(2-) sulphide CHEBI:15138 sulfide(2-) -2 S UCKMPCXJQFINFW-UHFFFAOYSA-N InChI=1S/S/q-2 32.067 31.97317 [S-2] cas:18496-25-8 cas umbbd.compound:c0569 umbbd.compound sulfanediide IUPAC sulfide(2-) IUPAC S(2-) iupac Sulfide chemidplus sulfanediide iupac sulfide(2-) iupac sulphide chebi A choline that is the parent compound of the cholines class, consisting of ethanolamine having three methyl substituents attached to the amino function. CHEBI:13985 CHEBI:23212 CHEBI:3665 CHEBI:41524 cas:62-49-7 drugbank:DB00122 drugcentral:3097 ecmdb:ECMDB00097 gmelin:324597 hmdb:HMDB0000097 kegg.compound:C00114 kegg.drug:D07690 knapsack:C00007298 metacyc.compound:CHOLINE pdb-ccd:CHT pubmed:10930630 pubmed:12826235 pubmed:12946691 pubmed:14972364 pubmed:16210714 pubmed:17087106 pubmed:17283071 pubmed:17344490 pubmed:18204095 pubmed:18230680 pubmed:18786517 pubmed:18786520 pubmed:19246089 pubmed:20038853 pubmed:20446114 pubmed:22770225 pubmed:22961562 pubmed:23095202 pubmed:23616508 pubmed:23637565 pubmed:23733158 pubmed:6420466 pubmed:7590654 pubmed:9517478 reaxys:1736748 wikipedia.en:Choline ymdb:YMDB00227 2-hydroxy-N,N,N-trimethylethanaminium chebi_ontology 2-hydroxy-N,N,N-trimethylethanaminium Bilineurine CHOLINE ION Choline N,N,N-trimethylethanol-ammonium N-trimethylethanolamine choline trimethylethanolamine CHEBI:15354 choline 1 C5H14NO OEYIOHPDSNJKLS-UHFFFAOYSA-N InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 104.173 104.10699 C[N+](C)(C)CCO cas:62-49-7 cas drugbank:DB00122 drugbank drugcentral:3097 drugcentral ecmdb:ECMDB00097 ecmdb gmelin:324597 gmelin hmdb:HMDB0000097 hmdb kegg.compound:C00114 kegg.compound kegg.drug:D07690 kegg.drug knapsack:C00007298 knapsack metacyc.compound:CHOLINE metacyc.compound pdb-ccd:CHT pdb-ccd pubmed:10930630 pubmed pubmed:12826235 pubmed pubmed:12946691 pubmed pubmed:14972364 pubmed pubmed:16210714 pubmed pubmed:17087106 pubmed pubmed:17283071 pubmed pubmed:17344490 pubmed pubmed:18204095 pubmed pubmed:18230680 pubmed pubmed:18786517 pubmed pubmed:18786520 pubmed pubmed:19246089 pubmed pubmed:20038853 pubmed pubmed:20446114 pubmed pubmed:22770225 pubmed pubmed:22961562 pubmed pubmed:23095202 pubmed pubmed:23616508 pubmed pubmed:23637565 pubmed pubmed:23733158 pubmed pubmed:6420466 pubmed pubmed:7590654 pubmed pubmed:9517478 pubmed reaxys:1736748 reaxys wikipedia.en:Choline wikipedia.en ymdb:YMDB00227 ymdb 2-hydroxy-N,N,N-trimethylethanaminium IUPAC 2-hydroxy-N,N,N-trimethylethanaminium iupac Bilineurine kegg.compound CHOLINE ION pdb-ccd Choline kegg.compound N,N,N-trimethylethanol-ammonium chebi N-trimethylethanolamine chebi choline uniprot_ft trimethylethanolamine chebi A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3. CHEBI:14061 CHEBI:23508 CHEBI:4050 cas:3374-22-9 gmelin:2933 kegg.compound:C00736 knapsack:C00001351 knapsack:C00007323 pubmed:17439666 pubmed:25181601 reaxys:1721406 wikipedia.en:Cysteine Cysteine cysteine chebi_ontology 2-Amino-3-mercaptopropionic acid 2-amino-3-mercaptopropanoic acid 2-amino-3-sulfanylpropanoic acid C Cys Cystein Cysteine Hcys Zystein cisteina cysteine CHEBI:15356 cysteine 0 C3H7NO2S XUJNEKJLAYXESH-UHFFFAOYSA-N InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6) 121.161 121.01975 NC(CS)C(=O)O cas:3374-22-9 cas gmelin:2933 gmelin kegg.compound:C00736 kegg.compound knapsack:C00001351 knapsack knapsack:C00007323 knapsack pubmed:17439666 pubmed pubmed:25181601 pubmed reaxys:1721406 reaxys wikipedia.en:Cysteine wikipedia.en Cysteine KEGG_COMPOUND cysteine IUPAC 2-Amino-3-mercaptopropionic acid kegg.compound 2-amino-3-mercaptopropanoic acid jcbn 2-amino-3-sulfanylpropanoic acid iupac C chebi Cys chebi Cystein chebi Cysteine kegg.compound Hcys iupac Zystein chebi cisteina chebi cysteine chebi cysteine iupac A simple monocarboxylic acid containing two carbons. CHEBI:22169 CHEBI:2387 CHEBI:40486 cas:64-19-7 drugcentral:4211 gmelin:1380 hmdb:HMDB0000042 kegg.compound:C00033 kegg.drug:D00010 knapsack:C00001176 lipidmaps:LMFA01010002 metacyc.compound:ACET pdb-ccd:ACT pdb-ccd:ACY ppdb:1333 pubmed:12005138 pubmed:15107950 pubmed:16630552 pubmed:16774200 pubmed:17190852 pubmed:19416101 pubmed:19469536 pubmed:22153255 pubmed:22173419 reaxys:506007 wikipedia.en:Acetic_acid ACETIC ACID Acetic acid acetic acid chebi_ontology ACETIC ACID AcOH Acetic acid CH3-COOH CH3CO2H E 260 E-260 E260 Essigsaeure Ethanoic acid Ethylic acid HOAc INS No. 260 MeCO2H MeCOOH Methanecarboxylic acid acetic acid acide acetique ethoic acid CHEBI:15366 acetic acid 0 C2H4O2 QTBSBXVTEAMEQO-UHFFFAOYSA-N InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4) 60.052 60.02113 CC(=O)O cas:64-19-7 cas drugcentral:4211 drugcentral gmelin:1380 gmelin hmdb:HMDB0000042 hmdb kegg.compound:C00033 kegg.compound kegg.drug:D00010 kegg.drug knapsack:C00001176 knapsack lipidmaps:LMFA01010002 lipidmaps metacyc.compound:ACET metacyc.compound pdb-ccd:ACT pdb-ccd pdb-ccd:ACY pdb-ccd ppdb:1333 ppdb pubmed:12005138 pubmed pubmed:15107950 pubmed pubmed:16630552 pubmed pubmed:16774200 pubmed pubmed:17190852 pubmed pubmed:19416101 pubmed pubmed:19469536 pubmed pubmed:22153255 pubmed pubmed:22173419 pubmed reaxys:506007 reaxys wikipedia.en:Acetic_acid wikipedia.en ACETIC ACID PDBeChem Acetic acid KEGG_COMPOUND acetic acid IUPAC ACETIC ACID pdb-ccd AcOH chebi Acetic acid kegg.compound CH3-COOH iupac CH3CO2H chebi E 260 chebi E-260 chebi E260 chebi Essigsaeure chebi Ethanoic acid kegg.compound Ethylic acid chemidplus HOAc chebi INS No. 260 chebi MeCO2H chebi MeCOOH chebi Methanecarboxylic acid chemidplus acetic acid iupac acide acetique chemidplus ethoic acid chebi An oxygen hydride consisting of an oxygen atom that is covalently bonded to two hydrogen atoms CHEBI:10743 CHEBI:13352 CHEBI:27313 CHEBI:42043 CHEBI:42857 CHEBI:43228 CHEBI:44292 CHEBI:44701 CHEBI:44819 CHEBI:5585 cas:7732-18-5 gmelin:117 hmdb:HMDB0002111 kegg.compound:C00001 kegg.drug:D00001 metacyc.compound:WATER molbase:1 pdb-ccd:HOH reaxys:3587155 wikipedia.en:Water WATER Water oxidane water chebi_ontology BOUND WATER H(2)O H2O HOH WATER Wasser Water [OH2] acqua agua aqua dihydridooxygen dihydrogen oxide eau hydrogen hydroxide oxidane water CHEBI:15377 water 0 H2O XLYOFNOQVPJJNP-UHFFFAOYSA-N InChI=1S/H2O/h1H2 18.015 18.01056 [H]O[H] cas:7732-18-5 cas gmelin:117 gmelin hmdb:HMDB0002111 hmdb kegg.compound:C00001 kegg.compound kegg.drug:D00001 kegg.drug metacyc.compound:WATER metacyc.compound molbase:1 molbase pdb-ccd:HOH pdb-ccd reaxys:3587155 reaxys wikipedia.en:Water wikipedia.en WATER PDBeChem Water KEGG_COMPOUND oxidane IUPAC water IUPAC BOUND WATER pdb-ccd H(2)O uniprot_ft H2O kegg.compound HOH chebi WATER pdb-ccd Wasser chebi Water kegg.compound [OH2] iupac acqua chebi agua chebi aqua chebi dihydridooxygen iupac dihydrogen oxide iupac eau chebi hydrogen hydroxide chebi oxidane iupac water iupac The (<i>R</i>)- enantiomer of camphor. CHEBI:10758 CHEBI:16 CHEBI:18442 CHEBI:41334 cas:464-49-3 cas:76-22-2 gmelin:83276 hmdb:HMDB0059838 kegg.compound:C00808 kegg.drug:D06392 knapsack:C00000819 metacyc.compound:CPD-862 pdb-ccd:CAM pubmed:12231778 pubmed:24288289 reaxys:2042745 umbbd.compound:c0407 (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one chebi_ontology (+)-Camphor (+)-bornan-2-one (1R)-(+)-camphor (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one (1R,4R)-camphor (R)-(+)-camphor (R)-camphor CAMPHOR Camphor(D) D-Camphor CHEBI:15396 (R)-camphor 0 C10H16O DSSYKIVIOFKYAU-XCBNKYQSSA-N 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 152.237 152.12012 CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2 cas:464-49-3 cas cas:76-22-2 cas gmelin:83276 gmelin hmdb:HMDB0059838 hmdb kegg.compound:C00808 kegg.compound kegg.drug:D06392 kegg.drug knapsack:C00000819 knapsack metacyc.compound:CPD-862 metacyc.compound pdb-ccd:CAM pdb-ccd pubmed:12231778 pubmed pubmed:24288289 pubmed reaxys:2042745 reaxys umbbd.compound:c0407 umbbd.compound (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one IUPAC (+)-Camphor kegg.compound (+)-bornan-2-one chemidplus (1R)-(+)-camphor nist (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one iupac (1R,4R)-camphor uniprot_ft (R)-(+)-camphor chemidplus (R)-camphor chemidplus CAMPHOR pdb-ccd Camphor(D) nist D-Camphor kegg.compound CHEBI:10762 CHEBI:18448 CHEBI:41399 CHEBI:57 beilstein:2044882 drugbank:DB02817 kegg.compound:C03448 lipidmaps:LMPR0102120010 pdb-ccd:CAH umbbd.compound:c0408 (1R,4R,5R)-5-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one chebi_ontology (+)-exo-5-Hydroxycamphor (1R,4R,5R)-5-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one (1R,4R,5R)-5-hydroxycamphor 5-EXO-HYDROXYCAMPHOR CHEBI:15398 (+)-exo-5-hydroxycamphor 0 C10H16O2 DJQYBVLXBVJHMU-PJKMHFRUSA-N 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 168.236 168.11503 [H][C@]12CC(=O)[C@](C)(C[C@H]1O)C2(C)C beilstein:2044882 beilstein drugbank:DB02817 drugbank kegg.compound:C03448 kegg.compound lipidmaps:LMPR0102120010 lipidmaps pdb-ccd:CAH pdb-ccd umbbd.compound:c0408 umbbd.compound (1R,4R,5R)-5-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one IUPAC (+)-exo-5-Hydroxycamphor kegg.compound (1R,4R,5R)-5-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one iupac (1R,4R,5R)-5-hydroxycamphor uniprot_ft 5-EXO-HYDROXYCAMPHOR pdb-ccd A carvone having (<i>S</i>) configuration. CHEBI:10759 CHEBI:5 beilstein:3588498 beilstein:6767373 cas:2244-16-8 gmelin:637294 kegg.compound:C11383 knapsack:C00010891 pubmed:11380545 reaxys:2042970 (4S)-p-mentha-1(6),8-dien-2-one (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one chebi_ontology (+)-(4S)-carvone (+)-(S)-Carvone (+)-Carvone (4S)-p-mentha-1(6),8-dien-2-one (5S)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one (S)-(+)-carvone (S)-(+)-p-mentha-6,8-dien-2-one (S)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one (S)-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-one (S)-5-isopropenyl-2-methylcyclohex-2-en-1-one (S)-carvone Carvol Carvone d-(+)-carvone d-carvone CHEBI:15399 (+)-carvone 0 C10H14O ULDHMXUKGWMISQ-VIFPVBQESA-N 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 150.221 150.10447 C=C(C)[C@H]1CC=C(C)C(=O)C1 beilstein:3588498 beilstein beilstein:6767373 beilstein cas:2244-16-8 cas gmelin:637294 gmelin kegg.compound:C11383 kegg.compound knapsack:C00010891 knapsack pubmed:11380545 pubmed reaxys:2042970 reaxys (4S)-p-mentha-1(6),8-dien-2-one IUPAC (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one IUPAC (+)-(4S)-carvone chebi (+)-(S)-Carvone kegg.compound (+)-Carvone kegg.compound (4S)-p-mentha-1(6),8-dien-2-one iupac (5S)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one chemidplus (5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one iupac (S)-(+)-carvone nist (S)-(+)-p-mentha-6,8-dien-2-one chemidplus (S)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one chemidplus (S)-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-one chemidplus (S)-5-isopropenyl-2-methylcyclohex-2-en-1-one chebi (S)-carvone uniprot_ft Carvol kegg.compound Carvone kegg.compound d-(+)-carvone nist d-carvone chemidplus 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. CHEBI:14772 CHEBI:18496 CHEBI:8022 cas:536-59-4 hmdb:HMDB0003634 metacyc.compound:Perillyl-Alcohols pubmed:10379660 pubmed:11840288 pubmed:15210838 pubmed:23727191 reaxys:2044612 [4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol chebi_ontology 1-Hydroxymethyl-4-isopropenyl-1-cyclohexene 1-perillalcohol 4-(1-Methylethenyl)-1-cyclohexene-1-methanol 4-Isopropenyl-1-cyclohexene carbinol 4-Isopropenylcyclohex-1-en-1-ylmethanol Isocarveol Perilla alcohol Perillol [4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol dihydrocuminyl alcoholn p-Mentha-1,8-dien-7-ol perillyl alcohol CHEBI:15420 perillyl alcohol 0 C10H16O NDTYTMIUWGWIMO-UHFFFAOYSA-N InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3 152.237 152.12012 C=C(C)C1CC=C(CO)CC1 cas:536-59-4 cas hmdb:HMDB0003634 hmdb metacyc.compound:Perillyl-Alcohols metacyc.compound pubmed:10379660 pubmed pubmed:11840288 pubmed pubmed:15210838 pubmed pubmed:23727191 pubmed reaxys:2044612 reaxys [4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol IUPAC 1-Hydroxymethyl-4-isopropenyl-1-cyclohexene chemidplus 1-perillalcohol nist 4-(1-Methylethenyl)-1-cyclohexene-1-methanol chemidplus 4-Isopropenyl-1-cyclohexene carbinol chemidplus 4-Isopropenylcyclohex-1-en-1-ylmethanol chemidplus Isocarveol chemidplus Perilla alcohol chemidplus Perillol chemidplus [4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol iupac dihydrocuminyl alcoholn nist p-Mentha-1,8-dien-7-ol chemidplus perillyl alcohol uniprot_ft The simplest (and the only achiral) proteinogenic amino acid, with a hydrogen atom as its side chain. CHEBI:10792 CHEBI:14344 CHEBI:24368 CHEBI:42964 CHEBI:5460 cas:56-40-6 drugbank:DB00145 drugcentral:1319 ecmdb:ECMDB00123 gmelin:1808 hmdb:HMDB0000123 kegg.compound:C00037 kegg.drug:D00011 knapsack:C00001361 metacyc.compound:GLY pdb-ccd:GLY pubmed:10930630 pubmed:11019925 pubmed:11174716 pubmed:11542461 pubmed:11806864 pubmed:12631515 pubmed:12754315 pubmed:12770151 pubmed:12921899 pubmed:15331688 pubmed:15388434 pubmed:15710237 pubmed:16105183 pubmed:16151895 pubmed:16214212 pubmed:16417482 pubmed:16444815 pubmed:16664855 pubmed:16901953 pubmed:16918424 pubmed:16986325 pubmed:16998855 pubmed:17154252 pubmed:17383967 pubmed:17582620 pubmed:17970719 pubmed:18079355 pubmed:18396796 pubmed:18440992 pubmed:18593588 pubmed:18816054 pubmed:18840508 pubmed:19028609 pubmed:19120667 pubmed:19449910 pubmed:19526731 pubmed:19544666 pubmed:19738917 pubmed:19916621 pubmed:19924257 pubmed:21751272 pubmed:22044190 pubmed:22079563 pubmed:22234938 pubmed:22264337 pubmed:22293292 pubmed:22401276 pubmed:22434786 reaxys:635782 wikipedia.en:Glycine ymdb:YMDB00016 Aminoacetic acid GLYCINE Glycine aminoacetic acid glycine chebi_ontology Aminoacetic acid Aminoessigsaeure G GLYCINE Gly Glycin Glycine Glycocoll Glykokoll Glyzin H2N-CH2-COOH Hgly Leimzucker aminoacetic acid aminoethanoic acid glycine CHEBI:15428 glycine 0 C2H5NO2 DHMQDGOQFOQNFH-UHFFFAOYSA-N InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5) 75.067 75.03203 NCC(=O)O cas:56-40-6 cas drugbank:DB00145 drugbank drugcentral:1319 drugcentral ecmdb:ECMDB00123 ecmdb gmelin:1808 gmelin hmdb:HMDB0000123 hmdb kegg.compound:C00037 kegg.compound kegg.drug:D00011 kegg.drug knapsack:C00001361 knapsack metacyc.compound:GLY metacyc.compound pdb-ccd:GLY pdb-ccd pubmed:10930630 pubmed pubmed:11019925 pubmed pubmed:11174716 pubmed pubmed:11542461 pubmed pubmed:11806864 pubmed pubmed:12631515 pubmed pubmed:12754315 pubmed pubmed:12770151 pubmed pubmed:12921899 pubmed pubmed:15331688 pubmed pubmed:15388434 pubmed pubmed:15710237 pubmed pubmed:16105183 pubmed pubmed:16151895 pubmed pubmed:16214212 pubmed pubmed:16417482 pubmed pubmed:16444815 pubmed pubmed:16664855 pubmed pubmed:16901953 pubmed pubmed:16918424 pubmed pubmed:16986325 pubmed pubmed:16998855 pubmed pubmed:17154252 pubmed pubmed:17383967 pubmed pubmed:17582620 pubmed pubmed:17970719 pubmed pubmed:18079355 pubmed pubmed:18396796 pubmed pubmed:18440992 pubmed pubmed:18593588 pubmed pubmed:18816054 pubmed pubmed:18840508 pubmed pubmed:19028609 pubmed pubmed:19120667 pubmed pubmed:19449910 pubmed pubmed:19526731 pubmed pubmed:19544666 pubmed pubmed:19738917 pubmed pubmed:19916621 pubmed pubmed:19924257 pubmed pubmed:21751272 pubmed pubmed:22044190 pubmed pubmed:22079563 pubmed pubmed:22234938 pubmed pubmed:22264337 pubmed pubmed:22293292 pubmed pubmed:22401276 pubmed pubmed:22434786 pubmed reaxys:635782 reaxys wikipedia.en:Glycine wikipedia.en ymdb:YMDB00016 ymdb Aminoacetic acid KEGG_COMPOUND GLYCINE PDBeChem Glycine KEGG_COMPOUND aminoacetic acid IUPAC glycine IUPAC Aminoacetic acid kegg.compound Aminoessigsaeure chebi G chebi GLYCINE pdb-ccd Gly kegg.compound Glycin chemidplus Glycine kegg.compound Glycocoll chemidplus Glykokoll chebi Glyzin chebi H2N-CH2-COOH iupac Hgly iupac Leimzucker chemidplus aminoacetic acid iupac aminoethanoic acid chebi aminoethanoic acid jcbn glycine iupac CHEBI:10799 CHEBI:10845 CHEBI:169 CHEBI:18519 CHEBI:24854 cas:9005-80-5 drugbank:DB00638 kegg.compound:C03323 kegg.drug:D00171 kegg.glycan:G10497 (2->1)-beta-D-fructofuranan chebi_ontology (1,2-beta-D-Fructosyl)n (1,2-beta-D-fructosyl)n (2,1-beta-D-Fructosyl)n (2,1-beta-D-fructosyl)n (2->1)-beta-D-fructofuranan Inulin CHEBI:15443 inulin (C12H20O11)n cas:9005-80-5 cas drugbank:DB00638 drugbank kegg.compound:C03323 kegg.compound kegg.drug:D00171 kegg.drug kegg.glycan:G10497 kegg.glycan (2->1)-beta-D-fructofuranan IUPAC (1,2-beta-D-Fructosyl)n kegg.compound (1,2-beta-D-fructosyl)n iubmb (2,1-beta-D-Fructosyl)n kegg.compound (2,1-beta-D-fructosyl)n iubmb (2->1)-beta-D-fructofuranan iupac Inulin kegg.compound The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite. CHEBI:10862 CHEBI:18 CHEBI:18443 cas:154-23-4 drugcentral:629 hmdb:HMDB0002780 kegg.compound:C06562 knapsack:C00000947 lipidmaps:LMPK12020001 metacyc.compound:CPD-1961 pdb-ccd:KXN pubmed:10617953 pubmed:11196148 pubmed:1502708 pubmed:8224433 pubmed:9438556 reaxys:92761 wikipedia.en:Catechin (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-1H-chromene-3,5,7-triol chebi_ontology (+)-(2R,3S)-5,7,3',4'-Tetrahydroxyflavan-3-ol (+)-3',4',5,7-Tetrahydroxy-2,3-trans-flavan-3-ol (+)-Catechin (+)-Catechol (+)-Cyanidan-3-ol (2R,3S)-(+)-Catechin (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-1H-chromene-3,5,7-triol (2R,3S)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol (2R,3S)-Catechin (2R,3S)-catechin (2R-trans)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-Benzopyran-3,5,7-triol Cianidanol Cyanidanol D-Catechin catechuic acid CHEBI:15600 (+)-catechin 0 C15H14O6 PFTAWBLQPZVEMU-DZGCQCFKSA-N 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 290.271 290.07904 Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2 cas:154-23-4 cas drugcentral:629 drugcentral hmdb:HMDB0002780 hmdb kegg.compound:C06562 kegg.compound knapsack:C00000947 knapsack lipidmaps:LMPK12020001 lipidmaps metacyc.compound:CPD-1961 metacyc.compound pdb-ccd:KXN pdb-ccd pubmed:10617953 pubmed pubmed:11196148 pubmed pubmed:1502708 pubmed pubmed:8224433 pubmed pubmed:9438556 pubmed reaxys:92761 reaxys wikipedia.en:Catechin wikipedia.en (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-1H-chromene-3,5,7-triol IUPAC (+)-(2R,3S)-5,7,3',4'-Tetrahydroxyflavan-3-ol chemidplus (+)-3',4',5,7-Tetrahydroxy-2,3-trans-flavan-3-ol chemidplus (+)-Catechin kegg.compound (+)-Catechol chemidplus (+)-Cyanidan-3-ol chemidplus (2R,3S)-(+)-Catechin kegg.compound (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-1H-chromene-3,5,7-triol iupac (2R,3S)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol chebi (2R,3S)-Catechin kegg.compound (2R,3S)-catechin uniprot_ft (2R-trans)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-Benzopyran-3,5,7-triol kegg.compound Cianidanol kegg.compound Cyanidanol kegg.compound D-Catechin kegg.compound catechuic acid chebi A formyltetrahydrofolic acid in which the formyl group is located at position 5. CHEBI:12127 CHEBI:18607 CHEBI:2057 cas:58-05-9 drugbank:DB03256 drugcentral:1232 kegg.compound:C03479 kegg.drug:D07986 lincs.smallmolecule:LSM-5146 reaxys:101688 wikipedia.en:Folinic_acid N-[4-({[2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid chebi_ontology (5-formyl-5,6,7,8-tetrahydropteroyl)glutamate 10-Formyl-7,8-dihydrofolic acid 5-Formyl-5,6,7,8-tetrahydrofolic acid 5-Formyl-5,6,7,8-tetrahydropteroyl-L-glutamic acid 5-Formyltetrahydrofolate Acide folinique Folinic acid L(-)-5-Formyl-5,6,7,8-tetrahydrofolic acid Leucovorin Leucovorinum N-(5-formyl-5,6,7,8-tetrahydropteroyl)-L-glutamic acid N-[4-({[2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid N5-Formyl-5,6,7,8-tetrahydrofolic acid N5-Formyltetrahydrofolic acid folinate CHEBI:15640 5-formyltetrahydrofolic acid 0 C20H23N7O7 VVIAGPKUTFNRDU-ABLWVSNPSA-N 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 473.446 473.1659 [H]C(=O)N1c2c(nc(N)nc2=O)NCC1CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 cas:58-05-9 cas drugbank:DB03256 drugbank drugcentral:1232 drugcentral kegg.compound:C03479 kegg.compound kegg.drug:D07986 kegg.drug lincs.smallmolecule:LSM-5146 lincs.smallmolecule reaxys:101688 reaxys wikipedia.en:Folinic_acid wikipedia.en N-[4-({[2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid IUPAC (5-formyl-5,6,7,8-tetrahydropteroyl)glutamate chebi 10-Formyl-7,8-dihydrofolic acid chemidplus 5-Formyl-5,6,7,8-tetrahydrofolic acid chemidplus 5-Formyl-5,6,7,8-tetrahydropteroyl-L-glutamic acid chemidplus 5-Formyltetrahydrofolate kegg.compound Acide folinique chemidplus Folinic acid kegg.compound L(-)-5-Formyl-5,6,7,8-tetrahydrofolic acid kegg.compound Leucovorin kegg.compound Leucovorinum chemidplus N-(5-formyl-5,6,7,8-tetrahydropteroyl)-L-glutamic acid chebi N-[4-({[2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid iupac N5-Formyl-5,6,7,8-tetrahydrofolic acid chemidplus N5-Formyltetrahydrofolic acid chemidplus folinate chebi 3,6,9-trihydroxypterocarpan 2,3-dihydrobiochanin A An α,ω-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. CHEBI:22943 CHEBI:26807 CHEBI:45639 CHEBI:9304 cas:110-15-6 drugbank:DB00139 drugcentral:2487 ecmdb:ECMDB00254 gmelin:2785 hmdb:HMDB0000254 kegg.compound:C00042 knapsack:C00001205 lipidmaps:LMFA01170043 metacyc.compound:SUC pdb-ccd:SIN pubmed:17439666 reaxys:1754069 wikipedia.en:Succinic_acid ymdb:YMDB00338 SUCCINIC ACID Succinic acid butanedioic acid succinic acid chebi_ontology 1,2-ethanedicarboxylic acid Bernsteinsaeure Butandisaeure Butanedionic acid Dihydrofumaric acid E363 Ethylenesuccinic acid HOOC-CH2-CH2-COOH SUCCINIC ACID Succinic acid acide butanedioique acide succinique acidum succinicum amber acid asuccin butanedioic acid spirit of amber succinic acid CHEBI:15741 succinic acid 0 C4H6O4 KDYFGRWQOYBRFD-UHFFFAOYSA-N InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) 118.088 118.02661 O=C(O)CCC(=O)O cas:110-15-6 cas drugbank:DB00139 drugbank drugcentral:2487 drugcentral ecmdb:ECMDB00254 ecmdb gmelin:2785 gmelin hmdb:HMDB0000254 hmdb kegg.compound:C00042 kegg.compound knapsack:C00001205 knapsack lipidmaps:LMFA01170043 lipidmaps metacyc.compound:SUC metacyc.compound pdb-ccd:SIN pdb-ccd pubmed:17439666 pubmed reaxys:1754069 reaxys wikipedia.en:Succinic_acid wikipedia.en ymdb:YMDB00338 ymdb SUCCINIC ACID PDBeChem Succinic acid KEGG_COMPOUND butanedioic acid IUPAC succinic acid IUPAC 1,2-ethanedicarboxylic acid chemidplus Bernsteinsaeure chebi Butandisaeure chemidplus Butanedionic acid kegg.compound Dihydrofumaric acid hmdb E363 chebi Ethylenesuccinic acid kegg.compound HOOC-CH2-CH2-COOH iupac SUCCINIC ACID pdb-ccd Succinic acid kegg.compound acide butanedioique chebi acide succinique chebi acidum succinicum chemidplus amber acid nist asuccin nist butanedioic acid iupac spirit of amber chebi succinic acid iupac A straight-chain, sixteen-carbon, saturated long-chain fatty acid. CHEBI:14730 CHEBI:233028 CHEBI:24540 CHEBI:24541 CHEBI:24542 CHEBI:24550 CHEBI:29889 CHEBI:35978 CHEBI:44952 cas:57-10-3 drugbank:DB03796 gmelin:190200 hmdb:HMDB0000220 kegg.compound:C00249 kegg.drug:D05341 knapsack:C00001233 knapsack:C00030479 lipidmaps:LMFA01010001 metacyc.compound:PALMITATE pdb-ccd:PLM ppdb:1336 pubmed:12492626 pubmed:15357969 pubmed:1589452 pubmed:16509590 pubmed:16884313 pubmed:17439666 pubmed:17502136 pubmed:20001317 pubmed:22735334 pubmed:25584012 pubmed:28600633 reaxys:607489 wikipedia.en:Palmitic_acid hexadecanoic acid chebi_ontology 1-Pentadecanecarboxylic acid 1-hexyldecanoic acid 16:00 C16 C16 fatty acid C16:0 CH3-[CH2]14-COOH FA 16:0 Hexadecanoate Hexadecylic acid Hexaectylic acid PALMITIC ACID Palmitate Palmitic acid Palmitinic acid Palmitinsaeure Pentadecanecarboxylic acid cetylic acid hexadecanoic acid hexadecoic acid n-hexadecanoic acid n-hexadecoic acid palmitic acid CHEBI:15756 hexadecanoic acid 0 C16H32O2 IPCSVZSSVZVIGE-UHFFFAOYSA-N 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) 256.43 256.24023 CCCCCCCCCCCCCCCC(=O)O cas:57-10-3 cas drugbank:DB03796 drugbank gmelin:190200 gmelin hmdb:HMDB0000220 hmdb kegg.compound:C00249 kegg.compound kegg.drug:D05341 kegg.drug knapsack:C00001233 knapsack knapsack:C00030479 knapsack lipidmaps:LMFA01010001 lipidmaps metacyc.compound:PALMITATE metacyc.compound pdb-ccd:PLM pdb-ccd ppdb:1336 ppdb pubmed:12492626 pubmed pubmed:15357969 pubmed pubmed:1589452 pubmed pubmed:16509590 pubmed pubmed:16884313 pubmed pubmed:17439666 pubmed pubmed:17502136 pubmed pubmed:20001317 pubmed pubmed:22735334 pubmed pubmed:25584012 pubmed pubmed:28600633 pubmed reaxys:607489 reaxys wikipedia.en:Palmitic_acid wikipedia.en hexadecanoic acid IUPAC 1-Pentadecanecarboxylic acid chemidplus 1-hexyldecanoic acid hmdb 16:00 chebi C16 chebi C16 fatty acid hmdb C16:0 lipidmaps CH3-[CH2]14-COOH iupac FA 16:0 chebi Hexadecanoate kegg.compound Hexadecylic acid hmdb Hexadecylic acid kegg.compound Hexaectylic acid hmdb PALMITIC ACID pdb-ccd Palmitate kegg.compound Palmitic acid kegg.compound Palmitinic acid hmdb Palmitinsaeure chebi Pentadecanecarboxylic acid chemidplus cetylic acid kegg.compound hexadecanoic acid iupac hexadecoic acid chebi n-hexadecanoic acid nist n-hexadecoic acid nist palmitic acid chebi A primary amino compound obtained by formal decarboxylation of the amino acid tyrosine. CHEBI:15276 CHEBI:27174 CHEBI:9799 cas:51-67-2 drugcentral:2784 gmelin:82946 hmdb:HMDB0000306 kegg.compound:C00483 knapsack:C00001435 lincs.smallmolecule:LSM-19016 metacyc.compound:TYRAMINE pdb-ccd:AEF pubmed:11361052 pubmed:11919655 pubmed:12183041 pubmed:12707242 pubmed:12811595 pubmed:15000446 pubmed:15848803 pubmed:15932098 pubmed:18422653 pubmed:18970430 pubmed:19137318 pubmed:19189084 pubmed:21570963 pubmed:21628600 pubmed:21651557 pubmed:21679153 pubmed:21850574 pubmed:21909937 pubmed:22735334 pubmed:3137238 pubmed:319927 pubmed:6501508 pubmed:9282832 pubmed:9731223 reaxys:1099914 wikipedia.en:Tyramine 4-(2-aminoethyl)phenol chebi_ontology 2-(p-Hydroxyphenyl)ethylamine 4-(2-aminoethyl)phenol 4-Hydroxy-beta-phenylethylamine 4-Hydroxyphenylethylamine 4-hydroxyphenethylamine Tyramin Tyramine beta-(4-Hydroxyphenyl)ethylamine p-(2-Aminoethyl)phenol p-(2-aminoethyl)phenol p-hydroxyphenethylamine p-hydroxyphenylethylamine p-tyramine CHEBI:15760 tyramine 0 C8H11NO DZGWFCGJZKJUFP-UHFFFAOYSA-N InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2 137.182 137.08406 NCCc1ccc(O)cc1 cas:51-67-2 cas drugcentral:2784 drugcentral gmelin:82946 gmelin hmdb:HMDB0000306 hmdb kegg.compound:C00483 kegg.compound knapsack:C00001435 knapsack lincs.smallmolecule:LSM-19016 lincs.smallmolecule metacyc.compound:TYRAMINE metacyc.compound pdb-ccd:AEF pdb-ccd pubmed:11361052 pubmed pubmed:11919655 pubmed pubmed:12183041 pubmed pubmed:12707242 pubmed pubmed:12811595 pubmed pubmed:15000446 pubmed pubmed:15848803 pubmed pubmed:15932098 pubmed pubmed:18422653 pubmed pubmed:18970430 pubmed pubmed:19137318 pubmed pubmed:19189084 pubmed pubmed:21570963 pubmed pubmed:21628600 pubmed pubmed:21651557 pubmed pubmed:21679153 pubmed pubmed:21850574 pubmed pubmed:21909937 pubmed pubmed:22735334 pubmed pubmed:3137238 pubmed pubmed:319927 pubmed pubmed:6501508 pubmed pubmed:9282832 pubmed pubmed:9731223 pubmed reaxys:1099914 reaxys wikipedia.en:Tyramine wikipedia.en 4-(2-aminoethyl)phenol IUPAC 2-(p-Hydroxyphenyl)ethylamine kegg.compound 4-(2-aminoethyl)phenol iupac 4-Hydroxy-beta-phenylethylamine hmdb 4-Hydroxyphenylethylamine hmdb 4-hydroxyphenethylamine chebi Tyramin chemidplus Tyramine kegg.compound beta-(4-Hydroxyphenyl)ethylamine hmdb p-(2-Aminoethyl)phenol hmdb p-(2-aminoethyl)phenol chebi p-hydroxyphenethylamine hmdb p-hydroxyphenylethylamine hmdb p-tyramine hmdb 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. CHEBI:12130 CHEBI:20574 CHEBI:2062 cas:481-39-0 gmelin:219094 kegg.compound:C03840 knapsack:C00000144 pdb-ccd:JUG pubmed:19597959 pubmed:23163769 pubmed:27322260 pubmed:27600097 pubmed:27816681 pubmed:28069455 pubmed:28166217 reaxys:1909764 5-Hydroxy-1,4-naphthoquinone 5-hydroxy-1,4-naphthoquinone chebi_ontology 5-Hydroxy-1,4-naphthoquinone 5-hydroxy-1,4-naphthalenedione 5-hydroxy-1,4-naphthoquinone 8-hydroxy-1,4-naphthoquinone Juglone juglone CHEBI:15794 juglone 0 C10H6O3 KQPYUDDGWXQXHS-UHFFFAOYSA-N InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H 174.155 174.03169 O=C1C=CC(=O)c2c(O)cccc21 cas:481-39-0 cas gmelin:219094 gmelin kegg.compound:C03840 kegg.compound knapsack:C00000144 knapsack pdb-ccd:JUG pdb-ccd pubmed:19597959 pubmed pubmed:23163769 pubmed pubmed:27322260 pubmed pubmed:27600097 pubmed pubmed:27816681 pubmed pubmed:28069455 pubmed pubmed:28166217 pubmed reaxys:1909764 reaxys 5-Hydroxy-1,4-naphthoquinone KEGG_COMPOUND 5-hydroxy-1,4-naphthoquinone IUPAC 5-Hydroxy-1,4-naphthoquinone kegg.compound 5-hydroxy-1,4-naphthalenedione chemidplus 5-hydroxy-1,4-naphthoquinone iupac 8-hydroxy-1,4-naphthoquinone chemidplus Juglone kegg.compound juglone uniprot_ft A long-chain fatty acid that is a C<small>₂₀</small>, polyunsaturated fatty acid having four (<i>Z</i>)-double bonds at positions 5, 8, 11 and 14. CHEBI:22608 CHEBI:2799 CHEBI:40501 cas:506-32-1 drugbank:DB04557 gmelin:58972 hmdb:HMDB0001043 kegg.compound:C00219 knapsack:C00000388 lipidmaps:LMFA01030001 metacyc.compound:ARACHIDONIC_ACID pdb-ccd:ACD pubmed:15129302 pubmed:18931599 pubmed:18973997 pubmed:25584012 pubmed:2820055 reaxys:1913991 wikipedia.en:Arachidonic_acid (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid chebi_ontology (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoic acid (5Z,8Z,11Z,14Z)-Icosatetraenoic acid (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid AA ARA ARACHIDONIC ACID Arachidonate Arachidonic acid Arachidonsaeure all-cis-5,8,11,14-eicosatetraenoic acid cis-5,8,11,14-Eicosatetraenoic acid cis-Delta(5,8,11,14)-eicosatetraenoic acid CHEBI:15843 arachidonic acid 0 C20H32O2 YZXBAPSDXZZRGB-DOFZRALJSA-N 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- 304.474 304.24023 CCCCC/C=CC/C=CC/C=CC/C=CCCCC(=O)O cas:506-32-1 cas drugbank:DB04557 drugbank gmelin:58972 gmelin hmdb:HMDB0001043 hmdb kegg.compound:C00219 kegg.compound knapsack:C00000388 knapsack lipidmaps:LMFA01030001 lipidmaps metacyc.compound:ARACHIDONIC_ACID metacyc.compound pdb-ccd:ACD pdb-ccd pubmed:15129302 pubmed pubmed:18931599 pubmed pubmed:18973997 pubmed pubmed:25584012 pubmed pubmed:2820055 pubmed reaxys:1913991 reaxys wikipedia.en:Arachidonic_acid wikipedia.en (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid IUPAC (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoic acid nist (5Z,8Z,11Z,14Z)-Icosatetraenoic acid kegg.compound (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid iupac AA chebi ARA chebi ARACHIDONIC ACID pdb-ccd Arachidonate kegg.compound Arachidonic acid kegg.compound Arachidonsaeure chebi all-cis-5,8,11,14-eicosatetraenoic acid chebi cis-5,8,11,14-Eicosatetraenoic acid kegg.compound cis-Delta(5,8,11,14)-eicosatetraenoic acid chebi CHEBI:13918 CHEBI:3178 CHEBI:49515 beilstein:3587179 cas:24959-67-9 gmelin:14908 kegg.compound:C00720 kegg.compound:C01324 pdb-ccd:BR Bromide bromide bromide(1-) chebi_ontology BROMIDE ION Br(-) Br- Bromide bromide bromide(1-) bromine anion CHEBI:15858 bromide -1 Br CPELXLSAUQHCOX-UHFFFAOYSA-M InChI=1S/BrH/h1H/p-1 79.904 78.91889 [Br-] beilstein:3587179 beilstein cas:24959-67-9 cas gmelin:14908 gmelin kegg.compound:C00720 kegg.compound kegg.compound:C01324 kegg.compound pdb-ccd:BR pdb-ccd Bromide KEGG_COMPOUND bromide IUPAC bromide(1-) IUPAC BROMIDE ION pdb-ccd Br(-) iupac Br- kegg.compound Bromide kegg.compound bromide iupac bromide uniprot_ft bromide(1-) iupac bromine anion nist 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. CHEBI:12082 CHEBI:14536 CHEBI:25086 CHEBI:6578 cas:491-70-3 chemspider:4444102 drugbank:DB15584 foodb.food:FDB013255 hmdb:HMDB0005800 kegg.compound:C01514 knapsack:C00000674 lincs.smallmolecule:LSM-5229 lipidmaps:LMPK12110006 metacyc.compound:5734-TETRAHYDROXYFLAVONE pdb-ccd:LU2 pubmed:11478688 pubmed:11897650 pubmed:14574115 pubmed:18720166 pubmed:18946424 pubmed:18991571 pubmed:19263826 pubmed:19509250 pubmed:19854181 pubmed:21899269 pubmed:22391103 pubmed:22749133 pubmed:22794353 pubmed:22842046 pubmed:23035972 pubmed:23229294 pubmed:23574272 pubmed:26020516 pubmed:26322379 pubmed:27595800 pubmed:27764981 pubmed:27853236 pubmed:27878246 pubmed:27879665 pubmed:27886116 pubmed:27919958 pubmed:27927066 pubmed:27959422 pubmed:28004344 pubmed:28029146 pubmed:28031430 pubmed:28035396 pubmed:28067377 pubmed:28069121 pubmed:28071803 pubmed:28090531 pubmed:28096694 pubmed:28101184 pubmed:28101223 pubmed:28110189 pubmed:28111945 pubmed:28112209 pubmed:28113103 pubmed:28166217 pubmed:29423013 pubmed:30624931 pubmed:32883638 reaxys:292084 wikipedia.en:Luteolin 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one chebi_ontology 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-benzopyrone 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one 3',4',5,7-Tetrahydroxyflavone 5,7,3',4'-Tetrahydroxyflavone Luteolin Luteolol Salifazide digitoflavone flacitran CHEBI:15864 luteolin 0 C15H10O6 IQPNAANSBPBGFQ-UHFFFAOYSA-N 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 286.239 286.04774 O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 cas:491-70-3 cas chemspider:4444102 chemspider drugbank:DB15584 drugbank foodb.food:FDB013255 foodb.food hmdb:HMDB0005800 hmdb kegg.compound:C01514 kegg.compound knapsack:C00000674 knapsack lincs.smallmolecule:LSM-5229 lincs.smallmolecule lipidmaps:LMPK12110006 lipidmaps metacyc.compound:5734-TETRAHYDROXYFLAVONE metacyc.compound pdb-ccd:LU2 pdb-ccd pubmed:11478688 pubmed pubmed:11897650 pubmed pubmed:14574115 pubmed pubmed:18720166 pubmed pubmed:18946424 pubmed pubmed:18991571 pubmed pubmed:19263826 pubmed pubmed:19509250 pubmed pubmed:19854181 pubmed pubmed:21899269 pubmed pubmed:22391103 pubmed pubmed:22749133 pubmed pubmed:22794353 pubmed pubmed:22842046 pubmed pubmed:23035972 pubmed pubmed:23229294 pubmed pubmed:23574272 pubmed pubmed:26020516 pubmed pubmed:26322379 pubmed pubmed:27595800 pubmed pubmed:27764981 pubmed pubmed:27853236 pubmed pubmed:27878246 pubmed pubmed:27879665 pubmed pubmed:27886116 pubmed pubmed:27919958 pubmed pubmed:27927066 pubmed pubmed:27959422 pubmed pubmed:28004344 pubmed pubmed:28029146 pubmed pubmed:28031430 pubmed pubmed:28035396 pubmed pubmed:28067377 pubmed pubmed:28069121 pubmed pubmed:28071803 pubmed pubmed:28090531 pubmed pubmed:28096694 pubmed pubmed:28101184 pubmed pubmed:28101223 pubmed pubmed:28110189 pubmed pubmed:28111945 pubmed pubmed:28112209 pubmed pubmed:28113103 pubmed pubmed:28166217 pubmed pubmed:29423013 pubmed pubmed:30624931 pubmed pubmed:32883638 pubmed reaxys:292084 reaxys wikipedia.en:Luteolin wikipedia.en 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one IUPAC 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-benzopyrone chemidplus 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one chemidplus 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one iupac 3',4',5,7-Tetrahydroxyflavone kegg.compound 5,7,3',4'-Tetrahydroxyflavone kegg.compound Luteolin kegg.compound Luteolol chemidplus Salifazide chemidplus digitoflavone chebi flacitran chebi Any 3-hydroxy steroid whose skeleton is closely related to cholestan-3-ol (additional carbon atoms may be present in the side chain). CHEBI:13688 CHEBI:15114 CHEBI:26771 CHEBI:9266 kegg.compound:C00370 lipidmaps_class:LMST01 metacyc.compound:Sterols wikipedia.en:Sterol sterols chebi_ontology 3-hydroxysteroids Sterol a sterol sterols CHEBI:15889 sterol 0 C19H31OR 275.45 275.23749 *C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C kegg.compound:C00370 kegg.compound lipidmaps_class:LMST01 lipidmaps_class metacyc.compound:Sterols metacyc.compound wikipedia.en:Sterol wikipedia.en sterols IUPAC 3-hydroxysteroids chebi Sterol kegg.compound a sterol uniprot_ft sterols iupac 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. CHEBI:15195 CHEBI:26852 CHEBI:45877 CHEBI:9406 cas:107-35-7 drugbank:DB01956 drugcentral:4486 gmelin:82121 hmdb:HMDB0000251 kegg.compound:C00245 kegg.drug:D00047 knapsack:C00048188 metacyc.compound:TAURINE pdb-ccd:TAU pubmed:10098958 pubmed:10325611 pubmed:10349454 pubmed:10827156 pubmed:11162030 pubmed:11842876 pubmed:11918831 pubmed:11931837 pubmed:12297216 pubmed:12499349 pubmed:12834252 pubmed:14992292 pubmed:15503229 pubmed:15780050 pubmed:15911239 pubmed:16169526 pubmed:16444816 pubmed:16923232 pubmed:17053427 pubmed:17081118 pubmed:17875433 pubmed:17997039 pubmed:18060526 pubmed:18171928 pubmed:19074966 pubmed:19212411 pubmed:19309105 pubmed:19940987 pubmed:2122710 pubmed:21761941 pubmed:22770225 pubmed:2370482 pubmed:24027187 pubmed:2494044 pubmed:27291853 pubmed:27334436 pubmed:27345710 pubmed:27380030 pubmed:27412799 pubmed:27471162 pubmed:27535560 pubmed:3106924 pubmed:3393260 pubmed:6198473 pubmed:7588651 pubmed:8692051 pubmed:8818047 pubmed:9635063 reaxys:1751215 wikipedia.en:Taurine 2-Aminoethanesulfonic acid 2-aminoethanesulfonic acid chebi_ontology 2-Aminoethanesulfonic acid 2-aminoethanesulfonic acid 2-aminoethyl sulfonate Aminoethylsulfonic acid Taurine beta-aminoethylsulfonic acid CHEBI:15891 taurine 0 C2H7NO3S XOAAWQZATWQOTB-UHFFFAOYSA-N InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) 125.149 125.01466 NCCS(=O)(=O)O cas:107-35-7 cas drugbank:DB01956 drugbank drugcentral:4486 drugcentral gmelin:82121 gmelin hmdb:HMDB0000251 hmdb kegg.compound:C00245 kegg.compound kegg.drug:D00047 kegg.drug knapsack:C00048188 knapsack metacyc.compound:TAURINE metacyc.compound pdb-ccd:TAU pdb-ccd pubmed:10098958 pubmed pubmed:10325611 pubmed pubmed:10349454 pubmed pubmed:10827156 pubmed pubmed:11162030 pubmed pubmed:11842876 pubmed pubmed:11918831 pubmed pubmed:11931837 pubmed pubmed:12297216 pubmed pubmed:12499349 pubmed pubmed:12834252 pubmed pubmed:14992292 pubmed pubmed:15503229 pubmed pubmed:15780050 pubmed pubmed:15911239 pubmed pubmed:16169526 pubmed pubmed:16444816 pubmed pubmed:16923232 pubmed pubmed:17053427 pubmed pubmed:17081118 pubmed pubmed:17875433 pubmed pubmed:17997039 pubmed pubmed:18060526 pubmed pubmed:18171928 pubmed pubmed:19074966 pubmed pubmed:19212411 pubmed pubmed:19309105 pubmed pubmed:19940987 pubmed pubmed:2122710 pubmed pubmed:21761941 pubmed pubmed:22770225 pubmed pubmed:2370482 pubmed pubmed:24027187 pubmed pubmed:2494044 pubmed pubmed:27291853 pubmed pubmed:27334436 pubmed pubmed:27345710 pubmed pubmed:27380030 pubmed pubmed:27412799 pubmed pubmed:27471162 pubmed pubmed:27535560 pubmed pubmed:3106924 pubmed pubmed:3393260 pubmed pubmed:6198473 pubmed pubmed:7588651 pubmed pubmed:8692051 pubmed pubmed:8818047 pubmed pubmed:9635063 pubmed reaxys:1751215 reaxys wikipedia.en:Taurine wikipedia.en 2-Aminoethanesulfonic acid KEGG_COMPOUND 2-aminoethanesulfonic acid IUPAC 2-Aminoethanesulfonic acid kegg.compound 2-aminoethanesulfonic acid iupac 2-aminoethyl sulfonate iubmb Aminoethylsulfonic acid kegg.compound Taurine kegg.compound beta-aminoethylsulfonic acid nist A triterpenoid saponin that is the glucosiduronide derivative of 3β-hydroxy-11-oxoolean-12-en-30-oic acid. CHEBI:24418 CHEBI:5508 cas:1405-86-3 drugcentral:1325 hmdb:HMDB0029843 kegg.compound:C02284 lipidmaps:LMPR0106150013 metacyc.compound:GLYCYRRHIZINATE pubmed:11282481 pubmed:15013279 pubmed:24497916 reaxys:77922 wikipedia.en:Glycyrrhizin 30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-beta-D-glucopyranosyluronic acid)-alpha-D-glucopyranosiduronic acid chebi_ontology (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl-2-O-beta-D-glucopyranuronosyl-alpha-D-glucopyranosiduronic acid 30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-beta-D-glucopyranosyluronic acid)-alpha-D-glucopyranosiduronic acid Glycyrrhizic acid Glycyrrhizin CHEBI:15939 glycyrrhizinic acid 0 C42H62O16 LPLVUJXQOOQHMX-QWBHMCJMSA-N 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 822.942 822.40379 [H][C@]12C(=O)C=C3[C@]4([H])C[C@@](C)(C(=O)O)CC[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O[C@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]21C cas:1405-86-3 cas drugcentral:1325 drugcentral hmdb:HMDB0029843 hmdb kegg.compound:C02284 kegg.compound lipidmaps:LMPR0106150013 lipidmaps metacyc.compound:GLYCYRRHIZINATE metacyc.compound pubmed:11282481 pubmed pubmed:15013279 pubmed pubmed:24497916 pubmed reaxys:77922 reaxys wikipedia.en:Glycyrrhizin wikipedia.en 30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-beta-D-glucopyranosyluronic acid)-alpha-D-glucopyranosiduronic acid IUPAC (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl-2-O-beta-D-glucopyranuronosyl-alpha-D-glucopyranosiduronic acid chemidplus 30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-beta-D-glucopyranosyluronic acid)-alpha-D-glucopyranosiduronic acid iupac Glycyrrhizic acid kegg.compound Glycyrrhizin kegg.compound A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group. CHEBI:25538 CHEBI:44319 CHEBI:7559 agr:IND607088605 cas:59-67-6 chemspider:913 drugbank:DB00627 drugcentral:2835 foodb.food:FDB001014 gmelin:3340 hmdb:HMDB0001488 kegg.compound:C00253 kegg.drug:D00049 knapsack:C00000208 lincs.smallmolecule:LSM-4676 metacyc.compound:NIACINE pdb-ccd:NIO pubmed:10540864 pubmed:113218 pubmed:12563315 pubmed:12789870 pubmed:135660 pubmed:14550884 pubmed:15037193 pubmed:15183629 pubmed:15205990 pubmed:15311728 pubmed:15627518 pubmed:15651982 pubmed:16018787 pubmed:16172771 pubmed:16322787 pubmed:16400392 pubmed:16449845 pubmed:16767301 pubmed:16877271 pubmed:16945375 pubmed:18037924 pubmed:182198 pubmed:186078 pubmed:18993152 pubmed:18996527 pubmed:19369827 pubmed:19592242 pubmed:19678716 pubmed:19779335 pubmed:20979384 pubmed:21632263 pubmed:22116693 pubmed:22155410 pubmed:22229411 pubmed:22366213 pubmed:22458880 pubmed:22770225 pubmed:24029555 pubmed:24568240 pubmed:24675661 pubmed:24848081 pubmed:24975217 pubmed:25040591 pubmed:25241762 pubmed:25429652 pubmed:32954525 pubmed:33273654 pubmed:33932650 pubmed:34066686 pubmed:34085526 pubmed:34117670 pubmed:4033386 pubmed:4259917 pubmed:582105 pubmed:699281 pubmed:7217784 pubmed:7581845 pubmed:8306147 pubmed:8423912 pubmed:8679452 pubmed:9107536 reaxys:109591 wikipedia.en:Niacin NICOTINIC ACID Nicotinic acid nicotinic acid pyridine-3-carboxylic acid chebi_ontology 3-Pyridylcarboxylic acid 3-carboxylpyridine 3-carboxypyridine 3-pyridinecarboxylic acid NICOTINIC ACID Niacin Niacor Niaspan Nicotinic acid Nicotinsaure Nikotinsaeure P.P. factor PP factor acide nicotinique acido nicotinico acidum nicotinicum anti-pellagra vitamin beta-pyridinecarboxylic acid m-pyridinecarboxylic acid niacin (b3) nicotinic acid pellagra preventive factor pyridine-3-carboxylic acid pyridine-beta-carboxylic acid pyridine-carboxylique-3 vitamin B3 CHEBI:15940 nicotinic acid 0 C6H5NO2 PVNIIMVLHYAWGP-UHFFFAOYSA-N InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) 123.111 123.03203 O=C(O)c1cccnc1 agr:IND607088605 agr cas:59-67-6 cas chemspider:913 chemspider drugbank:DB00627 drugbank drugcentral:2835 drugcentral foodb.food:FDB001014 foodb.food gmelin:3340 gmelin hmdb:HMDB0001488 hmdb kegg.compound:C00253 kegg.compound kegg.drug:D00049 kegg.drug knapsack:C00000208 knapsack lincs.smallmolecule:LSM-4676 lincs.smallmolecule metacyc.compound:NIACINE metacyc.compound pdb-ccd:NIO pdb-ccd pubmed:10540864 pubmed pubmed:113218 pubmed pubmed:12563315 pubmed pubmed:12789870 pubmed pubmed:135660 pubmed pubmed:14550884 pubmed pubmed:15037193 pubmed pubmed:15183629 pubmed pubmed:15205990 pubmed pubmed:15311728 pubmed pubmed:15627518 pubmed pubmed:15651982 pubmed pubmed:16018787 pubmed pubmed:16172771 pubmed pubmed:16322787 pubmed pubmed:16400392 pubmed pubmed:16449845 pubmed pubmed:16767301 pubmed pubmed:16877271 pubmed pubmed:16945375 pubmed pubmed:18037924 pubmed pubmed:182198 pubmed pubmed:186078 pubmed pubmed:18993152 pubmed pubmed:18996527 pubmed pubmed:19369827 pubmed pubmed:19592242 pubmed pubmed:19678716 pubmed pubmed:19779335 pubmed pubmed:20979384 pubmed pubmed:21632263 pubmed pubmed:22116693 pubmed pubmed:22155410 pubmed pubmed:22229411 pubmed pubmed:22366213 pubmed pubmed:22458880 pubmed pubmed:22770225 pubmed pubmed:24029555 pubmed pubmed:24568240 pubmed pubmed:24675661 pubmed pubmed:24848081 pubmed pubmed:24975217 pubmed pubmed:25040591 pubmed pubmed:25241762 pubmed pubmed:25429652 pubmed pubmed:32954525 pubmed pubmed:33273654 pubmed pubmed:33932650 pubmed pubmed:34066686 pubmed pubmed:34085526 pubmed pubmed:34117670 pubmed pubmed:4033386 pubmed pubmed:4259917 pubmed pubmed:582105 pubmed pubmed:699281 pubmed pubmed:7217784 pubmed pubmed:7581845 pubmed pubmed:8306147 pubmed pubmed:8423912 pubmed pubmed:8679452 pubmed pubmed:9107536 pubmed reaxys:109591 reaxys wikipedia.en:Niacin wikipedia.en NICOTINIC ACID PDBeChem Nicotinic acid KEGG_COMPOUND nicotinic acid IUPAC pyridine-3-carboxylic acid IUPAC 3-Pyridylcarboxylic acid hmdb 3-carboxylpyridine chemidplus 3-carboxypyridine nist 3-pyridinecarboxylic acid kegg.compound NICOTINIC ACID pdb-ccd Niacin kegg.compound Niacor kegg.drug Niaspan kegg.drug Nicotinic acid kegg.compound Nicotinsaure chemidplus Nikotinsaeure chebi P.P. factor nist PP factor nist acide nicotinique who_mednet acido nicotinico who_mednet acidum nicotinicum who_mednet anti-pellagra vitamin nist beta-pyridinecarboxylic acid chebi m-pyridinecarboxylic acid nist nicotinic acid iupac nicotinic acid who_mednet pellagra preventive factor nist pyridine-3-carboxylic acid iupac pyridine-beta-carboxylic acid nist pyridine-carboxylique-3 chemidplus vitamin B3 chebi An acyclic carotene commonly obtained from tomatoes and other red fruits. CHEBI:14541 CHEBI:26367 CHEBI:43789 CHEBI:6596 cas:502-65-8 drugcentral:4617 hmdb:HMDB0003000 kegg.compound:C05432 knapsack:C00000911 lipidmaps:LMPR01070257 metacyc.compound:CPD1F-114 pdb-ccd:LYC pubmed:10443333 pubmed:10493308 pubmed:10620348 pubmed:10720168 pubmed:10837319 pubmed:11117277 pubmed:11137891 pubmed:12239422 pubmed:12726756 pubmed:12792623 pubmed:12910307 pubmed:13129444 pubmed:15054415 pubmed:15065899 pubmed:15341191 pubmed:1550343 pubmed:15830922 pubmed:16194683 pubmed:16549453 pubmed:24397737 pubmed:7616301 pubmed:9100211 reaxys:1730097 wikipedia.en:Lycopene psi,psi-carotene chebi_ontology (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 LYCOPENE Lycopene all-trans-lycopene psi,psi-carotene CHEBI:15948 lycopene 0 C40H56 OAIJSZIZWZSQBC-GYZMGTAESA-N 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+ 536.888 536.4382 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 cas:502-65-8 cas drugcentral:4617 drugcentral hmdb:HMDB0003000 hmdb kegg.compound:C05432 kegg.compound knapsack:C00000911 knapsack lipidmaps:LMPR01070257 lipidmaps metacyc.compound:CPD1F-114 metacyc.compound pdb-ccd:LYC pdb-ccd pubmed:10443333 pubmed pubmed:10493308 pubmed pubmed:10620348 pubmed pubmed:10720168 pubmed pubmed:10837319 pubmed pubmed:11117277 pubmed pubmed:11137891 pubmed pubmed:12239422 pubmed pubmed:12726756 pubmed pubmed:12792623 pubmed pubmed:12910307 pubmed pubmed:13129444 pubmed pubmed:15054415 pubmed pubmed:15065899 pubmed pubmed:15341191 pubmed pubmed:1550343 pubmed pubmed:15830922 pubmed pubmed:16194683 pubmed pubmed:16549453 pubmed pubmed:24397737 pubmed pubmed:7616301 pubmed pubmed:9100211 pubmed reaxys:1730097 reaxys wikipedia.en:Lycopene wikipedia.en psi,psi-carotene IUPAC (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 chebi LYCOPENE pdb-ccd Lycopene kegg.compound all-trans-lycopene chemidplus all-trans-lycopene uniprot_ft psi,psi-carotene iupac An organic heterobicyclic compound that consists of 2-oxohexahydro-1<em>H</em>-thieno[3,4-<em>d</em>]imidazole having a valeric acid substituent attached to the tetrahydrothiophene ring. The parent of the class of biotins. CHEBI:13905 CHEBI:22882 CHEBI:22884 CHEBI:3108 CHEBI:41236 cas:58-85-5 chemspider:149962 drugbank:DB00121 drugcentral:373 foodb.food:FDB014510 gmelin:1918703 hmdb:HMDB0000030 kegg.compound:C00120 kegg.drug:D00029 knapsack:C00000756 lincs.smallmolecule:LSM-3994 metacyc.compound:BIOTIN pdb-ccd:BTN pmc:PMC8089577 pubmed:10064317 pubmed:10215065 pubmed:10577274 pubmed:11435506 pubmed:11481419 pubmed:11800048 pubmed:12055344 pubmed:12070309 pubmed:12603856 pubmed:12803839 pubmed:15012185 pubmed:15202718 pubmed:15272000 pubmed:15690449 pubmed:15863846 pubmed:15899401 pubmed:15992684 pubmed:16011464 pubmed:16195795 pubmed:16419467 pubmed:16676358 pubmed:16677798 pubmed:16704206 pubmed:16769720 pubmed:17297119 pubmed:1814646 pubmed:18202531 pubmed:18452485 pubmed:18509457 pubmed:19212411 pubmed:19319844 pubmed:19727438 pubmed:19928962 pubmed:20967359 pubmed:20974274 pubmed:2100006 pubmed:21248194 pubmed:21356565 pubmed:21373679 pubmed:21596550 pubmed:21871906 pubmed:25515858 pubmed:33346513 pubmed:33461365 pubmed:34077272 pubmed:8333586 pubmed:8750932 pubmed:9022537 pubmed:9038855 pubmed:9094878 pubmed:9164991 pubmed:9176832 pubmed:9371938 pubmed:9416479 reaxys:86838 wikipedia.en:Biotin 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid chebi_ontology (+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valeric acid (3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-valeric acid 5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid BIOTIN Coenzyme R D-(+)-biotin D-Biotin Vitamin H biotin biotina biotine biotinum cis-(+)-Tetrahydro-2-oxothieno[3,4]imidazoline-4-valeric acid cis-Hexahydro-2-oxo-1H-thieno(3,4)imidazole-4-valeric acid cis-Tetrahydro-2-oxothieno(3,4-d)imidazoline-4-valeric acid vitamin B7 CHEBI:15956 biotin 0 C10H16N2O3S YBJHBAHKTGYVGT-ZKWXMUAHSA-N 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 244.316 244.08816 [H][C@]12CS[C@@H](CCCCC(=O)O)[C@@]1([H])NC(=O)N2 cas:58-85-5 cas chemspider:149962 chemspider drugbank:DB00121 drugbank drugcentral:373 drugcentral foodb.food:FDB014510 foodb.food gmelin:1918703 gmelin hmdb:HMDB0000030 hmdb kegg.compound:C00120 kegg.compound kegg.drug:D00029 kegg.drug knapsack:C00000756 knapsack lincs.smallmolecule:LSM-3994 lincs.smallmolecule metacyc.compound:BIOTIN metacyc.compound pdb-ccd:BTN pdb-ccd pmc:PMC8089577 pmc pubmed:10064317 pubmed pubmed:10215065 pubmed pubmed:10577274 pubmed pubmed:11435506 pubmed pubmed:11481419 pubmed pubmed:11800048 pubmed pubmed:12055344 pubmed pubmed:12070309 pubmed pubmed:12603856 pubmed pubmed:12803839 pubmed pubmed:15012185 pubmed pubmed:15202718 pubmed pubmed:15272000 pubmed pubmed:15690449 pubmed pubmed:15863846 pubmed pubmed:15899401 pubmed pubmed:15992684 pubmed pubmed:16011464 pubmed pubmed:16195795 pubmed pubmed:16419467 pubmed pubmed:16676358 pubmed pubmed:16677798 pubmed pubmed:16704206 pubmed pubmed:16769720 pubmed pubmed:17297119 pubmed pubmed:1814646 pubmed pubmed:18202531 pubmed pubmed:18452485 pubmed pubmed:18509457 pubmed pubmed:19212411 pubmed pubmed:19319844 pubmed pubmed:19727438 pubmed pubmed:19928962 pubmed pubmed:20967359 pubmed pubmed:20974274 pubmed pubmed:2100006 pubmed pubmed:21248194 pubmed pubmed:21356565 pubmed pubmed:21373679 pubmed pubmed:21596550 pubmed pubmed:21871906 pubmed pubmed:25515858 pubmed pubmed:33346513 pubmed pubmed:33461365 pubmed pubmed:34077272 pubmed pubmed:8333586 pubmed pubmed:8750932 pubmed pubmed:9022537 pubmed pubmed:9038855 pubmed pubmed:9094878 pubmed pubmed:9164991 pubmed pubmed:9176832 pubmed pubmed:9371938 pubmed pubmed:9416479 pubmed reaxys:86838 reaxys wikipedia.en:Biotin wikipedia.en 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid IUPAC (+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valeric acid hmdb (3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-valeric acid hmdb 5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid hmdb 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid iupac BIOTIN pdb-ccd Coenzyme R kegg.compound D-(+)-biotin nist D-Biotin kegg.compound Vitamin H kegg.compound biotin who_mednet biotina who_mednet biotine who_mednet biotinum who_mednet cis-(+)-Tetrahydro-2-oxothieno[3,4]imidazoline-4-valeric acid hmdb cis-Hexahydro-2-oxo-1H-thieno(3,4)imidazole-4-valeric acid hmdb cis-Tetrahydro-2-oxothieno(3,4-d)imidazoline-4-valeric acid hmdb vitamin B7 nist A mannose with <small>D</small>-configuration. CHEBI:12999 CHEBI:21057 D-manno-hexose D-mannose chebi_ontology D-manno-hexose D-mannose CHEBI:16024 D-mannose 0 C6H12O6 180.156 180.06339 D-manno-hexose IUPAC D-mannose IUPAC D-manno-hexose iupac D-mannose iupac A class of glycerophospholipids in which a phosphatidyl group is esterified to the hydroxy group of ethanolamine. CHEBI:12701 CHEBI:14803 CHEBI:26030 CHEBI:26031 CHEBI:7661 CHEBI:8129 drugbank:DB04327 hmdb:HMDB0060501 kegg.compound:C00350 lipidmaps:LMGP02010000 pubmed:10540156 pubmed:11042504 pubmed:11159918 pubmed:11829744 pubmed:12139474 pubmed:15653902 pubmed:16037249 pubmed:16303767 pubmed:16620109 pubmed:18034796 pubmed:18259190 pubmed:18398168 pubmed:18462396 pubmed:18570887 pubmed:18957134 pubmed:19393163 pubmed:23354482 pubmed:23369752 pubmed:23543734 pubmed:3196084 pubmed:7980848 wikipedia.en:Phosphatidylethanolamine phosphatidyl(amino)ethanols phosphatidylethanolamines chebi_ontology (3-Phosphatidyl)-ethanolamine (3-Phosphatidyl)ethanolamine 1,2-diacyl-sn-glycero-3-phosphoethanolamine 1-Acyl-2-acyl-sn-glycero-3-phosphoethanolamine Cephalin O-(1-beta-Acyl-2-acyl-sn-glycero-3-phospho)ethanolamine PE Phosphatidylethanolamine PtdEtn phosphatidyl(amino)ethanols phosphatidylethanolamines CHEBI:16038 phosphatidylethanolamine 0 C7H12NO8PR2 269.146 269.03005 [1*]C(=O)OCC(COP(=O)(O)OCCN)OC([2*])=O drugbank:DB04327 drugbank hmdb:HMDB0060501 hmdb kegg.compound:C00350 kegg.compound lipidmaps:LMGP02010000 lipidmaps pubmed:10540156 pubmed pubmed:11042504 pubmed pubmed:11159918 pubmed pubmed:11829744 pubmed pubmed:12139474 pubmed pubmed:15653902 pubmed pubmed:16037249 pubmed pubmed:16303767 pubmed pubmed:16620109 pubmed pubmed:18034796 pubmed pubmed:18259190 pubmed pubmed:18398168 pubmed pubmed:18462396 pubmed pubmed:18570887 pubmed pubmed:18957134 pubmed pubmed:19393163 pubmed pubmed:23354482 pubmed pubmed:23369752 pubmed pubmed:23543734 pubmed pubmed:3196084 pubmed pubmed:7980848 pubmed wikipedia.en:Phosphatidylethanolamine wikipedia.en phosphatidyl(amino)ethanols IUPAC phosphatidylethanolamines IUPAC (3-Phosphatidyl)-ethanolamine kegg.compound (3-Phosphatidyl)ethanolamine kegg.compound 1,2-diacyl-sn-glycero-3-phosphoethanolamine lipidmaps 1-Acyl-2-acyl-sn-glycero-3-phosphoethanolamine kegg.compound Cephalin kegg.compound O-(1-beta-Acyl-2-acyl-sn-glycero-3-phospho)ethanolamine kegg.compound PE chebi Phosphatidylethanolamine kegg.compound PtdEtn chebi phosphatidyl(amino)ethanols iupac phosphatidylethanolamines chebi phosphatidylethanolamines iupac A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 3 is substituted by a 2-hydroxyphenyl group. CHEBI:1422 CHEBI:19921 CHEBI:19922 cas:495-78-3 kegg.compound:C01198 knapsack:C00002756 metacyc.compound:MELILOTATE pubmed:14243380 pubmed:14269315 pubmed:4192639 pubmed:7483862 pubmed:7839702 reaxys:1681601 umbbd.compound:c0398 3-(2-hydroxyphenyl)propanoic acid chebi_ontology 2-hydroxybenzenepropanoic acid 3-(2-Hydroxyphenyl)propionic acid 3-(2-hydroxyphenyl)propanoic acid 3-(2-hydroxyphenyl)propionic acid 3-(o-hydroxyphenyl) propionic acid melilotic acid o-Hydroxyphenylpropionic acid CHEBI:16104 3-(2-hydroxyphenyl)propanoic acid 0 C9H10O3 CJBDUOMQLFKVQC-UHFFFAOYSA-N InChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12) 166.176 166.06299 O=C(O)CCc1ccccc1O cas:495-78-3 cas kegg.compound:C01198 kegg.compound knapsack:C00002756 knapsack metacyc.compound:MELILOTATE metacyc.compound pubmed:14243380 pubmed pubmed:14269315 pubmed pubmed:4192639 pubmed pubmed:7483862 pubmed pubmed:7839702 pubmed reaxys:1681601 reaxys umbbd.compound:c0398 umbbd.compound 3-(2-hydroxyphenyl)propanoic acid IUPAC 2-hydroxybenzenepropanoic acid chemidplus 3-(2-Hydroxyphenyl)propionic acid kegg.compound 3-(2-hydroxyphenyl)propanoic acid iupac 3-(2-hydroxyphenyl)propionic acid metacyc.compound 3-(o-hydroxyphenyl) propionic acid metacyc.compound melilotic acid chebi o-Hydroxyphenylpropionic acid chemidplus A cinnamate ester obtained by formal condensation of the carboxy group of <em>trans</em>-caffeic acid with the 3-hydroxy group of quinic acid. It is an intermediate metabolite in the biosynthesis of lignin. CHEBI:13972 CHEBI:23145 CHEBI:3625 cas:327-97-9 hmdb:HMDB0003164 kegg.compound:C00852 knapsack:C00002724 metacyc.compound:CAFFEOYLQUINATE pubmed:16507475 pubmed:22770225 reaxys:2017157 wikipedia.en:Chlorogenic_acid edit(1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid chebi_ontology 3-(3,4-Dihydroxycinnamoyl)quinic acid 3-Caffeoylquinic acid 3-O-Caffeoylquinic acid 5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid Caffeoyl quinic acid Chlorogenate Chlorogenic acid [1S-(1alpha,3beta,4alpha,5alpha)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid edit(1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid trans-5-O-Caffeoyl-D-quinate CHEBI:16112 chlorogenic acid 0 C16H18O9 CWVRJTMFETXNAD-JUHZACGLSA-N 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 354.311 354.09508 O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O cas:327-97-9 cas hmdb:HMDB0003164 hmdb kegg.compound:C00852 kegg.compound knapsack:C00002724 knapsack metacyc.compound:CAFFEOYLQUINATE metacyc.compound pubmed:16507475 pubmed pubmed:22770225 pubmed reaxys:2017157 reaxys wikipedia.en:Chlorogenic_acid wikipedia.en edit(1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid IUPAC 3-(3,4-Dihydroxycinnamoyl)quinic acid chemidplus 3-Caffeoylquinic acid chemidplus 3-O-Caffeoylquinic acid chemidplus 5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid chemidplus Caffeoyl quinic acid kegg.compound Chlorogenate kegg.compound Chlorogenic acid kegg.compound [1S-(1alpha,3beta,4alpha,5alpha)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid chebi edit(1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid iupac trans-5-O-Caffeoyl-D-quinate kegg.compound A cholestanoid consisting of cholestane having a double bond at the 5,6-position as well as a 3β-hydroxy group. CHEBI:13982 CHEBI:23204 CHEBI:3659 CHEBI:41564 cas:57-88-5 drugbank:DB04540 gmelin:550297 hmdb:HMDB0000067 kegg.compound:C00187 kegg.drug:D00040 knapsack:C00003648 lipidmaps:LMST01010001 metacyc.compound:CHOLESTEROL pdb-ccd:CLR pubmed:10901445 pubmed:11412894 pubmed:16341241 pubmed:24287311 pubmed:25308664 pubmed:25451949 pubmed:25522988 pubmed:25658343 pubmed:25977713 pubmed:4696527 pubmed:8838010 reaxys:2060565 wikipedia.en:Cholesterol Cholest-5-en-3beta-ol cholest-5-en-3beta-ol chebi_ontology (3beta,14beta,17alpha)-cholest-5-en-3-ol CHOLESTEROL Cholest-5-en-3beta-ol Cholesterin Cholesterol cholest-5-en-3beta-ol cholesterol CHEBI:16113 cholesterol 0 C27H46O HVYWMOMLDIMFJA-DPAQBDIFSA-N 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 386.664 386.35487 [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCCC(C)C cas:57-88-5 cas drugbank:DB04540 drugbank gmelin:550297 gmelin hmdb:HMDB0000067 hmdb kegg.compound:C00187 kegg.compound kegg.drug:D00040 kegg.drug knapsack:C00003648 knapsack lipidmaps:LMST01010001 lipidmaps metacyc.compound:CHOLESTEROL metacyc.compound pdb-ccd:CLR pdb-ccd pubmed:10901445 pubmed pubmed:11412894 pubmed pubmed:16341241 pubmed pubmed:24287311 pubmed pubmed:25308664 pubmed pubmed:25451949 pubmed pubmed:25522988 pubmed pubmed:25658343 pubmed pubmed:25977713 pubmed pubmed:4696527 pubmed pubmed:8838010 pubmed reaxys:2060565 reaxys wikipedia.en:Cholesterol wikipedia.en Cholest-5-en-3beta-ol KEGG_COMPOUND cholest-5-en-3beta-ol IUPAC (3beta,14beta,17alpha)-cholest-5-en-3-ol iupac CHOLESTEROL pdb-ccd Cholest-5-en-3beta-ol kegg.compound Cholesterin nist Cholesterol kegg.compound cholest-5-en-3beta-ol iupac cholesterol uniprot_ft A cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid substituted by hydroxy groups at positions 3, 4 and 5 (the 3<i>R</i>,4<i>S</i>,5<i>R</i> stereoisomer). It is an intermediate metabolite in plants and microorganisms. CHEBI:26662 CHEBI:26664 CHEBI:45740 CHEBI:9133 cas:138-59-0 hmdb:HMDB0003070 kegg.compound:C00493 knapsack:C00001203 pdb-ccd:SKM pubmed:24190737 pubmed:24628944 pubmed:24783849 pubmed:24836188 pubmed:24894540 pubmed:24981409 reaxys:2210055 wikipedia.en:Shikimic_acid (3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid chebi_ontology (3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid 3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid 3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid L-shikimic acid Shikimate Shikimic acid [3R-(3alpha,4alpha,5beta)]-3,4,5-trihydroxy-1-cyclohexene-1-carboxylic acid CHEBI:16119 shikimic acid 0 C7H10O5 JXOHGGNKMLTUBP-HSUXUTPPSA-N 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 174.152 174.05282 O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 cas:138-59-0 cas hmdb:HMDB0003070 hmdb kegg.compound:C00493 kegg.compound knapsack:C00001203 knapsack pdb-ccd:SKM pdb-ccd pubmed:24190737 pubmed pubmed:24628944 pubmed pubmed:24783849 pubmed pubmed:24836188 pubmed pubmed:24894540 pubmed pubmed:24981409 pubmed reaxys:2210055 reaxys wikipedia.en:Shikimic_acid wikipedia.en (3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid IUPAC (3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid iupac 3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid kegg.compound 3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid chemidplus L-shikimic acid chebi Shikimate kegg.compound Shikimic acid kegg.compound [3R-(3alpha,4alpha,5beta)]-3,4,5-trihydroxy-1-cyclohexene-1-carboxylic acid nist A benzenetriol carrying hydroxy groups at positions 1, 2 and 3. CHEBI:11135 CHEBI:14985 CHEBI:22708 CHEBI:45264 CHEBI:482 cas:87-66-1 hmdb:HMDB0013674 kegg.compound:C01108 knapsack:C00002670 metacyc.compound:PYROGALLOL pubmed:10427737 pubmed:18506365 pubmed:18760383 pubmed:19948158 pubmed:24415452 pubmed:24458986 reaxys:907431 umbbd.compound:c0025 wikipedia.en:Pyrogallol benzene-1,2,3-triol chebi_ontology 1,2,3-Benzenetriol 1,2,3-Trihydroxybenzene 1,2,3-trihydroxybenzene Pyrogallic acid Pyrogallol benzene-1,2,3-triol CHEBI:16164 pyrogallol 0 C6H6O3 WQGWDDDVZFFDIG-UHFFFAOYSA-N InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H 126.111 126.03169 Oc1cccc(O)c1O cas:87-66-1 cas hmdb:HMDB0013674 hmdb kegg.compound:C01108 kegg.compound knapsack:C00002670 knapsack metacyc.compound:PYROGALLOL metacyc.compound pubmed:10427737 pubmed pubmed:18506365 pubmed pubmed:18760383 pubmed pubmed:19948158 pubmed pubmed:24415452 pubmed pubmed:24458986 pubmed reaxys:907431 reaxys umbbd.compound:c0025 umbbd.compound wikipedia.en:Pyrogallol wikipedia.en benzene-1,2,3-triol ChEBI benzene-1,2,3-triol IUPAC 1,2,3-Benzenetriol kegg.compound 1,2,3-Trihydroxybenzene kegg.compound 1,2,3-trihydroxybenzene uniprot_ft Pyrogallic acid kegg.compound Pyrogallol kegg.compound benzene-1,2,3-triol chebi benzene-1,2,3-triol iupac An octadec-9-enoic acid in which the double bond at C-9 has <i>Z</i> (<i>cis</i>) stereochemistry. CHEBI:104361 CHEBI:25664 CHEBI:44741 CHEBI:7741 cas:112-80-1 drugbank:DB04224 drugcentral:3400 ecmdb:ECMDB21348 gmelin:109551 gmelin:57556 hmdb:HMDB0000207 kegg.compound:C00712 kegg.drug:D02315 knapsack:C00001232 lipidmaps:LMFA01030002 pdb-ccd:OLA pubmed:11304127 pubmed:15325315 pubmed:15723125 pubmed:18772370 pubmed:19761868 pubmed:23844805 pubmed:24819471 pubmed:25584012 pubmed:25794012 pubmed:5332408 pubmed:6205897 reaxys:1726542 wikipedia.en:Oleic_acid (9Z)-octadec-9-enoic acid Octadec-9-enoic acid chebi_ontology (9Z)-Octadecenoic acid (9Z)-octadec-9-enoic acid (Z)-Octadec-9-enoic acid 18:1 n-9 18:1Delta9cis C18:1 n-9 FA 18:1 OLEIC ACID Octadec-9-enoic acid Oelsaeure Oleate Oleic acid cis-9-octadecenoic acid cis-Delta(9)-octadecenoic acid cis-oleic acid CHEBI:16196 oleic acid 0 C18H34O2 ZQPPMHVWECSIRJ-KTKRTIGZSA-N 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- 282.468 282.25588 CCCCCCCC/C=CCCCCCCCC(=O)O cas:112-80-1 cas drugbank:DB04224 drugbank drugcentral:3400 drugcentral ecmdb:ECMDB21348 ecmdb gmelin:109551 gmelin gmelin:57556 gmelin hmdb:HMDB0000207 hmdb kegg.compound:C00712 kegg.compound kegg.drug:D02315 kegg.drug knapsack:C00001232 knapsack lipidmaps:LMFA01030002 lipidmaps pdb-ccd:OLA pdb-ccd pubmed:11304127 pubmed pubmed:15325315 pubmed pubmed:15723125 pubmed pubmed:18772370 pubmed pubmed:19761868 pubmed pubmed:23844805 pubmed pubmed:24819471 pubmed pubmed:25584012 pubmed pubmed:25794012 pubmed pubmed:5332408 pubmed pubmed:6205897 pubmed reaxys:1726542 reaxys wikipedia.en:Oleic_acid wikipedia.en (9Z)-octadec-9-enoic acid IUPAC Octadec-9-enoic acid ChEMBL (9Z)-Octadecenoic acid kegg.compound (9Z)-octadec-9-enoic acid iupac (Z)-Octadec-9-enoic acid kegg.compound 18:1 n-9 chebi 18:1Delta9cis chebi C18:1 n-9 chebi FA 18:1 chebi OLEIC ACID pdb-ccd Octadec-9-enoic acid chembl Oelsaeure chebi Oleate kegg.compound Oleic acid kegg.compound cis-9-octadecenoic acid nist cis-Delta(9)-octadecenoic acid chemidplus cis-oleic acid chebi A benzenetriol with hydroxy groups at position 1, 3 and 5. CHEBI:11159 CHEBI:14788 CHEBI:22710 CHEBI:8114 cas:108-73-6 drugcentral:2153 hmdb:HMDB0013675 kegg.compound:C02183 kegg.drug:D00152 knapsack:C00002665 metacyc.compound:CPD-16 pubmed:25456733 pubmed:25640118 reaxys:1341907 umbbd.compound:c0026 wikipedia.en:Phloroglucinol benzene-1,3,5-triol chebi_ontology 1,3,5-Benzenetriol 1,3,5-Trihydroxybenzene 1,3,5-trihydroxybenzene Phloroglucinol benzene-1,3,5-triol s-Trihydroxybenzene CHEBI:16204 phloroglucinol 0 C6H6O3 QCDYQQDYXPDABM-UHFFFAOYSA-N InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H 126.111 126.03169 Oc1cc(O)cc(O)c1 cas:108-73-6 cas drugcentral:2153 drugcentral hmdb:HMDB0013675 hmdb kegg.compound:C02183 kegg.compound kegg.drug:D00152 kegg.drug knapsack:C00002665 knapsack metacyc.compound:CPD-16 metacyc.compound pubmed:25456733 pubmed pubmed:25640118 pubmed reaxys:1341907 reaxys umbbd.compound:c0026 umbbd.compound wikipedia.en:Phloroglucinol wikipedia.en benzene-1,3,5-triol ChEBI benzene-1,3,5-triol IUPAC 1,3,5-Benzenetriol kegg.compound 1,3,5-Trihydroxybenzene kegg.compound 1,3,5-trihydroxybenzene uniprot_ft Phloroglucinol kegg.compound benzene-1,3,5-triol chebi benzene-1,3,5-triol iupac s-Trihydroxybenzene chemidplus CHEBI:14509 CHEBI:14511 CHEBI:25042 CHEBI:6467 agr:IND44319571 cas:1180-71-8 kegg.compound:C03514 kegg.compound:C16717 kegg.drug:D00173 knapsack:C00003719 pubmed:19782062 pubmed:21338095 pubmed:22907263 pubmed:22999474 wikipedia.en:Limonin (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 chebi_ontology (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 7,16-Dioxo-7,16-dideoxylimondiol Citrolimonin Dictamnolactone Evodia fruit Evodin Limonin Limonoate D-ring-lactone Limonoic acid, di-delta-lactone Obaculactone limonin limonoic acid 3,19:16,17-dilactone CHEBI:16226 limonin 0 C26H30O8 KBDSLGBFQAGHBE-MSGMIQHVSA-N 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 470.518 470.19407 [H][C@]12CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@]1(C)C(=O)C[C@@]1([H])C(C)(C)O[C@@]3([H])CC(=O)OC[C@@]213 agr:IND44319571 agr cas:1180-71-8 cas kegg.compound:C03514 kegg.compound kegg.compound:C16717 kegg.compound kegg.drug:D00173 kegg.drug knapsack:C00003719 knapsack pubmed:19782062 pubmed pubmed:21338095 pubmed pubmed:22907263 pubmed pubmed:22999474 pubmed wikipedia.en:Limonin wikipedia.en (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 IUPAC (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 iupac 7,16-Dioxo-7,16-dideoxylimondiol chemidplus Citrolimonin chemidplus Dictamnolactone chemidplus Evodia fruit kegg.drug Evodin kegg.compound Limonin kegg.compound Limonoate D-ring-lactone kegg.compound Limonoic acid, di-delta-lactone chemidplus Obaculactone chemidplus limonin uniprot_ft limonoic acid 3,19:16,17-dilactone chebi 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. CHEBI:11704 CHEBI:14991 CHEBI:26472 CHEBI:45280 CHEBI:8696 cas:117-39-5 drugbank:DB04216 drugcentral:3514 foodb.food:FDB011904 gmelin:579210 hmdb:HMDB0005794 kegg.compound:C00389 knapsack:C00004631 lincs.smallmolecule:LSM-4199 lipidmaps:LMPK12110004 metacyc.compound:CPD-520 patent:KR20120121684 patent:US2013012577 pdb-ccd:QUE pubmed:16226777 pubmed:17015250 pubmed:17135030 pubmed:17426744 pubmed:18096136 pubmed:18484521 pubmed:18549926 pubmed:18564899 pubmed:18579649 pubmed:18785622 pubmed:19043800 pubmed:19461927 pubmed:22920589 pubmed:23342112 pubmed:23359794 pubmed:27565033 pubmed:27589790 pubmed:27591927 pubmed:27704720 reaxys:317313 wikipedia.en:Quercetin 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one chebi_ontology 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one 3,3',4',5,7-pentahydroxyflavone 3,5,7,3',4'-PENTAHYDROXYFLAVONE 3,5,7,3',4'-Pentahydroxyflavone Quercetin sophoretin xanthaurine CHEBI:16243 quercetin 0 C15H10O7 REFJWTPEDVJJIY-UHFFFAOYSA-N 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 302.238 302.04265 O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 cas:117-39-5 cas drugbank:DB04216 drugbank drugcentral:3514 drugcentral foodb.food:FDB011904 foodb.food gmelin:579210 gmelin hmdb:HMDB0005794 hmdb kegg.compound:C00389 kegg.compound knapsack:C00004631 knapsack lincs.smallmolecule:LSM-4199 lincs.smallmolecule lipidmaps:LMPK12110004 lipidmaps metacyc.compound:CPD-520 metacyc.compound patent:KR20120121684 patent patent:US2013012577 patent pdb-ccd:QUE pdb-ccd pubmed:16226777 pubmed pubmed:17015250 pubmed pubmed:17135030 pubmed pubmed:17426744 pubmed pubmed:18096136 pubmed pubmed:18484521 pubmed pubmed:18549926 pubmed pubmed:18564899 pubmed pubmed:18579649 pubmed pubmed:18785622 pubmed pubmed:19043800 pubmed pubmed:19461927 pubmed pubmed:22920589 pubmed pubmed:23342112 pubmed pubmed:23359794 pubmed pubmed:27565033 pubmed pubmed:27589790 pubmed pubmed:27591927 pubmed pubmed:27704720 pubmed reaxys:317313 reaxys wikipedia.en:Quercetin wikipedia.en 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one IUPAC 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one chebi 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one iupac 3,3',4',5,7-pentahydroxyflavone chebi 3,5,7,3',4'-PENTAHYDROXYFLAVONE pdb-ccd 3,5,7,3',4'-Pentahydroxyflavone kegg.compound Quercetin kegg.compound sophoretin chebi xanthaurine chebi A lipid containing phosphoric acid as a mono- or di-ester. The term encompasses phosphatidic acids and phosphoglycerides. CHEBI:14816 CHEBI:26063 CHEBI:8150 kegg.compound:C00865 chebi_ontology Phospholipid a phospholipid derivative phospholipids CHEBI:16247 phospholipid kegg.compound:C00865 kegg.compound Phospholipid kegg.compound a phospholipid derivative uniprot_ft phospholipids chebi An aminoglycan consisting of β-(1→4)-linked <small>D</small>-glucosamine residues. CHEBI:13964 CHEBI:3599 cas:9012-76-4 drugbank:DB14155 foodb.food:FDB015634 hmdb:HMDB0003404 kegg.compound:C00734 kegg.glycan:G10536 metacyc.compound:Chitosan pesticides:chitosan pubmed:33208634 pubmed:34885715 pubmed:36076877 pubmed:36191784 pubmed:36315326 pubmed:36362923 pubmed:36431043 pubmed:36437390 pubmed:36449553 pubmed:36501559 pubmed:36547302 pubmed:36547931 wikipedia.en:Chitosan (1->4)-2-amino-2-deoxy-beta-D-glucan chebi_ontology (1->4)-2-amino-2-deoxy-beta-D-glucan Chitosan Deacetylchitin [4)-beta-D-GlcpN(1->]n beta-1,4-Poly-D-glucosamine poliglusam CHEBI:16261 chitosan 0 (C6H11NO4)n.H2O MSWZFWKMSRAUBD-QZABAPFNSA-N InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6-/m1/s1 179.172 179.07937 [H]O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N cas:9012-76-4 cas drugbank:DB14155 drugbank foodb.food:FDB015634 foodb.food hmdb:HMDB0003404 hmdb kegg.compound:C00734 kegg.compound kegg.glycan:G10536 kegg.glycan metacyc.compound:Chitosan metacyc.compound pesticides:chitosan pesticides pubmed:33208634 pubmed pubmed:34885715 pubmed pubmed:36076877 pubmed pubmed:36191784 pubmed pubmed:36315326 pubmed pubmed:36362923 pubmed pubmed:36431043 pubmed pubmed:36437390 pubmed pubmed:36449553 pubmed pubmed:36501559 pubmed pubmed:36547302 pubmed pubmed:36547931 pubmed wikipedia.en:Chitosan wikipedia.en (1->4)-2-amino-2-deoxy-beta-D-glucan IUPAC (1->4)-2-amino-2-deoxy-beta-D-glucan iupac Chitosan kegg.compound Deacetylchitin chemidplus [4)-beta-D-GlcpN(1->]n iupac beta-1,4-Poly-D-glucosamine kegg.compound poliglusam chemidplus Any member of the class of menaquinones that is 2-methyl-1,4-naphthoquinone with an unsaturated isoprenoid chain at the 3-position. CHEBI:14582 CHEBI:25184 CHEBI:6749 cas:11032-49-8 kegg.compound:C00828 wikipedia.en:Vitamin_K2 chebi_ontology MK-n Menaquinone Menatetrenone a menaquinone menaquinone-n vitamin K2 CHEBI:16374 menaquinone 0 (C5H8)n.C11H8O2 ABSPRNADVQNDOU-UHFFFAOYSA-N InChI=1S/C16H16O2/c1-10(2)8-9-12-11(3)15(17)13-6-4-5-7-14(13)16(12)18/h4-8H,9H2,1-3H3 240.302 240.11503 [H]C/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O cas:11032-49-8 cas kegg.compound:C00828 kegg.compound wikipedia.en:Vitamin_K2 wikipedia.en MK-n chebi Menaquinone kegg.compound Menatetrenone kegg.compound a menaquinone uniprot_ft menaquinone-n chebi vitamin K2 chemidplus CHEBI:14460 CHEBI:49698 CHEBI:5946 beilstein:3587184 cas:20461-54-5 gmelin:14912 kegg.compound:C00708 pdb-ccd:IOD Iodide iodide iodide(1-) chebi_ontology I(-) I- IODIDE ION Iodide iodide iodide(1-) iodine anion CHEBI:16382 iodide -1 I XMBWDFGMSWQBCA-UHFFFAOYSA-M InChI=1S/HI/h1H/p-1 126.904 126.90502 [I-] beilstein:3587184 beilstein cas:20461-54-5 cas gmelin:14912 gmelin kegg.compound:C00708 kegg.compound pdb-ccd:IOD pdb-ccd Iodide KEGG_COMPOUND iodide IUPAC iodide(1-) IUPAC I(-) iupac I- kegg.compound IODIDE ION pdb-ccd Iodide kegg.compound iodide iupac iodide uniprot_ft iodide(1-) iupac iodine anion nist A 2-hydroxy carboxylic acid that is mandelic acid bearing a phenolic hydroxy substituent at position 4. CHEBI:1869 CHEBI:20410 cas:1198-84-1 gmelin:486823 hmdb:HMDB0000822 kegg.compound:C11527 pubmed:22770225 reaxys:2365374 hydroxy(4-hydroxyphenyl)acetic acid chebi_ontology 4-Hydroxymandelic acid 4-hydroxymandelic acid 4-hydroxyphenylglycolic acid hydroxy(4-hydroxyphenyl)acetic acid CHEBI:16388 4-hydroxymandelic acid 0 C8H8O4 YHXHKYRQLYQUIH-UHFFFAOYSA-N InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12) 168.148 168.04226 O=C(O)C(O)c1ccc(O)cc1 cas:1198-84-1 cas gmelin:486823 gmelin hmdb:HMDB0000822 hmdb kegg.compound:C11527 kegg.compound pubmed:22770225 pubmed reaxys:2365374 reaxys hydroxy(4-hydroxyphenyl)acetic acid IUPAC 4-Hydroxymandelic acid kegg.compound 4-hydroxymandelic acid chebi 4-hydroxymandelic acid chemidplus 4-hydroxyphenylglycolic acid chemidplus hydroxy(4-hydroxyphenyl)acetic acid iupac The <i>trans</i>-isomer of caffeic acid. CHEBI:11691 CHEBI:11692 CHEBI:12870 CHEBI:1379 CHEBI:19877 CHEBI:41964 cas:331-39-5 cas:501-16-6 hmdb:HMDB0001964 kegg.compound:C01197 kegg.compound:C01481 knapsack:C00000615 pdb-ccd:DHC pubmed:21503726 reaxys:1954563 wikipedia.en:Caffeic_acid (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid chebi_ontology (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid 3,4-Dihydroxy-trans-cinnamate 3,4-Dihydroxycinnamic acid 3,4-dihydroxy-trans-cinnamate CAFFEIC ACID Caffeic acid trans-Caffeate trans-caffeate CHEBI:16433 trans-caffeic acid 0 C9H8O4 QAIPRVGONGVQAS-DUXPYHPUSA-N 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+ 180.159 180.04226 O=C(O)/C=C/c1ccc(O)c(O)c1 cas:331-39-5 cas cas:501-16-6 cas hmdb:HMDB0001964 hmdb kegg.compound:C01197 kegg.compound kegg.compound:C01481 kegg.compound knapsack:C00000615 knapsack pdb-ccd:DHC pdb-ccd pubmed:21503726 pubmed reaxys:1954563 reaxys wikipedia.en:Caffeic_acid wikipedia.en (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid IUPAC (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid iupac 3,4-Dihydroxy-trans-cinnamate kegg.compound 3,4-Dihydroxycinnamic acid kegg.compound 3,4-dihydroxy-trans-cinnamate chebi CAFFEIC ACID pdb-ccd Caffeic acid kegg.compound trans-Caffeate kegg.compound trans-caffeate chebi An α-amino acid that consists of propionic acid bearing an amino substituent at position 2. CHEBI:13748 CHEBI:22277 CHEBI:2539 cas:302-72-7 drugcentral:4306 gmelin:2449 kegg.compound:C01401 pubmed:17439666 pubmed:22264337 reaxys:635807 wikipedia.en:Alanine 2-Aminopropanoic acid 2-aminopropanoic acid Alanine alanine chebi_ontology 2-Aminopropanoic acid 2-Aminopropionic acid 2-aminopropanoic acid A ALA Alanin Alanine alanina alanine CHEBI:16449 alanine 0 C3H7NO2 QNAYBMKLOCPYGJ-UHFFFAOYSA-N InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6) 89.094 89.04768 CC(N)C(=O)O cas:302-72-7 cas drugcentral:4306 drugcentral gmelin:2449 gmelin kegg.compound:C01401 kegg.compound pubmed:17439666 pubmed pubmed:22264337 pubmed reaxys:635807 reaxys wikipedia.en:Alanine wikipedia.en 2-Aminopropanoic acid KEGG_COMPOUND 2-aminopropanoic acid IUPAC Alanine KEGG_COMPOUND alanine IUPAC 2-Aminopropanoic acid kegg.compound 2-Aminopropionic acid kegg.compound 2-aminopropanoic acid iupac A chebi ALA chebi Alanin chebi Alanine kegg.compound alanina chebi alanine iupac (1S,4R)-fenchone The 3'-<em>O</em>-methyl derivative of luteolin. CHEBI:12083 CHEBI:2006 CHEBI:20519 cas:491-71-4 kegg.compound:C04293 knapsack:C00001029 lipidmaps:LMPK12110799 metacyc.compound:574-TRIHYDROXY-3-METHOXYFLAVONE pubmed:22438130 pubmed:22577954 pubmed:23017389 pubmed:23052184 pubmed:23122135 reaxys:295004 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one chebi_ontology 3'-Methoxyapigenin 3'-O-Methylluteolin 5,7,4'-Trihydroxy-3'-methoxyflavone 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-benzopyrone 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one Chryseriol Chrysoeriol Luteolin 3'-methyl ether CHEBI:16514 4',5,7-trihydroxy-3'-methoxyflavone 0 C16H12O6 SCZVLDHREVKTSH-UHFFFAOYSA-N 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 300.266 300.06339 COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O cas:491-71-4 cas kegg.compound:C04293 kegg.compound knapsack:C00001029 knapsack lipidmaps:LMPK12110799 lipidmaps metacyc.compound:574-TRIHYDROXY-3-METHOXYFLAVONE metacyc.compound pubmed:22438130 pubmed pubmed:22577954 pubmed pubmed:23017389 pubmed pubmed:23052184 pubmed pubmed:23122135 pubmed reaxys:295004 reaxys 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one IUPAC 3'-Methoxyapigenin chemidplus 3'-O-Methylluteolin kegg.compound 5,7,4'-Trihydroxy-3'-methoxyflavone kegg.compound 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-benzopyrone chebi 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one chebi 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one iupac Chryseriol chemidplus Chrysoeriol kegg.compound Luteolin 3'-methyl ether chemidplus 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. CHEBI:14018 CHEBI:23372 CHEBI:3859 cas:458-36-6 kegg.compound:C02666 knapsack:C00002728 metacyc.compound:CONIFERYL-ALDEHYDE pubmed:22034160 pubmed:22466741 pubmed:23302528 pubmed:23725839 pubmed:24010325 reaxys:2048208 wikipedia.en:Coniferyl_aldehyde 3-(4-hydroxy-3-methoxyphenyl)prop-2-enal chebi_ontology (E)-coniferaldehyde 3-(4-hydroxy-3-methoxyphenyl)prop-2-enal 4-Hydroxy-3-methoxycinnamaldehyde 4-hydroxy-3-methoxycinnamaldehyde Coniferaldehyde Coniferyl aldehyde Ferulaldehyde CHEBI:16547 coniferyl aldehyde 0 C10H10O3 DKZBBWMURDFHNE-NSCUHMNNSA-N InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+ 178.187 178.06299 COc1cc(/C=C/C=O)ccc1O cas:458-36-6 cas kegg.compound:C02666 kegg.compound knapsack:C00002728 knapsack metacyc.compound:CONIFERYL-ALDEHYDE metacyc.compound pubmed:22034160 pubmed pubmed:22466741 pubmed pubmed:23302528 pubmed pubmed:23725839 pubmed pubmed:24010325 pubmed reaxys:2048208 reaxys wikipedia.en:Coniferyl_aldehyde wikipedia.en 3-(4-hydroxy-3-methoxyphenyl)prop-2-enal IUPAC (E)-coniferaldehyde uniprot_ft 3-(4-hydroxy-3-methoxyphenyl)prop-2-enal iupac 4-Hydroxy-3-methoxycinnamaldehyde kegg.compound 4-hydroxy-3-methoxycinnamaldehyde chebi Coniferaldehyde kegg.compound Coniferyl aldehyde kegg.compound Ferulaldehyde kegg.compound A trisaccharide composed of α-<small>D</small>-galactopyranose, α-<small>D</small>-glucopyranose and β-<small>D</small>-fructofuranose joined in sequence by 1→6 and 1↔2 glycosidic linkages, respectively. CHEBI:15015 CHEBI:26521 CHEBI:49843 CHEBI:8771 cas:512-69-6 hmdb:HMDB0003213 kegg.compound:C00492 kegg.glycan:G00249 knapsack:C00001145 metacyc.compound:CPD-1099 pdb-ccd:RAF pubmed:23317449 pubmed:23879777 pubmed:23882273 pubmed:24001862 pubmed:24354450 pubmed:24360500 reaxys:99543 wikipedia.en:Raffinose beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside chebi_ontology 6G-alpha-D-galactosylsucrose Gossypose Melitose Melitriose Raffinose alpha-D-Galp-(1->6)-alpha-D-Glcp-(1<->2)-beta-D-Fruf alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranosyl beta-D-fructofuranoside beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside raffinose rafinose raflinose CHEBI:16634 raffinose 0 C18H32O16 MUPFEKGTMRGPLJ-ZQSKZDJDSA-N 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 504.438 504.16903 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 WURCS=2.0/3,3,2/[a2122h-1a_1-5][ha122h-2b_2-5][a2112h-1a_1-5]/1-2-3/a1-b2_a6-c1 cas:512-69-6 cas hmdb:HMDB0003213 hmdb kegg.compound:C00492 kegg.compound kegg.glycan:G00249 kegg.glycan knapsack:C00001145 knapsack metacyc.compound:CPD-1099 metacyc.compound pdb-ccd:RAF pdb-ccd pubmed:23317449 pubmed pubmed:23879777 pubmed pubmed:23882273 pubmed pubmed:24001862 pubmed pubmed:24354450 pubmed pubmed:24360500 pubmed reaxys:99543 reaxys wikipedia.en:Raffinose wikipedia.en beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside IUPAC 6G-alpha-D-galactosylsucrose kegg.compound Gossypose kegg.compound Melitose kegg.compound Melitriose kegg.compound Raffinose kegg.compound alpha-D-Galp-(1->6)-alpha-D-Glcp-(1<->2)-beta-D-Fruf jcbn alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranosyl beta-D-fructofuranoside jcbn beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside iupac raffinose uniprot_ft rafinose chebi raflinose chebi 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 C<small>_<em>m</em></small>(H<small>₂</small>O)<small>_<em>n</em></small>. Compounds obtained from carbohydrates by substitution, etc., are known as carbohydrate derivatives and may contain other elements. Cyclitols are generally not regarded as carbohydrates. CHEBI:15131 CHEBI:23008 CHEBI:9318 wikipedia.en:Carbohydrate carbohydrate carbohydrates chebi_ontology Kohlenhydrat Kohlenhydrate a carbohydrate carbohidrato carbohidratos carbohydrate carbohydrates glucide glucides glucido glucidos hydrates de carbone saccharide saccharides saccharidum CHEBI:16646 carbohydrate wikipedia.en:Carbohydrate wikipedia.en carbohydrate IUPAC carbohydrates IUPAC Kohlenhydrat chebi Kohlenhydrate chebi a carbohydrate uniprot_ft carbohidrato iupac carbohidratos iupac carbohydrate iupac carbohydrates iupac glucide chebi glucides chebi glucido chebi glucidos chebi hydrates de carbone chebi saccharide iupac saccharides iupac saccharidum chebi A group of plant storage proteins having a high proline amino acid content. agr:IND606466950 pubmed:2183790 pubmed:31318957 wikipedia.en:Prolamin chebi_ontology prolamins CHEBI:166885 prolamin agr:IND606466950 agr pubmed:2183790 pubmed pubmed:31318957 pubmed wikipedia.en:Prolamin wikipedia.en prolamins chebi A complex of six monomers, has a predominantly beta-sheet-containing secondary structure pubmed:23192340 wikipedia.en:https://en.wikipedia.org/wiki/Cruciferin chebi_ontology CHEBI:166886 cruciferin pubmed:23192340 pubmed wikipedia.en:https://en.wikipedia.org/wiki/Cruciferin wikipedia.en 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 pubmed:28552833 wikipedia.en:https://en.wikipedia.org/wiki/Glutenin chebi_ontology CHEBI:166887 glutenin pubmed:28552833 pubmed wikipedia.en:https://en.wikipedia.org/wiki/Glutenin wikipedia.en A stigmastane sterol that is 5α-stigmastane carrying a hydroxy group at position 3β and double bonds at positions 7 and 24. CHEBI:80096 agr:IND606116260 agr:IND606555602 agr:IND606838474 agr:IND606982361 agr:IND606998166 cas:23290-26-8 chemspider:4444703 foodb.food:FDB030685 hmdb:HMDB0006851 kegg.compound:C15782 knapsack:C00007322 lipidmaps:LMST01040154 metacyc.compound:CPD-4125 pubmed:11829639 pubmed:20557911 pubmed:28078712 pubmed:30178878 pubmed:31368539 pubmed:31373097 pubmed:32468588 pubmed:32549600 wikipedia.en:Avenasterol (24Z)-5alpha-stigmasta-7,24(28)-dien-3beta-ol chebi_ontology (24Z)-5alpha-stigmasta-7,24(28)-dien-3beta-ol (Z)-24-ethylidene-5alpha-cholest-7-en-3beta-ol 24Z-ethylidene-cholest-7-en-3beta-ol 24Z-ethylidenelathosterol 7-dehydroavenasterol Delta(7)-avenasterol Delta-7-avenasterol delta-7-avenasterol delta7-avenasterol CHEBI:166888 avenasterol 0 C29H48O MCWVPSBQQXUCTB-OQTIOYDCSA-N 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 412.702 412.37052 [H][C@@]12CC=C3[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CC/C(=C/C)C(C)C)[C@@]1(C)CC[C@H](O)C2 agr:IND606116260 agr agr:IND606555602 agr agr:IND606838474 agr agr:IND606982361 agr agr:IND606998166 agr cas:23290-26-8 cas chemspider:4444703 chemspider foodb.food:FDB030685 foodb.food hmdb:HMDB0006851 hmdb kegg.compound:C15782 kegg.compound knapsack:C00007322 knapsack lipidmaps:LMST01040154 lipidmaps metacyc.compound:CPD-4125 metacyc.compound pubmed:11829639 pubmed pubmed:20557911 pubmed pubmed:28078712 pubmed pubmed:30178878 pubmed pubmed:31368539 pubmed pubmed:31373097 pubmed pubmed:32468588 pubmed pubmed:32549600 pubmed wikipedia.en:Avenasterol wikipedia.en (24Z)-5alpha-stigmasta-7,24(28)-dien-3beta-ol IUPAC (24Z)-5alpha-stigmasta-7,24(28)-dien-3beta-ol iupac (Z)-24-ethylidene-5alpha-cholest-7-en-3beta-ol chemidplus 24Z-ethylidene-cholest-7-en-3beta-ol lipidmaps 24Z-ethylidenelathosterol chemidplus 7-dehydroavenasterol kegg.compound Delta(7)-avenasterol chebi Delta-7-avenasterol chebi delta-7-avenasterol chebi delta7-avenasterol chemidplus delta7-avenasterol lipidmaps cas:481-19-6 chebi_ontology Corbisterol CHEBI:166889 delta7-stigmasterol 0 C29H46O OQMZNAMGEHIHNN-CIFIHVIMSA-N 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 410.686 410.35487 [H]O[C@]1([H])C([H])([H])C2=C([H])C([H])=C3[C@]([H])(C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]([H])([C@@]([H])(/C([H])=C([H])[C@@]([H])(C([H])([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@@]34[H])[C@@]2(C([H])([H])[H])C([H])([H])C1([H])[H] cas:481-19-6 cas Corbisterol submitter CHEBI:12911 CHEBI:20908 CHEBI:4099 CHEBI:57860 cas:639-97-4 kegg.compound:C01488 3-C-(hydroxymethyl)-D-glycero-tetrose chebi_ontology 3-C-(hydroxymethyl)-D-glycero-tetrose 3-C-Hydroxymethyltetrose Apiose D-Api D-Apiose aldehydo-D-apiose apiose CHEBI:16689 D-apiose 0 C5H10O5 AVGPOAXYRRIZMM-BYPYZUCNSA-N InChI=1S/C5H10O5/c6-1-4(9)5(10,2-7)3-8/h1,4,7-10H,2-3H2/t4-/m0/s1 150.13 150.05282 O=C[C@H](O)C(O)(CO)CO WURCS=2.0/1,1,0/[o2Xh_3*CO]/1/ cas:639-97-4 cas kegg.compound:C01488 kegg.compound 3-C-(hydroxymethyl)-D-glycero-tetrose IUPAC 3-C-(hydroxymethyl)-D-glycero-tetrose iupac 3-C-Hydroxymethyltetrose chemidplus Apiose chemidplus D-Api jcbn D-Apiose kegg.compound aldehydo-D-apiose uniprot_ft Phenols that include substances containing a phenolic ring and at least one organic carboxylic acid function. cas:29656-58-4 wikipedia.en:https://en.wikipedia.org/wiki/Phenolic_acid chebi_ontology phenolcarboxylic acids CHEBI:166890 phenolic acid cas:29656-58-4 cas wikipedia.en:https://en.wikipedia.org/wiki/Phenolic_acid wikipedia.en phenolcarboxylic acids submitter Phenylpropane is a colorless liquid. The compound consists of a phenyl group attached to allyl. Phenylpropene isomerizes to trans-propenylbenzene. cas:300-57-2 wikipedia.en:https://en.wikipedia.org/wiki/Phenylpropene chebi_ontology CHEBI:166891 phenylpropane cas:300-57-2 cas wikipedia.en:https://en.wikipedia.org/wiki/Phenylpropene wikipedia.en The non-sugar compound remaining after replacement of the glycosyl group from a glycoside by a hydrogen atom. wikipedia.en:Aglycone chebi_ontology aglycon genin CHEBI:166892 aglycone wikipedia.en:Aglycone wikipedia.en aglycon chebi genin chebi wikipedia.en:https://en.wikipedia.org/wiki/Eicosatetraenoic_acid chebi_ontology CHEBI:166893 eicosatetraenoic acid 0 C20H32O2 IQLUYYHUNSSHIY-HZUMYPAESA-N 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+ 304.474 304.24023 [H]OC(=O)/C([H])=C([H])/C([H])=C([H])/C([H])=C([H])/C([H])=C([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] wikipedia.en:https://en.wikipedia.org/wiki/Eicosatetraenoic_acid wikipedia.en pubmed:12570717 chebi_ontology CHEBI:166894 xanthonolignoid 0 C24H20O9 JVIFPKVYVMFZHK-UHFFFAOYSA-N 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 452.415 452.11073 [H]Oc1c([H])c(C2([H])Oc3c([H])c(O[H])c4c(=O)c5c(OC([H])([H])[H])c([H])c([H])c([H])c5oc4c3OC2([H])C([H])([H])O[H])c([H])c([H])c1OC([H])([H])[H] pubmed:12570717 pubmed oligomeric compounds, formed from catechin and epicatechin molecules. They yield cyanidin when depolymerized under oxidative conditions. cas:4852-22-6 wikipedia.en:https://en.wikipedia.org/wiki/Procyanidin chebi_ontology CHEBI:166895 procyanidin 0 C30H26O13 HGVVOUNEGQIPMS-UHFFFAOYSA-N 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 594.525 594.13734 [H]Oc1c([H])c(O[H])c2c(c1[H])OC([H])(c1c([H])c([H])c(O[H])c(O[H])c1[H])C([H])(OC1(c3c([H])c([H])c(O[H])c(O[H])c3[H])Oc3c([H])c(O[H])c([H])c(O[H])c3C([H])(O[H])C1([H])O[H])C2([H])[H] cas:4852-22-6 cas wikipedia.en:https://en.wikipedia.org/wiki/Procyanidin wikipedia.en 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. chebi_ontology CHEBI:166896 peltogynoid compounds having a coumarin skeleton and having an aryl structure at the 3-position pubmed:30746966 chebi_ontology CHEBI:166897 3-arylcoumarin pubmed:30746966 pubmed Allomelanin is a type of nitrogen-free melanin most commonly found in fungi pubmed:31524373 chebi_ontology CHEBI:166898 allomelanin pubmed:31524373 pubmed 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. wikipedia.en:https://en.wikipedia.org/wiki/Globulin chebi_ontology CHEBI:166899 globulin type wikipedia.en:https://en.wikipedia.org/wiki/Globulin wikipedia.en 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. pubmed:32481022 wikipedia.en:https://en.wikipedia.org/wiki/Albumin#Other_albumin_types chebi_ontology CHEBI:166964 albumin type pubmed:32481022 pubmed wikipedia.en:https://en.wikipedia.org/wiki/Albumin#Other_albumin_types wikipedia.en 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. chebi_ontology CHEBI:166965 simple oxygenated xanthones 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. chebi_ontology CHEBI:166966 prenylated and related xanthones 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. wikipedia.en:https://en.wikipedia.org/wiki/Fatty_acid chebi_ontology CHEBI:166967 cis-fatty acid wikipedia.en:https://en.wikipedia.org/wiki/Fatty_acid wikipedia.en 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. wikipedia.en:https://en.wikipedia.org/wiki/Fatty_acid chebi_ontology CHEBI:166968 trans-fatty acid wikipedia.en:https://en.wikipedia.org/wiki/Fatty_acid wikipedia.en 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 B<small>₆</small>, it is converted intoto pyridoxal phosphate which is a coenzyme for synthesis of amino acids, neurotransmitters, sphingolipids and aminolevulinic acid. CHEBI:14981 CHEBI:26429 CHEBI:8671 agr:IND607198670 cas:65-23-6 chemspider:1025 drugbank:DB00165 drugcentral:2836 foodb.food:FDB000574 gmelin:563676 hmdb:HMDB0000239 kegg.compound:C00314 kegg.drug:D08454 knapsack:C00001551 lincs.smallmolecule:LSM-5324 metacyc.compound:PYRIDOXINE pdb-ccd:UEG pubmed:10687314 pubmed:10894227 pubmed:11562405 pubmed:12640345 pubmed:12768081 pubmed:13046427 pubmed:15132238 pubmed:15369738 pubmed:15756083 pubmed:16236150 pubmed:16277693 pubmed:16690736 pubmed:17044573 pubmed:22932811 pubmed:24035968 pubmed:24601602 pubmed:2580028 pubmed:27113583 pubmed:2885064 pubmed:31093449 pubmed:32105687 pubmed:33549283 pubmed:33665688 pubmed:3710434 pubmed:559690 pubmed:6624427 pubmed:6801073 pubmed:9625217 reaxys:139854 wikipedia.en:Pyridoxine 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol chebi_ontology 2-Methyl-3-hydroxy-4,5-dihydroxymethyl-pyridin 2-methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine 2-methyl-3-hydroxy-4,5-di(hydroxymethyl)pyridine 2-methyl-3-hydroxy-4,5-dihydroxymethylpyridine 2-methyl-4,5-bis(hydroxymethyl)-3-hydroxypyridine 2-methyl-4,5-dimethylol-pyridin-3-ol 3-hydroxy-2-picoline-4,5-dimethanol 3-hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridine 3-hydroxy-4,5-dimethylol-alpha-picoline 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol 5-hydroxy-6-methyl-3,4-pyridinedimethanol Pyridoxol piridossina pyridoxina pyridoxine pyridoxinum pyridoxolum vitamin B6 CHEBI:16709 pyridoxine 0 C8H11NO3 LXNHXLLTXMVWPM-UHFFFAOYSA-N InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3 169.18 169.07389 Cc1ncc(CO)c(CO)c1O agr:IND607198670 agr cas:65-23-6 cas chemspider:1025 chemspider drugbank:DB00165 drugbank drugcentral:2836 drugcentral foodb.food:FDB000574 foodb.food gmelin:563676 gmelin hmdb:HMDB0000239 hmdb kegg.compound:C00314 kegg.compound kegg.drug:D08454 kegg.drug knapsack:C00001551 knapsack lincs.smallmolecule:LSM-5324 lincs.smallmolecule metacyc.compound:PYRIDOXINE metacyc.compound pdb-ccd:UEG pdb-ccd pubmed:10687314 pubmed pubmed:10894227 pubmed pubmed:11562405 pubmed pubmed:12640345 pubmed pubmed:12768081 pubmed pubmed:13046427 pubmed pubmed:15132238 pubmed pubmed:15369738 pubmed pubmed:15756083 pubmed pubmed:16236150 pubmed pubmed:16277693 pubmed pubmed:16690736 pubmed pubmed:17044573 pubmed pubmed:22932811 pubmed pubmed:24035968 pubmed pubmed:24601602 pubmed pubmed:2580028 pubmed pubmed:27113583 pubmed pubmed:2885064 pubmed pubmed:31093449 pubmed pubmed:32105687 pubmed pubmed:33549283 pubmed pubmed:33665688 pubmed pubmed:3710434 pubmed pubmed:559690 pubmed pubmed:6624427 pubmed pubmed:6801073 pubmed pubmed:9625217 pubmed reaxys:139854 reaxys wikipedia.en:Pyridoxine wikipedia.en 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol IUPAC 2-Methyl-3-hydroxy-4,5-dihydroxymethyl-pyridin chemidplus 2-methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine chemidplus 2-methyl-3-hydroxy-4,5-di(hydroxymethyl)pyridine chemidplus 2-methyl-3-hydroxy-4,5-dihydroxymethylpyridine nist 2-methyl-4,5-bis(hydroxymethyl)-3-hydroxypyridine chemidplus 2-methyl-4,5-dimethylol-pyridin-3-ol chebi 3-hydroxy-2-picoline-4,5-dimethanol chemidplus 3-hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridine chebi 3-hydroxy-4,5-dimethylol-alpha-picoline nist 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol chebi 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol iupac 5-hydroxy-6-methyl-3,4-pyridinedimethanol nist Pyridoxol kegg.compound piridossina hmdb pyridoxina who_mednet pyridoxine uniprot_ft pyridoxine who_mednet pyridoxinum who_mednet pyridoxolum hmdb vitamin B6 nist 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 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. wikipedia.en:Mineral_(nutrient) essential mineral, element chebi_ontology mineral nutrient mineral nutrients nutrient mineral nutrient minerals CHEBI:167164 mineral nutrient wikipedia.en:Mineral_(nutrient) wikipedia.en mineral nutrient chebi mineral nutrients chebi nutrient mineral chebi nutrient minerals chebi A member of the class of anthocyanin chlorides that has cyanidin 3-<em>O</em>-rutinoside as the cationic counterpart. CHEBI:14039 CHEBI:23431 CHEBI:3976 cas:18719-76-1 kegg.compound:C04491 kegg.drug:D08097 knapsack:C00002376 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside chloride chebi_ontology 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside chloride Antirrhinin Cyanidin 3-rutinoside Cyanidin-3-rhamnoglucoside chloride Keracyanin Prunicyanin Sambucin CHEBI:16726 cyanidin 3-O-rutinoside chloride 0 C27H31O15.Cl ADZHXBNWNZIHIX-XYGAWYNKSA-N 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 630.983 630.13515 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.[Cl-] cas:18719-76-1 cas kegg.compound:C04491 kegg.compound kegg.drug:D08097 kegg.drug knapsack:C00002376 knapsack 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside chloride IUPAC 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside chloride iupac Antirrhinin chemidplus Cyanidin 3-rutinoside kegg.compound Cyanidin-3-rhamnoglucoside chloride chemidplus Cyanidin-3-rhamnoglucoside chloride kegg.compound Keracyanin kegg.compound Prunicyanin chemidplus Sambucin chemidplus An ellagitannin with formula C<small>₄₈</small>H<small>₂₈</small>O<small>₃₀</small>. It is found in pomegranates and exhibits potent antiinflammatory, antiatherogenic, anticancer, and antioxidant activities. agr:IND608581801 cas:65995-63-3 chemspider:29272136 foodb.food:FDB016425 hmdb:HMDB0005795 kegg.compound:C22601 knapsack:C00035378 pmc:PMC10915914 pubmed:38085406 pubmed:38266943 pubmed:38455601 pubmed:38609050 pubmed:38625605 pubmed:38731737 pubmed:38846010 pubmed:38874578 pubmed:38897439 pubmed:38952775 pubmed:39133816 pubmed:39330819 pubmed:39345747 pubmed:39364871 pubmed:39408858 pubmed:39508604 pubmed:39752744 pubmed:39756314 pubmed:39823794 pubmed:39970756 pubmed:39994845 pubmed:40018013 pubmed:9720629 wikipedia.en:Punicalagin (1R,35R,38R,55S)-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[33.20.0.0(4,9).0(10,19).0(13,18).0(16,25).0(17,22).0(26,31).0(38,55).0(41,46).0(47,52)]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 (non-preferred name) chebi_ontology (1R,35R,38R,55S)-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[33.20.0.0(4,9).0(10,19).0(13,18).0(16,25).0(17,22).0(26,31).0(38,55).0(41,46).0(47,52)]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 (non-preferred name) CHEBI:167695 Punicalagin punicalagin 0 C48H28O30 ZJVUMAFASBFUBG-UYMKNUMKSA-N 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 1084.722 1084.06654 O=C1O[C@H]2[C@@H]3OC(=O)c4cc(O)c(O)c(O)c4-c4c(O)c(O)c5oc(=O)c6c(c(O)c(O)c7oc(=O)c4c5c76)-c4c(cc(O)c(O)c4O)C(=O)OC[C@H]3OC(O)[C@@H]2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O agr:IND608581801 agr cas:65995-63-3 cas chemspider:29272136 chemspider foodb.food:FDB016425 foodb.food hmdb:HMDB0005795 hmdb kegg.compound:C22601 kegg.compound knapsack:C00035378 knapsack pmc:PMC10915914 pmc pubmed:38085406 pubmed pubmed:38266943 pubmed pubmed:38455601 pubmed pubmed:38609050 pubmed pubmed:38625605 pubmed pubmed:38731737 pubmed pubmed:38846010 pubmed pubmed:38874578 pubmed pubmed:38897439 pubmed pubmed:38952775 pubmed pubmed:39133816 pubmed pubmed:39330819 pubmed pubmed:39345747 pubmed pubmed:39364871 pubmed pubmed:39408858 pubmed pubmed:39508604 pubmed pubmed:39752744 pubmed pubmed:39756314 pubmed pubmed:39823794 pubmed pubmed:39970756 pubmed pubmed:39994845 pubmed pubmed:40018013 pubmed pubmed:9720629 pubmed wikipedia.en:Punicalagin wikipedia.en (1R,35R,38R,55S)-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[33.20.0.0(4,9).0(10,19).0(13,18).0(16,25).0(17,22).0(26,31).0(38,55).0(41,46).0(47,52)]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 (non-preferred name) IUPAC (1R,35R,38R,55S)-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[33.20.0.0(4,9).0(10,19).0(13,18).0(16,25).0(17,22).0(26,31).0(38,55).0(41,46).0(47,52)]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 (non-preferred name) iupac chemspider:4534655 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 chebi_ontology 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 CHEBI:167696 Punicalin 0 C34H22O22 IQHIEHIKNWLKFB-OBOTWMKHSA-N 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 782.528 782.06027 O=C1OC[C@H]2OC(O)[C@H](O)[C@@H](O)[C@@H]2OC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c3oc(=O)c4c(c(O)c(O)c5oc(=O)c2c3c54)-c2c1cc(O)c(O)c2O chemspider:4534655 chemspider 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 SUBMITTER 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 submitter A glycosyloxyflavone that is apigenin substituted by a β-<small>D</small>-glucopyranosyl moiety at position 7 via a glycosidic linkage. CHEBI:12252 CHEBI:20780 CHEBI:2282 cas:578-74-5 hmdb:HMDB0037340 kegg.compound:C04608 knapsack:C00001017 lincs.smallmolecule:LSM-2286 metacyc.compound:APIGENIN-7-O-BETA-D-GLUCOSIDE pubmed:17186490 pubmed:19112896 pubmed:21656359 pubmed:21756194 reaxys:65669 wikipedia.en:Apigetrin 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside chebi_ontology 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one 7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone Apigenin 7-O-glucoside Apigetrin Cosmetin Cosmosiin Cosmosioside apigenin 7-O-beta-D-glucoside CHEBI:16778 apigenin 7-O-beta-D-glucoside 0 C21H20O10 KMOUJOKENFFTPU-QNDFHXLGSA-N 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 432.381 432.10565 O=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12 cas:578-74-5 cas hmdb:HMDB0037340 hmdb kegg.compound:C04608 kegg.compound knapsack:C00001017 knapsack lincs.smallmolecule:LSM-2286 lincs.smallmolecule metacyc.compound:APIGENIN-7-O-BETA-D-GLUCOSIDE metacyc.compound pubmed:17186490 pubmed pubmed:19112896 pubmed pubmed:21656359 pubmed pubmed:21756194 pubmed reaxys:65669 reaxys wikipedia.en:Apigetrin wikipedia.en 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside IUPAC 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside chebi 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside iupac 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one kegg.compound 7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone kegg.compound Apigenin 7-O-glucoside kegg.compound Apigetrin kegg.compound Cosmetin kegg.compound Cosmosiin kegg.compound Cosmosioside chemidplus apigenin 7-O-beta-D-glucoside chemidplus A hydroxyisoflavanone that is isoflavanone substituted by hydroxy groups at positions 7 and 2' and a methoxy group at position 4'. CHEBI:15307 CHEBI:27284 CHEBI:9972 cas:158112-50-6 cas:66211-83-4 hmdb:HMDB0031620 kegg.compound:C00786 knapsack:C00002584 lipidmaps:LMPK12050462 metacyc.compound:VESTITONE pubmed:20079815 pubmed:22117168 reaxys:19983204 (3R)-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one chebi_ontology (3R)-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one (3R)-vestitol (3R)-vestitone 2,3-Dihydro-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one 7,2'-Dihydroxy-4'-methoxyisoflavanone Vestitone CHEBI:16786 vestitone 0 C16H14O5 WQCJOKYOIJVEFN-ZDUSSCGKSA-N 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 286.283 286.08412 COc1ccc([C@@H]2COc3cc(O)ccc3C2=O)c(O)c1 cas:158112-50-6 cas cas:66211-83-4 cas hmdb:HMDB0031620 hmdb kegg.compound:C00786 kegg.compound knapsack:C00002584 knapsack lipidmaps:LMPK12050462 lipidmaps metacyc.compound:VESTITONE metacyc.compound pubmed:20079815 pubmed pubmed:22117168 pubmed reaxys:19983204 reaxys (3R)-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one IUPAC (3R)-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one iupac (3R)-vestitol chebi (3R)-vestitone uniprot_ft 2,3-Dihydro-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one chemidplus 7,2'-Dihydroxy-4'-methoxyisoflavanone chebi Vestitone kegg.compound CHEBI:13370 CHEBI:25199 CHEBI:25200 CHEBI:49640 CHEBI:5714 kegg.compound:C00703 pdb-ccd:HG umbbd.compound:c0096 mercury(2+) mercury(2+) ion mercury(II) cation chebi_ontology Hg(2+) Hg2+ MERCURY (II) ION Mercuric ion mercuric ion mercury(2+) mercury(2+) ion mercury(II) mercury(II) cation CHEBI:16793 mercury(2+) 2 Hg BQPIGGFYSBELGY-UHFFFAOYSA-N InChI=1S/Hg/q+2 200.59 201.96955 [Hg+2] kegg.compound:C00703 kegg.compound pdb-ccd:HG pdb-ccd umbbd.compound:c0096 umbbd.compound mercury(2+) IUPAC mercury(2+) ion ChEBI mercury(2+) ion IUPAC mercury(II) cation ChEBI mercury(II) cation IUPAC Hg(2+) iupac Hg(2+) uniprot_ft Hg2+ kegg.compound MERCURY (II) ION pdb-ccd Mercuric ion kegg.compound mercuric ion chebi mercury(2+) iupac mercury(2+) ion chebi mercury(2+) ion iupac mercury(II) chebi mercury(II) cation chebi mercury(II) cation iupac A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4. CHEBI:14590 CHEBI:25229 CHEBI:6829 cas:59-51-8 gmelin:3117 kegg.compound:C01733 kegg.drug:D04983 pubmed:16702333 pubmed:22264337 pubmed:2543976 reaxys:636185 umbbd.compound:c0094 wikipedia.en:Methionine Methionine methionine chebi_ontology 2-Amino-4-(methylthio)butyric acid 2-amino-4-(methylsulfanyl)butanoic acid 2-amino-4-(methylthio)butanoic acid DL-Methionine Hmet M Met Methionin Methionine Racemethionine alpha-amino-gamma-methylmercaptobutyric acid methionine metionina CHEBI:16811 methionine 0 C5H11NO2S FFEARJCKVFRZRR-UHFFFAOYSA-N InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8) 149.215 149.05105 CSCCC(N)C(=O)O cas:59-51-8 cas gmelin:3117 gmelin kegg.compound:C01733 kegg.compound kegg.drug:D04983 kegg.drug pubmed:16702333 pubmed pubmed:22264337 pubmed pubmed:2543976 pubmed reaxys:636185 reaxys umbbd.compound:c0094 umbbd.compound wikipedia.en:Methionine wikipedia.en Methionine KEGG_COMPOUND methionine IUPAC 2-Amino-4-(methylthio)butyric acid kegg.compound 2-amino-4-(methylsulfanyl)butanoic acid iupac 2-amino-4-(methylthio)butanoic acid jcbn DL-Methionine kegg.drug Hmet iupac M chebi Met chebi Methionin chebi Methionine kegg.compound Racemethionine kegg.drug alpha-amino-gamma-methylmercaptobutyric acid nist methionine chebi methionine iupac metionina chebi A hydroxyisoflavanone that is isoflavanone with hydroxy substituents at positions 5, 7, 2' and 4' and a prenyl group at position 8. CHEBI:14493 CHEBI:24984 CHEBI:6135 agr:IND23253127 agr:IND44293716 cas:40105-60-0 hmdb:HMDB0034213 kegg.compound:C01590 knapsack:C00002541 lipidmaps:LMPK12050479 metacyc.compound:KIEVITONE-CPD pubmed:16665944 pubmed:21133423 pubmed:7794275 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-chromen-4-one chebi_ontology 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-chromen-4-one Kievitone kievitone CHEBI:16832 kievitone 0 C20H20O6 MERHMOCEIBOOMA-UHFFFAOYSA-N 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 356.374 356.12599 CC(C)=CCc1c(O)cc(O)c2c1OCC(c1ccc(O)cc1O)C2=O agr:IND23253127 agr agr:IND44293716 agr cas:40105-60-0 cas hmdb:HMDB0034213 hmdb kegg.compound:C01590 kegg.compound knapsack:C00002541 knapsack lipidmaps:LMPK12050479 lipidmaps metacyc.compound:KIEVITONE-CPD metacyc.compound pubmed:16665944 pubmed pubmed:21133423 pubmed pubmed:7794275 pubmed 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-chromen-4-one IUPAC 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-chromen-4-one iupac Kievitone kegg.compound kievitone uniprot_ft A tripeptide compound consisting of glutamic acid attached via its side chain to the N-terminus of cysteinylglycine. CHEBI:12402 CHEBI:14327 CHEBI:24334 CHEBI:42873 CHEBI:43049 CHEBI:5437 cas:70-18-8 chemspider:111188 drugbank:DB00143 drugcentral:1312 foodb.food:FDB001498 hmdb:HMDB0000125 kegg.compound:C00051 kegg.drug:D00014 knapsack:C00001518 metacyc.compound:GLUTATHIONE pdb-ccd:GSH pubmed:10577998 pubmed:1362956 pubmed:14988435 pubmed:16112416 pubmed:16316931 pubmed:16391576 pubmed:16404476 pubmed:16621738 pubmed:16650398 pubmed:16780237 pubmed:16877380 pubmed:17439666 pubmed:19580823 pubmed:4200890 pubmed:4745654 pubmed:8207209 reaxys:1729812 wikipedia.en:Glutathione L-gamma-glutamyl-L-cysteinylglycine chebi_ontology 5-L-Glutamyl-L-cysteinylglycine GSH Glutathione Glutathione-SH L-gamma-glutamyl-L-cysteinylglycine N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine Reduced glutathione gamma-L-Glutamyl-L-cysteinyl-glycine CHEBI:16856 glutathione 0 C10H17N3O6S RWSXRVCMGQZWBV-WDSKDSINSA-N 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 307.328 307.08381 N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O cas:70-18-8 cas chemspider:111188 chemspider drugbank:DB00143 drugbank drugcentral:1312 drugcentral foodb.food:FDB001498 foodb.food hmdb:HMDB0000125 hmdb kegg.compound:C00051 kegg.compound kegg.drug:D00014 kegg.drug knapsack:C00001518 knapsack metacyc.compound:GLUTATHIONE metacyc.compound pdb-ccd:GSH pdb-ccd pubmed:10577998 pubmed pubmed:1362956 pubmed pubmed:14988435 pubmed pubmed:16112416 pubmed pubmed:16316931 pubmed pubmed:16391576 pubmed pubmed:16404476 pubmed pubmed:16621738 pubmed pubmed:16650398 pubmed pubmed:16780237 pubmed pubmed:16877380 pubmed pubmed:17439666 pubmed pubmed:19580823 pubmed pubmed:4200890 pubmed pubmed:4745654 pubmed pubmed:8207209 pubmed reaxys:1729812 reaxys wikipedia.en:Glutathione wikipedia.en L-gamma-glutamyl-L-cysteinylglycine IUPAC 5-L-Glutamyl-L-cysteinylglycine kegg.compound GSH kegg.compound Glutathione kegg.compound Glutathione-SH hmdb L-gamma-glutamyl-L-cysteinylglycine iupac N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine kegg.compound Reduced glutathione kegg.compound gamma-L-Glutamyl-L-cysteinyl-glycine kegg.compound A monohydroxybenzoic acid that is benzoic acid with a hydroxy group at the <em>ortho</em> position. It is obtained from the bark of the white willow and wintergreen leaves. CHEBI:26597 CHEBI:45521 CHEBI:9006 cas:69-72-7 drugbank:DB00936 drugcentral:2416 gmelin:3418 hmdb:HMDB0001895 kegg.compound:C00805 kegg.drug:D00097 knapsack:C00000206 lincs.smallmolecule:LSM-4763 metacyc.compound:CPD-110 pdb-ccd:SAL pubmed:11016405 pubmed:12865403 pubmed:1650428 pubmed:19400653 pubmed:19816125 pubmed:22770225 pubmed:29079364 pubmed:32807953 pubmed:3425858 reaxys:774890 wikipedia.en:Salicylic_Acid 2-HYDROXYBENZOIC ACID 2-hydroxybenzoic acid chebi_ontology 2-HYDROXYBENZOIC ACID 2-carboxyphenol 2-hydroxybenzoic acid Salicylic acid o-Hydroxybenzoic acid o-carboxyphenol o-hydroxybenzoic acid CHEBI:16914 salicylic acid 0 C7H6O3 YGSDEFSMJLZEOE-UHFFFAOYSA-N InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) 138.122 138.03169 O=C(O)c1ccccc1O cas:69-72-7 cas drugbank:DB00936 drugbank drugcentral:2416 drugcentral gmelin:3418 gmelin hmdb:HMDB0001895 hmdb kegg.compound:C00805 kegg.compound kegg.drug:D00097 kegg.drug knapsack:C00000206 knapsack lincs.smallmolecule:LSM-4763 lincs.smallmolecule metacyc.compound:CPD-110 metacyc.compound pdb-ccd:SAL pdb-ccd pubmed:11016405 pubmed pubmed:12865403 pubmed pubmed:1650428 pubmed pubmed:19400653 pubmed pubmed:19816125 pubmed pubmed:22770225 pubmed pubmed:29079364 pubmed pubmed:32807953 pubmed pubmed:3425858 pubmed reaxys:774890 reaxys wikipedia.en:Salicylic_Acid wikipedia.en 2-HYDROXYBENZOIC ACID PDBeChem 2-hydroxybenzoic acid IUPAC 2-HYDROXYBENZOIC ACID pdb-ccd 2-carboxyphenol nist 2-hydroxybenzoic acid iupac Salicylic acid kegg.compound o-Hydroxybenzoic acid kegg.compound o-carboxyphenol nist o-hydroxybenzoic acid nist A phytosterol consisting of ergostane having double bonds at the 5,6-, 7,8- and 22,23-positions as well as a 3β-hydroxy group. CHEBI:14214 CHEBI:23942 CHEBI:42264 CHEBI:4825 beilstein:2338604 cas:57-87-4 drugbank:DB04038 kegg.compound:C01694 knapsack:C00003652 knapsack:C00023755 lipidmaps:LMST01030093 pdb-ccd:ERG reaxys:2338604 (22E)-ergosta-5,7,22-trien-3beta-ol chebi_ontology (22E)-ergosta-5,7,22-trien-3beta-ol (22E,24S)-24-methylcholesta-5,7,22-trien-3beta-ol ERGOSTEROL Ergosterol Provitamin D2 ergosterol CHEBI:16933 ergosterol 0 C28H44O DNVPQKQSNYMLRS-APGDWVJJSA-N 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 396.659 396.33922 [H][C@@]12CC[C@]([H])([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC=C2C[C@@H](O)CC[C@@]21C beilstein:2338604 beilstein cas:57-87-4 cas drugbank:DB04038 drugbank kegg.compound:C01694 kegg.compound knapsack:C00003652 knapsack knapsack:C00023755 knapsack lipidmaps:LMST01030093 lipidmaps pdb-ccd:ERG pdb-ccd reaxys:2338604 reaxys (22E)-ergosta-5,7,22-trien-3beta-ol IUPAC (22E)-ergosta-5,7,22-trien-3beta-ol iupac (22E,24S)-24-methylcholesta-5,7,22-trien-3beta-ol jcbn ERGOSTEROL pdb-ccd Ergosterol kegg.compound Provitamin D2 kegg.compound ergosterol uniprot_ft An apigenin flavone glycoside, which is found in the passion flower, bamboo leaves and pearl millet CHEBI:10012 CHEBI:15315 CHEBI:27308 cas:3681-93-4 kegg.compound:C01460 knapsack:C00001110 lipidmaps:LMPK12110194 metacyc.compound:VITEXIN pubmed:21809948 pubmed:22408451 pubmed:22683902 pubmed:22941432 pubmed:23099258 reaxys:67796 wikipedia.en:Vitexin (1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol chebi_ontology (1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol Apigenin 8-C-glucoside Vitexin apigenin 8-C-glucoside CHEBI:16954 vitexin 0 C21H20O10 SGEWCQFRYRRZDC-VPRICQMDSA-N 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 432.381 432.10565 O=c1cc(-c2ccc(O)cc2)oc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12 cas:3681-93-4 cas kegg.compound:C01460 kegg.compound knapsack:C00001110 knapsack lipidmaps:LMPK12110194 lipidmaps metacyc.compound:VITEXIN metacyc.compound pubmed:21809948 pubmed pubmed:22408451 pubmed pubmed:22683902 pubmed pubmed:22941432 pubmed pubmed:23099258 pubmed reaxys:67796 reaxys wikipedia.en:Vitexin wikipedia.en (1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol IUPAC (1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol iupac Apigenin 8-C-glucoside kegg.compound Vitexin kegg.compound apigenin 8-C-glucoside iubmb A polysaccharide composed of two or more different types of monosaccharides, CHEBI:14394 CHEBI:24534 CHEBI:5688 kegg.compound:C01923 chebi_ontology Heteroglycan Heteropolysaccharide heteroglycans CHEBI:16966 heteroglycan kegg.compound:C01923 kegg.compound Heteroglycan kegg.compound Heteropolysaccharide kegg.compound heteroglycans chebi An α,ω-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2. CHEBI:25730 CHEBI:44583 CHEBI:7811 cas:144-62-7 drugbank:DB03902 gmelin:2208 hmdb:HMDB0002329 kegg.compound:C00209 knapsack:C00001198 lipidmaps:LMFA01170031 metacyc.compound:OXALATE pdb-ccd:OXD pubmed:15587083 pubmed:22735334 reaxys:385686 wikipedia.en:Oxalic_acid OXALIC ACID Oxalic acid oxalic acid chebi_ontology Ethandisaeure Ethanedioic acid H2ox HOOCCOOH OXALIC ACID Oxalic acid Oxalsaeure ethane-1,2-dioic acid oxalic acid CHEBI:16995 oxalic acid 0 C2H2O4 MUBZPKHOEPUJKR-UHFFFAOYSA-N InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6) 90.034 89.99531 O=C(O)C(=O)O cas:144-62-7 cas drugbank:DB03902 drugbank gmelin:2208 gmelin hmdb:HMDB0002329 hmdb kegg.compound:C00209 kegg.compound knapsack:C00001198 knapsack lipidmaps:LMFA01170031 lipidmaps metacyc.compound:OXALATE metacyc.compound pdb-ccd:OXD pdb-ccd pubmed:15587083 pubmed pubmed:22735334 pubmed reaxys:385686 reaxys wikipedia.en:Oxalic_acid wikipedia.en OXALIC ACID PDBeChem Oxalic acid KEGG_COMPOUND oxalic acid IUPAC Ethandisaeure chebi Ethanedioic acid kegg.compound H2ox iupac HOOCCOOH nist OXALIC ACID pdb-ccd Oxalic acid kegg.compound Oxalsaeure chebi ethane-1,2-dioic acid nist oxalic acid iupac <small>D</small>-Ribitol in which the hydroxy group at position 5 is substituted by a 7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[<em>g</em>]pteridin-10(2<em>H</em>)-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. CHEBI:15044 CHEBI:27299 CHEBI:45214 CHEBI:529204 CHEBI:8843 cas:83-88-5 chemspider:431981 drugbank:DB00140 drugcentral:2834 foodb.food:FDB012160 hmdb:HMDB0000244 kegg.compound:C00255 kegg.drug:D00050 knapsack:C00001552 lincs.smallmolecule:LSM-4084 metacyc.compound:RIBOFLAVIN patent:US2807611 patent:US2876169 pdb-ccd:RBF pubmed:10566553 pubmed:11399071 pubmed:11606856 pubmed:12083520 pubmed:12354259 pubmed:12927541 pubmed:14963913 pubmed:16273338 pubmed:16460756 pubmed:16658098 pubmed:182198 pubmed:18832377 pubmed:19169240 pubmed:19212411 pubmed:19854891 pubmed:22770225 pubmed:2369885 pubmed:23818044 pubmed:24643482 pubmed:24816110 pubmed:25108762 pubmed:25468971 pubmed:25887755 pubmed:2631092 pubmed:29937405 pubmed:3142982 pubmed:33154451 pubmed:33304888 pubmed:33886098 pubmed:33892358 pubmed:34156642 pubmed:3592624 pubmed:3878498 pubmed:4019261 pubmed:6475825 pubmed:6546833 pubmed:6650303 pubmed:7101408 pubmed:7883462 pubmed:8487103 pubmed:8604671 pubmed:8678471 pubmed:8976642 pubmed:9184778 pubmed:9808225 pubmed:9874201 reaxys:97831 wikipedia.en:Riboflavin 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol chebi_ontology 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentitol 5-deoxy-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol 6,7-dimethyl-9-D-ribitylisoalloxazine 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4(3H,10H)-dione 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)isoalloxazine 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4(3H,10H)-dione 7,8-dimethyl-10-ribitylisoalloxazine Aqua-Flave Beflavin Beflavine Bisulase Dermadram E101 Fiboflavin Flavaxin Flavin Bb Flaxain Hyflavin Vitamin B2 lactoflavin riboflavin riboflavin (vit B2) riboflavina riboflavine riboflavinum vitamin B2 vitamin G vitasan B2 CHEBI:17015 riboflavin 0 C17H20N4O6 AUNGANRZJHBGPY-SCRDCRAPSA-N 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 376.369 376.13828 Cc1cc2nc3c(=O)nc(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C cas:83-88-5 cas chemspider:431981 chemspider drugbank:DB00140 drugbank drugcentral:2834 drugcentral foodb.food:FDB012160 foodb.food hmdb:HMDB0000244 hmdb kegg.compound:C00255 kegg.compound kegg.drug:D00050 kegg.drug knapsack:C00001552 knapsack lincs.smallmolecule:LSM-4084 lincs.smallmolecule metacyc.compound:RIBOFLAVIN metacyc.compound patent:US2807611 patent patent:US2876169 patent pdb-ccd:RBF pdb-ccd pubmed:10566553 pubmed pubmed:11399071 pubmed pubmed:11606856 pubmed pubmed:12083520 pubmed pubmed:12354259 pubmed pubmed:12927541 pubmed pubmed:14963913 pubmed pubmed:16273338 pubmed pubmed:16460756 pubmed pubmed:16658098 pubmed pubmed:182198 pubmed pubmed:18832377 pubmed pubmed:19169240 pubmed pubmed:19212411 pubmed pubmed:19854891 pubmed pubmed:22770225 pubmed pubmed:2369885 pubmed pubmed:23818044 pubmed pubmed:24643482 pubmed pubmed:24816110 pubmed pubmed:25108762 pubmed pubmed:25468971 pubmed pubmed:25887755 pubmed pubmed:2631092 pubmed pubmed:29937405 pubmed pubmed:3142982 pubmed pubmed:33154451 pubmed pubmed:33304888 pubmed pubmed:33886098 pubmed pubmed:33892358 pubmed pubmed:34156642 pubmed pubmed:3592624 pubmed pubmed:3878498 pubmed pubmed:4019261 pubmed pubmed:6475825 pubmed pubmed:6546833 pubmed pubmed:6650303 pubmed pubmed:7101408 pubmed pubmed:7883462 pubmed pubmed:8487103 pubmed pubmed:8604671 pubmed pubmed:8678471 pubmed pubmed:8976642 pubmed pubmed:9184778 pubmed pubmed:9808225 pubmed pubmed:9874201 pubmed reaxys:97831 reaxys wikipedia.en:Riboflavin wikipedia.en 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol IUPAC 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol iupac 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentitol nist 5-deoxy-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol chebi 6,7-dimethyl-9-D-ribitylisoalloxazine chemidplus 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4(3H,10H)-dione chebi 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)isoalloxazine chemidplus 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4(3H,10H)-dione iupac 7,8-dimethyl-10-ribitylisoalloxazine kegg.compound Aqua-Flave chemidplus Beflavin chemidplus Beflavine chemidplus Bisulase kegg.drug Dermadram chemidplus E101 chebi Fiboflavin chemidplus Flavaxin chemidplus Flavin Bb chemidplus Flaxain chemidplus Hyflavin chemidplus Vitamin B2 kegg.compound lactoflavin kegg.compound riboflavin who_mednet riboflavin (vit B2) drugcentral riboflavina who_mednet riboflavine who_mednet riboflavinum who_mednet vitamin B2 chebi vitamin G drugbank vitasan B2 chemidplus A heteroglycan consisting of β-(1→4)-linked <small>D</small>-glucose (G) and <small>D</small>-mannose (M) in a proportion of 5:8. The basic polymeric repeating unit has the pattern: GGMMGMMMMMGGM, with branching through β-(1→3)- and β-(1→6)-glucosyl linkages. Acetate groups are present on C-6 every 9-19 units of the main chain. CHEBI:11105 CHEBI:11106 CHEBI:18834 CHEBI:24263 CHEBI:28236 CHEBI:283 CHEBI:5410 cas:76081-94-2 kegg.compound:C01810 kegg.compound:C02101 kegg.glycan:G11598 pubmed:12356785 pubmed:12569112 pubmed:14983741 pubmed:19108925 pubmed:2840365 pubmed:6096282 pubmed:7872224 pubmed:8365697 pubmed:9742462 reaxys:11315759 reaxys:8188346 chebi_ontology (Glucomannan)n (Glucomannan)n+1 Glucomannan Glucomannoglycan CHEBI:17020 glucomannan cas:76081-94-2 cas kegg.compound:C01810 kegg.compound kegg.compound:C02101 kegg.compound kegg.glycan:G11598 kegg.glycan pubmed:12356785 pubmed pubmed:12569112 pubmed pubmed:14983741 pubmed pubmed:19108925 pubmed pubmed:2840365 pubmed pubmed:6096282 pubmed pubmed:7872224 pubmed pubmed:8365697 pubmed pubmed:9742462 pubmed reaxys:11315759 reaxys reaxys:8188346 reaxys (Glucomannan)n kegg.compound (Glucomannan)n+1 kegg.compound Glucomannan kegg.compound Glucomannoglycan kegg.compound An aminoglycan consisting of β-(1→4)-linked <em>N</em>-acetyl-<small>D</small>-glucosamine residues. CHEBI:13962 CHEBI:23099 CHEBI:3596 cas:1398-61-4 kegg.compound:C00461 kegg.glycan:G10483 (1->4)-2-acetamido-2-deoxy-beta-D-glucan chebi_ontology (1->4)-2-acetamido-2-deoxy-beta-D-glucan Chitin [1,4-(N-Acetyl-beta-D-glucosaminyl)]n [4)-beta-D-GlcpNAc(1->]n beta-1,4-Poly-N-acetyl-D-glucosamine chitin CHEBI:17029 chitin 0 (C8H13NO5)n.H2O OVRNDRQMDRJTHS-FMDGEEDCSA-N InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 221.209 221.08994 [H]O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O cas:1398-61-4 cas kegg.compound:C00461 kegg.compound kegg.glycan:G10483 kegg.glycan (1->4)-2-acetamido-2-deoxy-beta-D-glucan IUPAC (1->4)-2-acetamido-2-deoxy-beta-D-glucan iupac Chitin kegg.compound [1,4-(N-Acetyl-beta-D-glucosaminyl)]n kegg.compound [4)-beta-D-GlcpNAc(1->]n iupac beta-1,4-Poly-N-acetyl-D-glucosamine kegg.compound chitin iupac chitin uniprot_ft 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. CHEBI:1146 CHEBI:11591 CHEBI:19629 cas:90-43-7 drugcentral:4768 hmdb:HMDB0032582 kegg.compound:C02499 kegg.drug:D08367 ppdb:1340 pubmed:14753781 pubmed:23156781 pubmed:23665931 pubmed:24525378 reaxys:606907 umbbd.compound:c0269 wikipedia.en:Biphenyl-2-ol [1,1'-biphenyl]-2-ol chebi_ontology 2-Biphenylol 2-Hydroxybiphenyl 2-Phenylphenol Orthophenyl phenol [1,1'-biphenyl]-2-ol biphenyl-2-ol o-diphenylol o-hydroxybiphenyl o-hydroxydiphenyl o-phenylphenol CHEBI:17043 biphenyl-2-ol 0 C12H10O LLEMOWNGBBNAJR-UHFFFAOYSA-N InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H 170.211 170.07316 Oc1ccccc1-c1ccccc1 cas:90-43-7 cas drugcentral:4768 drugcentral hmdb:HMDB0032582 hmdb kegg.compound:C02499 kegg.compound kegg.drug:D08367 kegg.drug ppdb:1340 ppdb pubmed:14753781 pubmed pubmed:23156781 pubmed pubmed:23665931 pubmed pubmed:24525378 pubmed reaxys:606907 reaxys umbbd.compound:c0269 umbbd.compound wikipedia.en:Biphenyl-2-ol wikipedia.en [1,1'-biphenyl]-2-ol IUPAC 2-Biphenylol kegg.compound 2-Hydroxybiphenyl kegg.compound 2-Phenylphenol kegg.compound Orthophenyl phenol kegg.compound [1,1'-biphenyl]-2-ol iupac biphenyl-2-ol uniprot_ft o-diphenylol chemidplus o-hydroxybiphenyl chemidplus o-hydroxydiphenyl nist o-phenylphenol chemidplus CHEBI:14271 CHEBI:49593 CHEBI:5113 cas:16984-48-8 gmelin:14905 kegg.compound:C00742 pdb-ccd:F Fluoride fluoride fluoride(1-) chebi_ontology F(-) F- FLUORIDE ION Fluoride Fluoride ion Fluorine anion fluoride fluoride(1-) CHEBI:17051 fluoride -1 F KRHYYFGTRYWZRS-UHFFFAOYSA-M InChI=1S/FH/h1H/p-1 18.998 18.99895 [F-] cas:16984-48-8 cas gmelin:14905 gmelin kegg.compound:C00742 kegg.compound pdb-ccd:F pdb-ccd Fluoride KEGG_COMPOUND fluoride IUPAC fluoride(1-) IUPAC F(-) iupac F- kegg.compound FLUORIDE ION pdb-ccd Fluoride kegg.compound Fluoride ion kegg.compound Fluorine anion nist fluoride iupac fluoride uniprot_ft fluoride(1-) iupac The <i>meso</i>-diastereomer of butane-1,2,3,4-tetrol. CHEBI:14215 CHEBI:23946 CHEBI:372804 CHEBI:44263 CHEBI:4840 beilstein:1719753 cas:149-32-6 drugbank:DB04481 gmelin:82499 hmdb:HMDB0002994 kegg.compound:C00503 knapsack:C00001161 metacyc.compound:ERYTHRITOL pdb-ccd:MRY pmc:PMC9193570 pubmed:12639570 pubmed:163226 pubmed:16901854 pubmed:17336832 pubmed:17979222 pubmed:18369603 pubmed:19632091 pubmed:19804861 pubmed:22770225 pubmed:23421980 pubmed:23574577 pubmed:23890177 pubmed:24643482 pubmed:25108762 pubmed:35289142 pubmed:35364613 pubmed:35575772 pubmed:36276829 pubmed:36354105 pubmed:36478868 pubmed:36547619 pubmed:36615861 pubmed:36849732 pubmed:9862657 reaxys:1735878 wikipedia.en:Erythritol MESO-ERYTHRITOL meso-erythritol chebi_ontology (2R,3S)-butane-1,2,3,4-tetrol Erythrit Erythrite Erythritol Erythrol L-erythritol MESO-ERYTHRITOL Phycite Phycitol erythritol erythro-tetritol meso-erythritol mesoerythritol CHEBI:17113 erythritol 0 C4H10O4 UNXHWFMMPAWVPI-ZXZARUISSA-N InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+ 122.12 122.05791 OC[C@@H](O)[C@@H](O)CO beilstein:1719753 beilstein cas:149-32-6 cas drugbank:DB04481 drugbank gmelin:82499 gmelin hmdb:HMDB0002994 hmdb kegg.compound:C00503 kegg.compound knapsack:C00001161 knapsack metacyc.compound:ERYTHRITOL metacyc.compound pdb-ccd:MRY pdb-ccd pmc:PMC9193570 pmc pubmed:12639570 pubmed pubmed:163226 pubmed pubmed:16901854 pubmed pubmed:17336832 pubmed pubmed:17979222 pubmed pubmed:18369603 pubmed pubmed:19632091 pubmed pubmed:19804861 pubmed pubmed:22770225 pubmed pubmed:23421980 pubmed pubmed:23574577 pubmed pubmed:23890177 pubmed pubmed:24643482 pubmed pubmed:25108762 pubmed pubmed:35289142 pubmed pubmed:35364613 pubmed pubmed:35575772 pubmed pubmed:36276829 pubmed pubmed:36354105 pubmed pubmed:36478868 pubmed pubmed:36547619 pubmed pubmed:36615861 pubmed pubmed:36849732 pubmed pubmed:9862657 pubmed reaxys:1735878 reaxys wikipedia.en:Erythritol wikipedia.en MESO-ERYTHRITOL PDBeChem meso-erythritol IUPAC (2R,3S)-butane-1,2,3,4-tetrol iupac Erythrit nist Erythrite kegg.compound Erythritol kegg.compound Erythrol kegg.compound L-erythritol chebi MESO-ERYTHRITOL pdb-ccd Phycite kegg.compound Phycitol kegg.compound erythritol uniprot_ft erythro-tetritol iupac meso-erythritol iupac mesoerythritol chemidplus A pentitol (five-carbon sugar alcohol) having <i>meso</i>-configuration, being derived from xylose by reduction of the carbonyl group. CHEBI:10078 CHEBI:15328 CHEBI:253147 CHEBI:27339 CHEBI:46522 CHEBI:60939 cas:87-99-0 drugbank:DB01904 drugcentral:4604 gmelin:82893 hmdb:HMDB0002917 kegg.compound:C00379 kegg.drug:D00061 metacyc.compound:XYLITOL pdb-ccd:XYL pubmed:11154411 pubmed:11163479 pubmed:12061879 pubmed:15377394 pubmed:16708791 pubmed:16901854 pubmed:17216457 pubmed:17216458 pubmed:17336832 pubmed:17979222 pubmed:18316079 pubmed:20030329 pubmed:22735334 pubmed:22791282 pubmed:23247825 pubmed:23287496 pubmed:23338824 pubmed:23589387 pubmed:23597921 pubmed:23615861 pubmed:23796483 pubmed:23916161 pubmed:23957303 pubmed:24012734 pubmed:24643482 pubmed:25108762 reaxys:1720523 wikipedia.en:Xylitol (2R,3r,4S)-pentane-1,2,3,4,5-pentol meso-xylitol chebi_ontology (2R,3R,4S)-Pentane-1,2,3,4,5-pentaol (2R,3r,4S)-pentane-1,2,3,4,5-pentol D-XYLITOL L-xylitol Xylit Xylitol meso-xylitol xylite xylitol CHEBI:17151 xylitol 0 C5H12O5 HEBKCHPVOIAQTA-SCDXWVJYSA-N InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5+ 152.146 152.06847 OC[C@@H](O)[C@H](O)[C@@H](O)CO WURCS=2.0/1,1,0/[h212h]/1/ cas:87-99-0 cas drugbank:DB01904 drugbank drugcentral:4604 drugcentral gmelin:82893 gmelin hmdb:HMDB0002917 hmdb kegg.compound:C00379 kegg.compound kegg.drug:D00061 kegg.drug metacyc.compound:XYLITOL metacyc.compound pdb-ccd:XYL pdb-ccd pubmed:11154411 pubmed pubmed:11163479 pubmed pubmed:12061879 pubmed pubmed:15377394 pubmed pubmed:16708791 pubmed pubmed:16901854 pubmed pubmed:17216457 pubmed pubmed:17216458 pubmed pubmed:17336832 pubmed pubmed:17979222 pubmed pubmed:18316079 pubmed pubmed:20030329 pubmed pubmed:22735334 pubmed pubmed:22791282 pubmed pubmed:23247825 pubmed pubmed:23287496 pubmed pubmed:23338824 pubmed pubmed:23589387 pubmed pubmed:23597921 pubmed pubmed:23615861 pubmed pubmed:23796483 pubmed pubmed:23916161 pubmed pubmed:23957303 pubmed pubmed:24012734 pubmed pubmed:24643482 pubmed pubmed:25108762 pubmed reaxys:1720523 reaxys wikipedia.en:Xylitol wikipedia.en (2R,3r,4S)-pentane-1,2,3,4,5-pentol IUPAC meso-xylitol IUPAC (2R,3R,4S)-Pentane-1,2,3,4,5-pentaol chembl (2R,3r,4S)-pentane-1,2,3,4,5-pentol iupac D-XYLITOL pdb-ccd L-xylitol chebi Xylit chebi Xylitol kegg.compound meso-xylitol iupac xylite nist xylitol uniprot_ft A tetrasaccharide consisting of sucrose having an α-<small>D</small>-galactosyl-(1→6)-α-<small>D</small>-galactosyl moiety attached at the 6-position of the glucose. CHEBI:15105 CHEBI:26749 CHEBI:9248 cas:10094-58-3 cas:470-55-3 hmdb:HMDB0003553 kegg.compound:C01613 kegg.glycan:G00278 knapsack:C00001150 pubmed:10334866 pubmed:10652123 pubmed:11789231 pubmed:1255266 pubmed:12801075 pubmed:16656948 pubmed:16658766 pubmed:16666190 pubmed:16668659 pubmed:18970754 pubmed:21421343 pubmed:7524207 pubmed:8479952 pubmed:8528153 pubmed:9629861 reaxys:1445746 reaxys:1696669 reaxys:74246 wikipedia.en:Stachyose beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside chebi_ontology O-alpha-D-galactopyranosyl-(1->6)o-alpha-D-galactopyranosyl-(1->6)O-alpha-D-galactopyranosyl-beta-D-fructofuranoside Stachyose alpha-D-Galp-(1->6)-alpha-D-Galp-(1->6)-alpha-D-Glcp-(1<->2)-beta-D-Fruf beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside stachyose CHEBI:17164 stachyose 0 C24H42O21 UQZIYBXSHAGNOE-XNSRJBNMSA-N 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 666.579 666.22186 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 WURCS=2.0/3,4,3/[a2122h-1a_1-5][ha122h-2b_2-5][a2112h-1a_1-5]/1-2-3-3/a1-b2_a6-c1_c6-d1 cas:10094-58-3 cas cas:470-55-3 cas hmdb:HMDB0003553 hmdb kegg.compound:C01613 kegg.compound kegg.glycan:G00278 kegg.glycan knapsack:C00001150 knapsack pubmed:10334866 pubmed pubmed:10652123 pubmed pubmed:11789231 pubmed pubmed:1255266 pubmed pubmed:12801075 pubmed pubmed:16656948 pubmed pubmed:16658766 pubmed pubmed:16666190 pubmed pubmed:16668659 pubmed pubmed:18970754 pubmed pubmed:21421343 pubmed pubmed:7524207 pubmed pubmed:8479952 pubmed pubmed:8528153 pubmed pubmed:9629861 pubmed reaxys:1445746 reaxys reaxys:1696669 reaxys reaxys:74246 reaxys wikipedia.en:Stachyose wikipedia.en beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside IUPAC O-alpha-D-galactopyranosyl-(1->6)o-alpha-D-galactopyranosyl-(1->6)O-alpha-D-galactopyranosyl-beta-D-fructofuranoside chebi Stachyose kegg.compound alpha-D-Galp-(1->6)-alpha-D-Galp-(1->6)-alpha-D-Glcp-(1<->2)-beta-D-Fruf jcbn beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside iupac stachyose uniprot_ft The 1-carboxy-2-(2,4-dihydroxyphenyl)ethyl ester of <i>trans</i>-caffeic acid. CHEBI:15055 CHEBI:26582 CHEBI:8894 CHEBI:8895 cas:537-15-5 pubmed:12482446 pubmed:20071057 pubmed:21364781 pubmed:21838541 pubmed:22236574 pubmed:22439433 pubmed:23016274 pubmed:23116643 pubmed:23122135 pubmed:23381830 pubmed:23414442 pubmed:23548128 pubmed:24085626 pubmed:24097334 pubmed:24262570 3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid chebi_ontology 3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid R-(+)-2-(3,4-Dihydroxycinnamoyloxy)-3-(3,4-dihydroxyphenyl)propionic acid alpha-(((3,4-Dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,4-dihydroxy- benzenepropanoic acid CHEBI:17226 rosmarinic acid 0 C18H16O8 DOUMFZQKYFQNTF-ZZXKWVIFSA-N 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+ 360.318 360.08452 O=C(/C=C/c1ccc(O)c(O)c1)OC(Cc1ccc(O)c(O)c1)C(=O)O cas:537-15-5 cas pubmed:12482446 pubmed pubmed:20071057 pubmed pubmed:21364781 pubmed pubmed:21838541 pubmed pubmed:22236574 pubmed pubmed:22439433 pubmed pubmed:23016274 pubmed pubmed:23116643 pubmed pubmed:23122135 pubmed pubmed:23381830 pubmed pubmed:23414442 pubmed pubmed:23548128 pubmed pubmed:24085626 pubmed pubmed:24097334 pubmed pubmed:24262570 pubmed 3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid IUPAC 3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid iupac R-(+)-2-(3,4-Dihydroxycinnamoyloxy)-3-(3,4-dihydroxyphenyl)propionic acid chemidplus alpha-(((3,4-Dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,4-dihydroxy- benzenepropanoic acid chemidplus An aldohexose used as a source of energy and metabolic intermediate. CHEBI:14313 CHEBI:24277 CHEBI:33929 CHEBI:5418 cas:50-99-7 kegg.compound:C00293 wikipedia.en:Glucose Glucose gluco-hexose glucose chebi_ontology DL-glucose Glc Glucose Glukose gluco-hexose glucose CHEBI:17234 glucose 0 C6H12O6 180.156 180.06339 cas:50-99-7 cas kegg.compound:C00293 kegg.compound wikipedia.en:Glucose wikipedia.en Glucose KEGG_COMPOUND gluco-hexose IUPAC glucose IUPAC DL-glucose chebi Glc jcbn Glucose kegg.compound Glukose chebi gluco-hexose iupac glucose iupac A methylcatechol having a single methyl substituent at the 4-position. It has been isolated from <em>Picea abies</em>. CHEBI:12025 CHEBI:1897 CHEBI:20442 CHEBI:43962 cas:452-86-8 drugbank:DB04120 hmdb:HMDB0000873 kegg.compound:C06730 knapsack:C00002660 pdb-ccd:MCT pubmed:18499097 reaxys:636512 umbbd.compound:c0126 wikipedia.en:4-Methylcatechol 4-methylbenzene-1,2-diol chebi_ontology 1,2-Dihydroxy-4-methylbenzene 1,2-dihydroxy-4-methylbenzene 2-Hydroxy-4-methylphenol 3,4-Dihydroxytoluene 3,4-dihydroxytoluene 4-Methyl-1,2-benzenediol 4-Methyl-1,2-dihydroxybenzene 4-Methylcatechol 4-Methylpyrocatechol 4-methyl-1,2-benzenediol 4-methylbenzene-1,2-diol 4-methylcatechol Homocatechol Homopyrocatechol Toluene-3,4-diol p-Methylcatechol p-Methylpyrocatechol CHEBI:17254 4-methylcatechol 0 C7H8O2 ZBCATMYQYDCTIZ-UHFFFAOYSA-N InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3 124.139 124.05243 Cc1ccc(O)c(O)c1 cas:452-86-8 cas drugbank:DB04120 drugbank hmdb:HMDB0000873 hmdb kegg.compound:C06730 kegg.compound knapsack:C00002660 knapsack pdb-ccd:MCT pdb-ccd pubmed:18499097 pubmed reaxys:636512 reaxys umbbd.compound:c0126 umbbd.compound wikipedia.en:4-Methylcatechol wikipedia.en 4-methylbenzene-1,2-diol IUPAC 1,2-Dihydroxy-4-methylbenzene kegg.compound 1,2-dihydroxy-4-methylbenzene chebi 2-Hydroxy-4-methylphenol nist 3,4-Dihydroxytoluene kegg.compound 3,4-dihydroxytoluene chebi 4-Methyl-1,2-benzenediol kegg.compound 4-Methyl-1,2-dihydroxybenzene chemidplus 4-Methylcatechol kegg.compound 4-Methylpyrocatechol chemidplus 4-methyl-1,2-benzenediol chebi 4-methylbenzene-1,2-diol iupac 4-methylcatechol uniprot_ft Homocatechol chemidplus Homopyrocatechol nist Toluene-3,4-diol chemidplus p-Methylcatechol chemidplus p-Methylpyrocatechol chemidplus An inositol having <i>myo</i>- configuration. CHEBI:10601 CHEBI:12826 CHEBI:12831 CHEBI:25451 CHEBI:43559 cas:87-89-8 drugbank:DB03106 drugcentral:1444 gmelin:82918 hmdb:HMDB0000211 kegg.compound:C00137 kegg.drug:D08079 knapsack:C00001164 metacyc.compound:MYO-INOSITOL pdb-ccd:INS pubmed:11034685 pubmed:11244303 pubmed:11323092 pubmed:11772411 pubmed:12478879 pubmed:12832083 pubmed:14583919 pubmed:14681857 pubmed:15181167 pubmed:15295080 pubmed:15558078 pubmed:16410747 pubmed:1694860 pubmed:17439666 pubmed:17722064 pubmed:18650262 pubmed:18854045 pubmed:19097871 pubmed:19383710 pubmed:22285975 pubmed:22461977 pubmed:22517104 pubmed:838172 reaxys:1907329 wikipedia.en:Inositol myo-Inositol myo-inositol chebi_ontology (1r,2R,3S,4s,5R,6S)-cyclohexane-1,2,3,4,5,6-hexol 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE 1,2,3,5/4,6-cyclohexanehexol 1D-myo-Inositol 1L-myo-Inositol Bios I Cyclohexitol D-myo-Inositol Dambose Inositol Ins L-myo-Inositol Meat sugar Myoinositol cis-1,2,3,5-trans-4,6-cyclohexanehexol i-inositol inosite meso-Inositol myo-Inositol myo-inositol CHEBI:17268 myo-inositol 0 C6H12O6 CDAISMWEOUEBRE-GPIVLXJGSA-N InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- 180.156 180.06339 O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O cas:87-89-8 cas drugbank:DB03106 drugbank drugcentral:1444 drugcentral gmelin:82918 gmelin hmdb:HMDB0000211 hmdb kegg.compound:C00137 kegg.compound kegg.drug:D08079 kegg.drug knapsack:C00001164 knapsack metacyc.compound:MYO-INOSITOL metacyc.compound pdb-ccd:INS pdb-ccd pubmed:11034685 pubmed pubmed:11244303 pubmed pubmed:11323092 pubmed pubmed:11772411 pubmed pubmed:12478879 pubmed pubmed:12832083 pubmed pubmed:14583919 pubmed pubmed:14681857 pubmed pubmed:15181167 pubmed pubmed:15295080 pubmed pubmed:15558078 pubmed pubmed:16410747 pubmed pubmed:1694860 pubmed pubmed:17439666 pubmed pubmed:17722064 pubmed pubmed:18650262 pubmed pubmed:18854045 pubmed pubmed:19097871 pubmed pubmed:19383710 pubmed pubmed:22285975 pubmed pubmed:22461977 pubmed pubmed:22517104 pubmed pubmed:838172 pubmed reaxys:1907329 reaxys wikipedia.en:Inositol wikipedia.en myo-Inositol KEGG_COMPOUND myo-inositol IUPAC (1r,2R,3S,4s,5R,6S)-cyclohexane-1,2,3,4,5,6-hexol iupac 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE pdb-ccd 1,2,3,5/4,6-cyclohexanehexol iupac 1D-myo-Inositol kegg.compound 1L-myo-Inositol kegg.compound Bios I kegg.compound Cyclohexitol kegg.compound D-myo-Inositol kegg.compound Dambose kegg.compound Inositol kegg.compound Ins chebi L-myo-Inositol kegg.compound Meat sugar kegg.compound Myoinositol hmdb cis-1,2,3,5-trans-4,6-cyclohexanehexol chemidplus i-inositol chebi inosite chebi meso-Inositol kegg.compound myo-Inositol kegg.compound myo-inositol iupac myo-inositol uniprot_ft A member of the class of dihydrochalcones that is dihydrochalcone substituted by hydroxy groups at positions 4, 2', 4' and 6'. CHEBI:14787 CHEBI:26014 CHEBI:42649 CHEBI:8111 cas:60-82-2 drugbank:DB07810 hmdb:HMDB0003306 kegg.compound:C00774 knapsack:C00007936 lincs.smallmolecule:LSM-6221 lipidmaps:LMPK12120525 metacyc.compound:PHLORETIN patent:CN102701938 patent:CN103230408 pdb-ccd:G50 pubmed:18767070 pubmed:23907072 pubmed:24487097 pubmed:7126563 reaxys:1887240 wikipedia.en:Phloretin 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one chebi_ontology 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one Phloretin phloretin CHEBI:17276 phloretin 0 C15H14O5 VGEREEWJJVICBM-UHFFFAOYSA-N 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 274.272 274.08412 O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O cas:60-82-2 cas drugbank:DB07810 drugbank hmdb:HMDB0003306 hmdb kegg.compound:C00774 kegg.compound knapsack:C00007936 knapsack lincs.smallmolecule:LSM-6221 lincs.smallmolecule lipidmaps:LMPK12120525 lipidmaps metacyc.compound:PHLORETIN metacyc.compound patent:CN102701938 patent patent:CN103230408 patent pdb-ccd:G50 pdb-ccd pubmed:18767070 pubmed pubmed:23907072 pubmed pubmed:24487097 pubmed pubmed:7126563 pubmed reaxys:1887240 reaxys wikipedia.en:Phloretin wikipedia.en 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one IUPAC 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone chebi 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one iupac Phloretin kegg.compound phloretin uniprot_ft A glycosylglucose consisting of two <small>D</small>-glucopyranose units connected by an α-(1→4)-linkage. CHEBI:14568 CHEBI:25144 CHEBI:6668 cas:69-79-4 drugbank:DB03323 kegg.compound:C00208 kegg.drug:D00044 kegg.glycan:G00275 knapsack:C00001140 pubmed:16332759 pubmed:17723085 pubmed:22094343 pubmed:22185612 pubmed:22246222 pubmed:22252265 pubmed:22411612 pubmed:22424089 pubmed:22451670 pubmed:22469630 pubmed:22529943 pubmed:22573161 pubmed:22669197 reaxys:1292747 wikipedia.en:Maltose alpha-D-glucopyranosyl-(1->4)-D-glucopyranose alpha-D-glucopyranosyl-(1->4)-D-glucose chebi_ontology 1-alpha-D-Glucopyranosyl-4-alpha-D-glucopyranose 4-(alpha-D-glucopyranosido)-alpha-glucopyranose 4-(alpha-D-glucosido)-D-glucose 4-O-alpha-D-glucopyranosyl-D-glucopyranose 4-O-alpha-D-glucopyranosyl-D-glucose Cextromaltose D-(+)-maltose D-maltose Malt sugar Maltose Malzzucker alpha-D-Glcp-(1->4)-D-Glcp alpha-D-Glucopyranosyl-(1->4)-D-glucopyranose alpha-D-glucopyranosyl-(1->4)-D-glucopyranose alpha-D-glucopyranosyl-(1->4)-D-glucose alpha-malt sugar maltobiose CHEBI:17306 maltose 0 C12H22O11 GUBGYTABKSRVRQ-PICCSMPSSA-N 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 342.297 342.11621 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 WURCS=2.0/2,2,1/[a2122h-1x_1-5][a2122h-1a_1-5]/1-2/a4-b1 cas:69-79-4 cas drugbank:DB03323 drugbank kegg.compound:C00208 kegg.compound kegg.drug:D00044 kegg.drug kegg.glycan:G00275 kegg.glycan knapsack:C00001140 knapsack pubmed:16332759 pubmed pubmed:17723085 pubmed pubmed:22094343 pubmed pubmed:22185612 pubmed pubmed:22246222 pubmed pubmed:22252265 pubmed pubmed:22411612 pubmed pubmed:22424089 pubmed pubmed:22451670 pubmed pubmed:22469630 pubmed pubmed:22529943 pubmed pubmed:22573161 pubmed pubmed:22669197 pubmed reaxys:1292747 reaxys wikipedia.en:Maltose wikipedia.en alpha-D-glucopyranosyl-(1->4)-D-glucopyranose IUPAC alpha-D-glucopyranosyl-(1->4)-D-glucose IUPAC 1-alpha-D-Glucopyranosyl-4-alpha-D-glucopyranose kegg.compound 4-(alpha-D-glucopyranosido)-alpha-glucopyranose nist 4-(alpha-D-glucosido)-D-glucose nist 4-O-alpha-D-glucopyranosyl-D-glucopyranose iupac 4-O-alpha-D-glucopyranosyl-D-glucose nist Cextromaltose nist D-(+)-maltose chemidplus D-maltose nist D-maltose uniprot_ft Malt sugar kegg.compound Maltose kegg.compound Malzzucker chebi alpha-D-Glcp-(1->4)-D-Glcp iupac alpha-D-Glucopyranosyl-(1->4)-D-glucopyranose kegg.compound alpha-D-glucopyranosyl-(1->4)-D-glucopyranose iupac alpha-D-glucopyranosyl-(1->4)-D-glucose iupac alpha-malt sugar nist maltobiose nist A heteropolysaccharide containing a large proportion of <small>D</small>-galactopyranosyluronic acid residues in α-(1→4) linkage, of which the hydroxy groups at positions C2 and C3 may be acetylated and carboxy groups at positions C6 may be esterified to varying degrees by methyl groups or be partially or completely converted into salts. CHEBI:14741 CHEBI:26180 CHEBI:7946 cas:9000-69-5 drugbank:DB11158 foodb.food:FDB023162 glytoucan:G72929NG hmdb:HMDB0003402 kegg.compound:C00714 kegg.drug:D02316 kegg.glycan:G10591 metacyc.compound:Pectin pubmed:10093966 pubmed:17930085 pubmed:24751282 pubmed:24798790 pubmed:39829568 pubmed:40376805 pubmed:7446458 pubmed:7960137 pubmed:890983 reaxys:8539058 wikipedia.en:Pectin chebi_ontology Pectin Pektin Pektine Poly(1,4-alpha-D-galacturonide) pectic substance pectina pectinas pectine pectines pectins poly[(1->4)-alpha-D-GalpA] CHEBI:17309 pectin cas:9000-69-5 cas drugbank:DB11158 drugbank foodb.food:FDB023162 foodb.food glytoucan:G72929NG glytoucan hmdb:HMDB0003402 hmdb kegg.compound:C00714 kegg.compound kegg.drug:D02316 kegg.drug kegg.glycan:G10591 kegg.glycan metacyc.compound:Pectin metacyc.compound pubmed:10093966 pubmed pubmed:17930085 pubmed pubmed:24751282 pubmed pubmed:24798790 pubmed pubmed:39829568 pubmed pubmed:40376805 pubmed pubmed:7446458 pubmed pubmed:7960137 pubmed pubmed:890983 pubmed reaxys:8539058 reaxys wikipedia.en:Pectin wikipedia.en Pectin kegg.compound Pektin chebi Pektine chebi Poly(1,4-alpha-D-galacturonide) kegg.compound pectic substance chebi pectina chebi pectinas chebi pectine chebi pectines chebi pectins chebi poly[(1->4)-alpha-D-GalpA] chebi A diterpenoid that is hexadec-2-en-1-ol substituted by methyl groups at positions 3, 7, 11 and 15. CHEBI:14836 CHEBI:26121 CHEBI:8193 cas:150-86-7 cas:7541-49-3 hmdb:HMDB0002019 kegg.compound:C01389 knapsack:C00003467 lipidmaps:LMPR0104010002 metacyc.compound:PHYTOL pubmed:17015885 pubmed:24333358 pubmed:24392173 pubmed:24422895 reaxys:7855349 (2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol chebi_ontology (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-ol (2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol Phytol phytol trans-Phytol CHEBI:17327 phytol 0 C20H40O BOTWFXYSPFMFNR-PYDDKJGSSA-N 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 296.539 296.30792 C/C(=CCO)CCC[C@H](C)CCC[C@H](C)CCCC(C)C cas:150-86-7 cas cas:7541-49-3 cas hmdb:HMDB0002019 hmdb kegg.compound:C01389 kegg.compound knapsack:C00003467 knapsack lipidmaps:LMPR0104010002 lipidmaps metacyc.compound:PHYTOL metacyc.compound pubmed:17015885 pubmed pubmed:24333358 pubmed pubmed:24392173 pubmed pubmed:24422895 pubmed reaxys:7855349 reaxys (2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol IUPAC (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-ol chebi (2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol iupac Phytol kegg.compound phytol uniprot_ft trans-Phytol chemidplus A retinol in which all four exocyclic double bonds have <i>E</i>- (<i>trans</i>-) geometry. CHEBI:12783 CHEBI:22349 CHEBI:8816 beilstein:403040 cas:11103-57-4 cas:68-26-8 chemspider:393012 drugbank:DB00162 drugcentral:2831 gmelin:247497 hmdb:HMDB0000305 kegg.compound:C00473 kegg.compound:C17276 kegg.drug:D00069 kegg.drug:D06543 knapsack:C00031437 lipidmaps:LMPR01090001 metacyc.compound:CPD-13524 pdb-ccd:RTL pubmed:10637381 pubmed:12074187 pubmed:12221269 pubmed:12229281 pubmed:12548314 pubmed:12600856 pubmed:1414975 pubmed:15041701 pubmed:15051608 pubmed:15531678 pubmed:15622799 pubmed:15929633 pubmed:16469975 pubmed:16507353 pubmed:16825693 pubmed:17790232 pubmed:19264891 pubmed:20697621 pubmed:2217163 pubmed:22444309 pubmed:2295828 pubmed:25478840 pubmed:30510477 pubmed:31484771 pubmed:7971717 pubmed:8464067 pubmed:8496140 pubmed:9155646 pubmed:9736606 wikipedia.en:Retinol all-trans-Retinol all-trans-retinol chebi_ontology (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol (all-E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol Alphalin Aquasol A Chocola A Vitamin A1 all-trans retinol all-trans-Retinol all-trans-retinol all-trans-retinyl alcohol all-trans-vitamin A all-trans-vitamin A alcohol retinol retinol (vit A) retinolum trans-retinol vitamin A vitamin A alcohol vitamin A1 vitamin A1 alcohol CHEBI:17336 all-trans-retinol 0 C20H30O FPIPGXGPPPQFEQ-OVSJKPMPSA-N 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+ 286.459 286.22967 CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1 beilstein:403040 beilstein cas:11103-57-4 cas cas:68-26-8 cas chemspider:393012 chemspider drugbank:DB00162 drugbank drugcentral:2831 drugcentral gmelin:247497 gmelin hmdb:HMDB0000305 hmdb kegg.compound:C00473 kegg.compound kegg.compound:C17276 kegg.compound kegg.drug:D00069 kegg.drug kegg.drug:D06543 kegg.drug knapsack:C00031437 knapsack lipidmaps:LMPR01090001 lipidmaps metacyc.compound:CPD-13524 metacyc.compound pdb-ccd:RTL pdb-ccd pubmed:10637381 pubmed pubmed:12074187 pubmed pubmed:12221269 pubmed pubmed:12229281 pubmed pubmed:12548314 pubmed pubmed:12600856 pubmed pubmed:1414975 pubmed pubmed:15041701 pubmed pubmed:15051608 pubmed pubmed:15531678 pubmed pubmed:15622799 pubmed pubmed:15929633 pubmed pubmed:16469975 pubmed pubmed:16507353 pubmed pubmed:16825693 pubmed pubmed:17790232 pubmed pubmed:19264891 pubmed pubmed:20697621 pubmed pubmed:2217163 pubmed pubmed:22444309 pubmed pubmed:2295828 pubmed pubmed:25478840 pubmed pubmed:30510477 pubmed pubmed:31484771 pubmed pubmed:7971717 pubmed pubmed:8464067 pubmed pubmed:8496140 pubmed pubmed:9155646 pubmed pubmed:9736606 pubmed wikipedia.en:Retinol wikipedia.en all-trans-Retinol KEGG_COMPOUND all-trans-retinol IUPAC (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol iupac (all-E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol hmdb Alphalin chemidplus Aquasol A kegg.drug Chocola A chemidplus Vitamin A1 kegg.compound all-trans retinol chemidplus all-trans-Retinol kegg.compound all-trans-retinol iupac all-trans-retinol uniprot_ft all-trans-retinyl alcohol chemidplus all-trans-vitamin A chemidplus all-trans-vitamin A alcohol nist retinol who_mednet retinol (vit A) drugcentral retinolum who_mednet trans-retinol hmdb vitamin A kegg.compound vitamin A alcohol chemidplus vitamin A1 chebi vitamin A1 alcohol chemidplus An octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have <i>Z</i> (<i>cis</i>) stereochemistry. CHEBI:25047 CHEBI:42395 CHEBI:6479 cas:60-33-3 drugcentral:3323 gmelin:57557 hmdb:HMDB0000673 kegg.compound:C01595 knapsack:C00001224 lipidmaps:LMFA01030120 metacyc.compound:LINOLEIC_ACID pdb-ccd:EIC pubmed:11113630 pubmed:11304127 pubmed:11322990 pubmed:14667063 pubmed:14993245 pubmed:15115315 pubmed:15642793 pubmed:15969511 pubmed:16254037 pubmed:16563718 pubmed:17647039 pubmed:18044828 pubmed:18990554 pubmed:19628674 pubmed:19936816 pubmed:23900039 pubmed:24081493 pubmed:6205897 reaxys:1727101 wikipedia.en:Linoleic_acid (9Z,12Z)-octadeca-9,12-dienoic acid chebi_ontology (9Z,12Z)-Octadecadienoic acid (9Z,12Z)-octadeca-9,12-dienoic acid (Z,Z)-9,12-octadecadienoic acid 9-cis,12-cis-Octadecadienoic acid 9Z,12Z-octadecadienoic acid C18:2 9c, 12c omega6 todos cis-9,12-octadienoico C18:2, n-6,9 all-cis LA LINOLEIC ACID Linoleic acid acide cis-linoleique acide linoleique acido linoleico all-cis-9,12-octadecadienoic acid cis,cis-9,12-octadecadienoic acid cis,cis-linoleic acid cis-Delta(9,12)-octadecadienoic acid linolic acid CHEBI:17351 linoleic acid 0 C18H32O2 OYHQOLUKZRVURQ-HZJYTTRNSA-N 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- 280.452 280.24023 CCCCC/C=CC/C=CCCCCCCCC(=O)O cas:60-33-3 cas drugcentral:3323 drugcentral gmelin:57557 gmelin hmdb:HMDB0000673 hmdb kegg.compound:C01595 kegg.compound knapsack:C00001224 knapsack lipidmaps:LMFA01030120 lipidmaps metacyc.compound:LINOLEIC_ACID metacyc.compound pdb-ccd:EIC pdb-ccd pubmed:11113630 pubmed pubmed:11304127 pubmed pubmed:11322990 pubmed pubmed:14667063 pubmed pubmed:14993245 pubmed pubmed:15115315 pubmed pubmed:15642793 pubmed pubmed:15969511 pubmed pubmed:16254037 pubmed pubmed:16563718 pubmed pubmed:17647039 pubmed pubmed:18044828 pubmed pubmed:18990554 pubmed pubmed:19628674 pubmed pubmed:19936816 pubmed pubmed:23900039 pubmed pubmed:24081493 pubmed pubmed:6205897 pubmed reaxys:1727101 reaxys wikipedia.en:Linoleic_acid wikipedia.en (9Z,12Z)-octadeca-9,12-dienoic acid IUPAC (9Z,12Z)-Octadecadienoic acid kegg.compound (9Z,12Z)-octadeca-9,12-dienoic acid iupac (Z,Z)-9,12-octadecadienoic acid nist 9-cis,12-cis-Octadecadienoic acid kegg.compound 9Z,12Z-octadecadienoic acid lipidmaps C18:2 9c, 12c omega6 todos cis-9,12-octadienoico chebi C18:2, n-6,9 all-cis chebi LA chebi LINOLEIC ACID pdb-ccd Linoleic acid kegg.compound acide cis-linoleique chebi acide linoleique chebi acido linoleico chebi all-cis-9,12-octadecadienoic acid chebi cis,cis-9,12-octadecadienoic acid chebi cis,cis-linoleic acid chebi cis,cis-linoleic acid nist cis-Delta(9,12)-octadecadienoic acid chemidplus linolic acid chebi A sulfur oxoanion that is the conjugate base of hydrogen sulfite (H<small>₂</small>SO<small>₃</small>). CHEBI:15139 CHEBI:45548 cas:14265-45-3 gmelin:1449 pdb-ccd:SO3 sulfite trioxidosulfate(2-) trioxosulfate(2-) trioxosulfate(IV) chebi_ontology SO3 SO3(2-) SULFITE ION [SO3](2-) sulfite sulphite trioxidosulfate(2-) trioxosulfate(2-) trioxosulfate(IV) CHEBI:17359 sulfite -2 O3S LSNNMFCWUKXFEE-UHFFFAOYSA-L InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2 80.064 79.95791 O=S([O-])[O-] cas:14265-45-3 cas gmelin:1449 gmelin pdb-ccd:SO3 pdb-ccd sulfite IUPAC trioxidosulfate(2-) IUPAC trioxosulfate(2-) IUPAC trioxosulfate(IV) IUPAC SO3 chebi SO3(2-) iupac SULFITE ION pdb-ccd [SO3](2-) iupac sulfite iupac sulfite uniprot_ft sulphite chebi trioxidosulfate(2-) iupac trioxosulfate(2-) iupac trioxosulfate(IV) iupac The <i>cis</i>-isomer of caffeic acid. CHEBI:13929 CHEBI:19880 CHEBI:19881 CHEBI:22979 CHEBI:3292 CHEBI:36089 cas:331-39-5 drugbank:DB01880 hmdb:HMDB0001964 kegg.compound:C01481 metacyc.compound:CPD-8098 pubmed:19812218 pubmed:19952409 pubmed:24088646 pubmed:24138287 pubmed:24206679 reaxys:2210884 (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid chebi_ontology (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid 3,4-Dihydroxycinnamic acid Caffeate Caffeic acid cis-Caffeic acid CHEBI:17395 cis-caffeic acid 0 C9H8O4 QAIPRVGONGVQAS-RQOWECAXSA-N 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- 180.159 180.04226 O=C(O)/C=Cc1ccc(O)c(O)c1 cas:331-39-5 cas drugbank:DB01880 drugbank hmdb:HMDB0001964 hmdb kegg.compound:C01481 kegg.compound metacyc.compound:CPD-8098 metacyc.compound pubmed:19812218 pubmed pubmed:19952409 pubmed pubmed:24088646 pubmed pubmed:24138287 pubmed pubmed:24206679 pubmed reaxys:2210884 reaxys (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid IUPAC (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid iupac 3,4-Dihydroxycinnamic acid kegg.compound Caffeate kegg.compound Caffeic acid kegg.compound cis-Caffeic acid kegg.compound A <i>myo</i>-inositol hexakisphosphate in which each hydroxy group of <i>myo</i>-inositol is monophosphorylated. CHEBI:10603 CHEBI:11366 CHEBI:12829 CHEBI:12832 CHEBI:19200 cas:83-86-3 drugcentral:3465 kegg.compound:C01204 metacyc.compound:HEXAKISPHOSPHATE pubmed:11217149 pubmed:11545369 pubmed:12070948 pubmed:12162428 pubmed:12816787 pubmed:12949395 pubmed:15325752 pubmed:15743020 pubmed:15918884 pubmed:15952339 pubmed:15998131 pubmed:16438310 pubmed:17162330 pubmed:18536177 pubmed:19331859 pubmed:21292245 pubmed:22023391 pubmed:6095072 reaxys:2201952 wikipedia.en:Phytic_acid myo-Inositol hexakisphosphate myo-inositol hexakis(dihydrogen phosphate) phytate chebi_ontology 1D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate 1D-myo-Inositol hexakisphosphate D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate Inosithexaphosphorsaeure Phytate Phytic acid Phytine Saeure des phytins acide fytique acido fitico acidum fyticum myo-Inositol hexakisphosphate myo-inositol 1,2,3,4,5,6-hexakisphosphate myo-inositol hexakis(dihydrogen phosphate) CHEBI:17401 myo-inositol hexakisphosphate 0 C6H18O24P6 IMQLKJBTEOYOSI-GPIVLXJGSA-N 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- 660.03 659.86137 O=P(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 cas:83-86-3 cas drugcentral:3465 drugcentral kegg.compound:C01204 kegg.compound metacyc.compound:HEXAKISPHOSPHATE metacyc.compound pubmed:11217149 pubmed pubmed:11545369 pubmed pubmed:12070948 pubmed pubmed:12162428 pubmed pubmed:12816787 pubmed pubmed:12949395 pubmed pubmed:15325752 pubmed pubmed:15743020 pubmed pubmed:15918884 pubmed pubmed:15952339 pubmed pubmed:15998131 pubmed pubmed:16438310 pubmed pubmed:17162330 pubmed pubmed:18536177 pubmed pubmed:19331859 pubmed pubmed:21292245 pubmed pubmed:22023391 pubmed pubmed:6095072 pubmed reaxys:2201952 reaxys wikipedia.en:Phytic_acid wikipedia.en myo-Inositol hexakisphosphate KEGG_COMPOUND myo-inositol hexakis(dihydrogen phosphate) IUPAC 1D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate kegg.compound 1D-myo-Inositol hexakisphosphate kegg.compound D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate kegg.compound Inosithexaphosphorsaeure chemidplus Phytate kegg.compound Phytic acid kegg.compound Phytine chemidplus Saeure des phytins chemidplus acide fytique chemidplus acido fitico chemidplus acidum fyticum chemidplus myo-Inositol hexakisphosphate kegg.compound myo-inositol 1,2,3,4,5,6-hexakisphosphate chebi myo-inositol hexakis(dihydrogen phosphate) iupac 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. CHEBI:14041 CHEBI:23435 CHEBI:3979 CHEBI:48820 CHEBI:60496 cas:68-19-9 drugbank:DB00115 gmelin:249901 gmelin:457955 kegg.compound:C02823 kegg.drug:D00166 knapsack:C00001534 pdb-ccd:CNC pubmed:29286160 Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-cyanocobamide Cyanocob(III)alamin cyanocob(III)alamin chebi_ontology CN-Cbl CO-CYANOCOBALAMIN Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-cyanocobamide Cyanocob(III)alamin Dicopac Vitamin B12 complex cyanocob(III)alamin cyanocobalamin cyanocobalamin (b12) vitamin B-12 CHEBI:17439 cyanocob(III)alamin 0 C63H88CoN14O14P RMRCNWBMXRMIRW-WZHZPDAFSA-L 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 1355.388 1354.5674 [H][C@]12[C@H](CC(N)=O)[C@@]3(C)CCC(=O)NC[C@@]([H])(C)OP(=O)([O-])O[C@H]4[C@@H](O)[C@H](O[C@@H]4CO)n4c[n+](c5cc(C)c(C)cc54)[Co-3]456([C]#N)[N]1C3=C(C)C1=[N+]4C(=CC3=[N+]5C(=C(C)C4=[N+]6[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O cas:68-19-9 cas drugbank:DB00115 drugbank gmelin:249901 gmelin gmelin:457955 gmelin kegg.compound:C02823 kegg.compound kegg.drug:D00166 kegg.drug knapsack:C00001534 knapsack pdb-ccd:CNC pdb-ccd pubmed:29286160 pubmed Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-cyanocobamide IUPAC Cyanocob(III)alamin KEGG_COMPOUND cyanocob(III)alamin IUPAC cyanocob(III)alamin UniProt CN-Cbl iubmb CO-CYANOCOBALAMIN pdb-ccd Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-cyanocobamide iupac Cyanocob(III)alamin kegg.compound Dicopac kegg.compound Vitamin B12 complex kegg.compound cyanocob(III)alamin iupac cyanocob(III)alamin uniprot_ft cyanocobalamin kegg.drug vitamin B-12 iubmb A monocarboxylic acid that is phenylacetic acid in which the hydrogen at position 3 on the benzene ring is replaced by a hydroxy group. CHEBI:11833 CHEBI:1550 CHEBI:20076 CHEBI:39897 cas:621-37-4 hmdb:HMDB0000440 kegg.compound:C05593 metacyc.compound:3-HYDROXYPHENYLACETATE patent:US5639643 pdb-ccd:3HP pubmed:19083460 pubmed:20579527 pubmed:22919580 pubmed:23319439 pubmed:24287915 pubmed:5350345 pubmed:7264927 reaxys:2086506 (3-hydroxyphenyl)acetic acid chebi_ontology (3-hydroxyphenyl)acetic acid (m-hydroxyphenyl)acetic acid 3-Hydroxyphenylacetic acid 3-hydroxybenzeneacetic acid m-hydroxyphenylacetic acid CHEBI:17445 3-hydroxyphenylacetic acid 0 C8H8O3 FVMDYYGIDFPZAX-UHFFFAOYSA-N InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) 152.149 152.04734 O=C(O)Cc1cccc(O)c1 cas:621-37-4 cas hmdb:HMDB0000440 hmdb kegg.compound:C05593 kegg.compound metacyc.compound:3-HYDROXYPHENYLACETATE metacyc.compound patent:US5639643 patent pdb-ccd:3HP pdb-ccd pubmed:19083460 pubmed pubmed:20579527 pubmed pubmed:22919580 pubmed pubmed:23319439 pubmed pubmed:24287915 pubmed pubmed:5350345 pubmed pubmed:7264927 pubmed reaxys:2086506 reaxys (3-hydroxyphenyl)acetic acid IUPAC (3-hydroxyphenyl)acetic acid iupac (m-hydroxyphenyl)acetic acid chemidplus 3-Hydroxyphenylacetic acid kegg.compound 3-hydroxybenzeneacetic acid chemidplus m-hydroxyphenylacetic acid chemidplus A monoterpenoid consisting of two prenyl units linked head-to-tail and functionalised with a hydroxy group at its tail end. CHEBI:14297 CHEBI:24219 CHEBI:5329 beilstein:1722456 bpdb:2374 cas:106-24-1 gmelin:185248 kegg.compound:C01500 knapsack:C00000845 lipidmaps:LMPR0102010016 pubmed:18824010 pubmed:20573166 pubmed:23102596 pubmed:23108028 pubmed:23168261 pubmed:23200656 pubmed:23399806 pubmed:23415329 pubmed:23499697 pubmed:23510343 vsdb:2374 wikipedia.en:Geraniol (2E)-3,7-dimethylocta-2,6-dien-1-ol chebi_ontology (2E)-3,7-dimethyl-2,6-octadien-1-ol (2E)-3,7-dimethylocta-2,6-dien-1-ol (2E)-geraniol (E)-3,7-dimethyl-2,6-octadien-1-ol (E)-geraniol (E)-nerol 2-trans-3,7-Dimethyl-2,6-octadien-1-ol 3,7-dimethyl-trans-2,6-octadien-1-ol Geraniol geranyl alcohol lemonol t-geraniol trans-3,7-dimethyl-2,6-octadien-1-ol trans-geraniol CHEBI:17447 geraniol 0 C10H18O GLZPCOQZEFWAFX-JXMROGBWSA-N InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+ 154.253 154.13577 CC(C)=CCC/C(C)=C/CO beilstein:1722456 beilstein bpdb:2374 bpdb cas:106-24-1 cas gmelin:185248 gmelin kegg.compound:C01500 kegg.compound knapsack:C00000845 knapsack lipidmaps:LMPR0102010016 lipidmaps pubmed:18824010 pubmed pubmed:20573166 pubmed pubmed:23102596 pubmed pubmed:23108028 pubmed pubmed:23168261 pubmed pubmed:23200656 pubmed pubmed:23399806 pubmed pubmed:23415329 pubmed pubmed:23499697 pubmed pubmed:23510343 pubmed vsdb:2374 vsdb wikipedia.en:Geraniol wikipedia.en (2E)-3,7-dimethylocta-2,6-dien-1-ol IUPAC (2E)-3,7-dimethyl-2,6-octadien-1-ol nist (2E)-3,7-dimethylocta-2,6-dien-1-ol iupac (2E)-geraniol uniprot_ft (E)-3,7-dimethyl-2,6-octadien-1-ol nist (E)-geraniol chemidplus (E)-nerol chemidplus 2-trans-3,7-Dimethyl-2,6-octadien-1-ol chemidplus 3,7-dimethyl-trans-2,6-octadien-1-ol chemidplus Geraniol kegg.compound geranyl alcohol chemidplus lemonol chemidplus t-geraniol nist trans-3,7-dimethyl-2,6-octadien-1-ol chemidplus trans-geraniol chemidplus A hydroxycoumarin that is umbelliferone bearing a methoxy substituent at position 6. CHEBI:15067 CHEBI:210840 CHEBI:26611 CHEBI:9057 cas:92-61-5 kegg.compound:C01752 knapsack:C00002499 lincs.smallmolecule:LSM-6694 pubmed:20686865 pubmed:21078410 pubmed:21163341 pubmed:21383663 pubmed:21417386 pubmed:21544717 pubmed:21598418 pubmed:21604276 pubmed:21605187 pubmed:21657075 pubmed:21751840 reaxys:156296 7-hydroxy-6-methoxy-2H-chromen-2-one chebi_ontology 6-Methoxy-7-hydroxycoumarin 6-Methylesculetin 6-O-Methylesculetin 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one 7-hydroxy-6-methoxy-2H-chromen-2-one 7-hydroxy-6-methoxycoumarin Scopoletin scopoletin CHEBI:17488 scopoletin 0 C10H8O4 RODXRVNMMDRFIK-UHFFFAOYSA-N InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3 192.17 192.04226 COc1cc2ccc(=O)oc2cc1O cas:92-61-5 cas kegg.compound:C01752 kegg.compound knapsack:C00002499 knapsack lincs.smallmolecule:LSM-6694 lincs.smallmolecule pubmed:20686865 pubmed pubmed:21078410 pubmed pubmed:21163341 pubmed pubmed:21383663 pubmed pubmed:21417386 pubmed pubmed:21544717 pubmed pubmed:21598418 pubmed pubmed:21604276 pubmed pubmed:21605187 pubmed pubmed:21657075 pubmed pubmed:21751840 pubmed reaxys:156296 reaxys 7-hydroxy-6-methoxy-2H-chromen-2-one IUPAC 6-Methoxy-7-hydroxycoumarin chemidplus 6-Methylesculetin chemidplus 6-O-Methylesculetin chemidplus 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one chemidplus 7-hydroxy-6-methoxy-2H-chromen-2-one iupac 7-hydroxy-6-methoxycoumarin chebi Scopoletin kegg.compound scopoletin uniprot_ft 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. cas:97914-20-0 chemspider:30776736 hmdb:HMDB0029179 pubmed:12654472 pubmed:17996190 pubmed:18231630 pubmed:22397837 pubmed:24573487 pubmed:26264887 pubmed:9929521 (2R,3R)-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol chebi_ontology (2R,3R)-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol (2R,3R)-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol (2R,3R)-3,4-dihydro-2-(3-hydroxy-4-methoxyphenyl)-2H-1-benzopyran-3,5,7-triol (2R-cis)-3,4-dihydro-2-(3-hydroxy-4-methoxyphenyl)-2H-1-benzopyran-3,5,7-triol 4'-O-methyl-epicatechin 4'-O-methylepicatechin 4'-methylepicatechin CHEBI:174910 4'-O-methyl-(-)-epicatechin 0 C16H16O6 ZHDMPVIDHWJGTN-CZUORRHYSA-N 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 304.298 304.09469 [H][C@]1(c2ccc(OC)c(O)c2)Oc2cc(O)cc(O)c2C[C@H]1O cas:97914-20-0 cas chemspider:30776736 chemspider hmdb:HMDB0029179 hmdb pubmed:12654472 pubmed pubmed:17996190 pubmed pubmed:18231630 pubmed pubmed:22397837 pubmed pubmed:24573487 pubmed pubmed:26264887 pubmed pubmed:9929521 pubmed (2R,3R)-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol IUPAC (2R,3R)-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol iupac (2R,3R)-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol iupac (2R,3R)-3,4-dihydro-2-(3-hydroxy-4-methoxyphenyl)-2H-1-benzopyran-3,5,7-triol chebi (2R-cis)-3,4-dihydro-2-(3-hydroxy-4-methoxyphenyl)-2H-1-benzopyran-3,5,7-triol chebi 4'-O-methyl-epicatechin chemidplus 4'-O-methylepicatechin chebi 4'-methylepicatechin chemidplus A carbohydrate that is an acyclic polyol having the general formula HOCH<small>₂</small>[CH(OH)]<small>_<em>n</em></small>CH<small>₂</small>OH (formally derivable from an aldose by reduction of the carbonyl group). CHEBI:13754 CHEBI:22298 CHEBI:2556 kegg.compound:C00717 wikipedia.en:Glycerin chebi_ontology Alditol Glycitol Sugar alcohol alditol alditols CHEBI:17522 alditol 0 (CH2O)n.C2H6O2 PEDCQBHIVMGVHV-UHFFFAOYSA-N InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2 92.094 92.04734 OCC(O)CO kegg.compound:C00717 kegg.compound wikipedia.en:Glycerin wikipedia.en Alditol kegg.compound Glycitol kegg.compound Sugar alcohol kegg.compound alditol uniprot_ft alditols chebi cas:1166-52-5 chemspider:13777 hmdb:HMDB0038720 dodecyl 3,4,5-trihydroxybenzoate chebi_ontology dodecyl 3,4,5-trihydroxybenzoate CHEBI:175304 Dodecyl gallate 0 C19H30O5 RPWFJAMTCNSJKK-UHFFFAOYSA-N 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 338.444 338.20932 CCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1 cas:1166-52-5 cas chemspider:13777 chemspider hmdb:HMDB0038720 hmdb dodecyl 3,4,5-trihydroxybenzoate SUBMITTER dodecyl 3,4,5-trihydroxybenzoate submitter The six-membered ring form of <small>L</small>-arabinose. CHEBI:21232 CHEBI:6181 cas:87-72-9 glytoucan:G88980IR gmelin:82843 kegg.compound:C00259 pubmed:1177062 pubmed:17336832 pubmed:19913595 pubmed:28785254 reaxys:1680037 L-Arabinopyranose L-Arabinose L-arabinopyranose chebi_ontology L-Arabinopyranose L-Arabinose L-arabinopyranose L-arabinose CHEBI:17535 L-arabinopyranose 0 C5H10O5 SRBFZHDQGSBBOR-HWQSCIPKSA-N InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5?/m0/s1 150.13 150.05282 OC1OC[C@H](O)[C@H](O)[C@H]1O WURCS=2.0/1,1,0/[a211h-1x_1-5]/1/ cas:87-72-9 cas glytoucan:G88980IR glytoucan gmelin:82843 gmelin kegg.compound:C00259 kegg.compound pubmed:1177062 pubmed pubmed:17336832 pubmed pubmed:19913595 pubmed pubmed:28785254 pubmed reaxys:1680037 reaxys L-Arabinopyranose KEGG_COMPOUND L-Arabinose KEGG_COMPOUND L-arabinopyranose IUPAC L-Arabinopyranose kegg.compound L-Arabinose kegg.compound L-arabinopyranose iupac L-arabinose uniprot_ft A linear copolymer macromolecule composed of homopolymeric blocks of 1→4-linked β-<small>D</small>-mannuronic acid and α-<small>L</small>-guluronic acid residues, covalently linked together in different sequences or blocks. CHEBI:11097 CHEBI:18823 CHEBI:22308 CHEBI:271 beilstein:8192143 cas:9005-32-7 kegg.compound:C01768 kegg.drug:D02324 kegg.glycan:G10593 pubmed:25449544 wikipedia.en:Alginic_acid chebi_ontology (Alginate)n (Alginate)n+1 Alginate Alginic acid Norgine alginic acid CHEBI:17548 alginic acid 0 (C6H8O6)n.H2O AEMOLEFTQBMNLQ-QTWKXLRFSA-N InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3-,4?,6+/m0/s1 194.139 194.04265 [H]O[C@@H]1C(C(=O)O)O[C@@H](O)[C@@H](O)[C@H]1O WURCS=2.0/1,1,0/[a112xA-1u_1-5]/1/ beilstein:8192143 beilstein cas:9005-32-7 cas kegg.compound:C01768 kegg.compound kegg.drug:D02324 kegg.drug kegg.glycan:G10593 kegg.glycan pubmed:25449544 pubmed wikipedia.en:Alginic_acid wikipedia.en (Alginate)n kegg.compound (Alginate)n+1 kegg.compound Alginate kegg.compound Alginic acid kegg.compound Norgine chemidplus alginic acid chemidplus A member of the class of pterocarpans that is (6a<i>R</i>,11a<i>R</i>)-pterocarpan substituted by hydroxy groups at positions 3 and 9 and a prenyl group at position 10. CHEBI:14774 CHEBI:25948 CHEBI:8044 cas:13401-40-6 cas:37831-70-2 hmdb:HMDB0033669 kegg.compound:C05230 kegg.compound:C10514 knapsack:C00002558 knapsack:C00002559 lipidmaps:LMPK12070011 pubmed:8277323 reaxys:4820124 (6aR,11aR)-10-(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol chebi_ontology (-)-Phaseollidin (6aR,11aR)-10-(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol Phaseollidin phaseollidin CHEBI:17556 phaseollidin 0 C20H20O4 OFWYIUYVHYPQNX-JXFKEZNVSA-N 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 324.376 324.13616 [H][C@@]12COc3cc(O)ccc3[C@]1([H])Oc1c2ccc(O)c1CC=C(C)C cas:13401-40-6 cas cas:37831-70-2 cas hmdb:HMDB0033669 hmdb kegg.compound:C05230 kegg.compound kegg.compound:C10514 kegg.compound knapsack:C00002558 knapsack knapsack:C00002559 knapsack lipidmaps:LMPK12070011 lipidmaps pubmed:8277323 pubmed reaxys:4820124 reaxys (6aR,11aR)-10-(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol IUPAC (-)-Phaseollidin kegg.compound (6aR,11aR)-10-(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol iupac Phaseollidin kegg.compound phaseollidin uniprot_ft A quercetin <em>O</em>-glycoside that is quercetin substituted by a α-<small>L</small>-rhamnosyl moiety at position 3 via a glycosidic linkage. CHEBI:132834 CHEBI:14996 CHEBI:26485 CHEBI:8705 cas:522-12-3 hmdb:HMDB0033751 kegg.compound:C01750 knapsack:C00005374 lipidmaps:LMPK12112171 metacyc.compound:QUERCITRIN pubmed:10963295 pubmed:11714358 pubmed:11816040 pubmed:12008093 pubmed:15388977 pubmed:15725651 pubmed:16806328 pubmed:17366733 pubmed:19928818 pubmed:21834636 pubmed:22327179 pubmed:22379948 pubmed:23138875 pubmed:23291772 reaxys:68135 wikipedia.en:Quercitrin 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside chebi_ontology 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside 3-((6-Deoxy-alpha-L-mannopyranosyl)-oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one Quercetin 3-L-rhamnoside Quercetin 3-O-alpha-L-rhamnopyranoside Quercetin 3-O-rhamnoside Quercimelin Quercitrin Quercitronic acid Quercitroside luteolin 6-deoxy-alpha-L-mannopyranoside quercetin 3-O-alpha-L-rhamnopyranoside quercetin-3-L-rhamnoside CHEBI:17558 quercitrin 0 C21H20O11 OXGUCUVFOIWWQJ-HQBVPOQASA-N 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 448.38 448.10056 C[C@@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H](O)[C@H]1O cas:522-12-3 cas hmdb:HMDB0033751 hmdb kegg.compound:C01750 kegg.compound knapsack:C00005374 knapsack lipidmaps:LMPK12112171 lipidmaps metacyc.compound:QUERCITRIN metacyc.compound pubmed:10963295 pubmed pubmed:11714358 pubmed pubmed:11816040 pubmed pubmed:12008093 pubmed pubmed:15388977 pubmed pubmed:15725651 pubmed pubmed:16806328 pubmed pubmed:17366733 pubmed pubmed:19928818 pubmed pubmed:21834636 pubmed pubmed:22327179 pubmed pubmed:22379948 pubmed pubmed:23138875 pubmed pubmed:23291772 pubmed reaxys:68135 reaxys wikipedia.en:Quercitrin wikipedia.en 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside IUPAC 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside iupac 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside chemidplus 3-((6-Deoxy-alpha-L-mannopyranosyl)-oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one chemidplus Quercetin 3-L-rhamnoside kegg.compound Quercetin 3-O-alpha-L-rhamnopyranoside kegg.compound Quercetin 3-O-rhamnoside chebi Quercimelin hmdb Quercitrin kegg.compound Quercitronic acid hmdb Quercitroside hmdb luteolin 6-deoxy-alpha-L-mannopyranoside chebi quercetin 3-O-alpha-L-rhamnopyranoside chebi quercetin-3-L-rhamnoside chebi 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. CHEBI:13903 CHEBI:22876 CHEBI:3105 cas:491-80-5 hmdb:HMDB0002338 kegg.compound:C00814 knapsack:C00002510 lipidmaps:LMPK12050229 metacyc.compound:BIOCHANIN-A pdb-ccd:QSO pubmed:11348577 pubmed:11931850 pubmed:15277096 pubmed:18060767 pubmed:20590565 pubmed:23406166 pubmed:23649249 pubmed:23948065 pubmed:24129051 pubmed:24201306 pubmed:28166217 pubmed:8947298 reaxys:278107 wikipedia.en:Biochanin_A 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one chebi_ontology 4'-methylgenistein 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one 5,7-dihydroxy-3-p-methoxyphenyl-4H-chromen-4-one 5,7-dihydroxy-4'-methoxyisoflavone Biochanin A olmelin pratensol CHEBI:17574 biochanin A 0 C16H12O5 WUADCCWRTIWANL-UHFFFAOYSA-N 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 284.267 284.06847 COc1ccc(-c2coc3cc(O)cc(O)c3c2=O)cc1 cas:491-80-5 cas hmdb:HMDB0002338 hmdb kegg.compound:C00814 kegg.compound knapsack:C00002510 knapsack lipidmaps:LMPK12050229 lipidmaps metacyc.compound:BIOCHANIN-A metacyc.compound pdb-ccd:QSO pdb-ccd pubmed:11348577 pubmed pubmed:11931850 pubmed pubmed:15277096 pubmed pubmed:18060767 pubmed pubmed:20590565 pubmed pubmed:23406166 pubmed pubmed:23649249 pubmed pubmed:23948065 pubmed pubmed:24129051 pubmed pubmed:24201306 pubmed pubmed:28166217 pubmed pubmed:8947298 pubmed reaxys:278107 reaxys wikipedia.en:Biochanin_A wikipedia.en 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one IUPAC 4'-methylgenistein chemidplus 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one chemidplus 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one iupac 5,7-dihydroxy-3-p-methoxyphenyl-4H-chromen-4-one chemidplus 5,7-dihydroxy-4'-methoxyisoflavone chemidplus Biochanin A kegg.compound olmelin chebi pratensol lipidmaps A cyclic carotene obtained by dimerisation of <i>all</i>-<i>trans</i>-retinol. A strongly-coloured red-orange pigment abundant in plants and fruit and the most active and important provitamin A carotenoid. CHEBI:10355 CHEBI:12392 CHEBI:22834 CHEBI:40987 cas:7235-40-7 drugcentral:345 hmdb:HMDB0000561 kegg.compound:C02094 kegg.drug:D03101 knapsack:C00000919 lipidmaps:LMPR01070000 lipidmaps:LMPR01070001 metacyc.compound:CPD1F-129 pdb-ccd:BCR pubmed:11171227 pubmed:11182771 pubmed:11332447 pubmed:11359610 pubmed:11382814 pubmed:11567548 pubmed:11677037 pubmed:11714348 pubmed:11962062 pubmed:12081834 pubmed:12891827 pubmed:14658721 pubmed:14764912 pubmed:14976384 pubmed:14997360 pubmed:15113067 pubmed:15333155 pubmed:15695449 pubmed:15789045 pubmed:15909543 pubmed:15949680 pubmed:15949683 pubmed:16036331 pubmed:16087476 pubmed:16338959 pubmed:16563447 pubmed:17004738 pubmed:17625873 pubmed:17708644 pubmed:17851775 pubmed:18429004 pubmed:18766464 pubmed:18767554 pubmed:18794175 pubmed:19480350 pubmed:19574250 pubmed:19669835 pubmed:19703237 pubmed:19852884 pubmed:19888275 pubmed:19896667 pubmed:19937581 pubmed:20074992 pubmed:20515074 pubmed:22079732 pubmed:22309480 pubmed:22428124 pubmed:22489215 pubmed:22534340 pubmed:22575730 reaxys:1917416 wikipedia.en:Beta_Carotene beta,beta-carotene chebi_ontology 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) BETA-CAROTENE all-trans-beta-carotene beta,beta-carotene beta-Carotene beta-Karotin CHEBI:17579 beta-carotene 0 C40H56 OENHQHLEOONYIE-JLTXGRSLSA-N 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+ 536.888 536.4382 CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)C(C)(C)CCC1 cas:7235-40-7 cas drugcentral:345 drugcentral hmdb:HMDB0000561 hmdb kegg.compound:C02094 kegg.compound kegg.drug:D03101 kegg.drug knapsack:C00000919 knapsack lipidmaps:LMPR01070000 lipidmaps lipidmaps:LMPR01070001 lipidmaps metacyc.compound:CPD1F-129 metacyc.compound pdb-ccd:BCR pdb-ccd pubmed:11171227 pubmed pubmed:11182771 pubmed pubmed:11332447 pubmed pubmed:11359610 pubmed pubmed:11382814 pubmed pubmed:11567548 pubmed pubmed:11677037 pubmed pubmed:11714348 pubmed pubmed:11962062 pubmed pubmed:12081834 pubmed pubmed:12891827 pubmed pubmed:14658721 pubmed pubmed:14764912 pubmed pubmed:14976384 pubmed pubmed:14997360 pubmed pubmed:15113067 pubmed pubmed:15333155 pubmed pubmed:15695449 pubmed pubmed:15789045 pubmed pubmed:15909543 pubmed pubmed:15949680 pubmed pubmed:15949683 pubmed pubmed:16036331 pubmed pubmed:16087476 pubmed pubmed:16338959 pubmed pubmed:16563447 pubmed pubmed:17004738 pubmed pubmed:17625873 pubmed pubmed:17708644 pubmed pubmed:17851775 pubmed pubmed:18429004 pubmed pubmed:18766464 pubmed pubmed:18767554 pubmed pubmed:18794175 pubmed pubmed:19480350 pubmed pubmed:19574250 pubmed pubmed:19669835 pubmed pubmed:19703237 pubmed pubmed:19852884 pubmed pubmed:19888275 pubmed pubmed:19896667 pubmed pubmed:19937581 pubmed pubmed:20074992 pubmed pubmed:20515074 pubmed pubmed:22079732 pubmed pubmed:22309480 pubmed pubmed:22428124 pubmed pubmed:22489215 pubmed pubmed:22534340 pubmed pubmed:22575730 pubmed reaxys:1917416 reaxys wikipedia.en:Beta_Carotene wikipedia.en beta,beta-carotene IUPAC 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) chebi BETA-CAROTENE pdb-ccd all-trans-beta-carotene nist all-trans-beta-carotene uniprot_ft beta,beta-carotene iupac beta-Carotene kegg.compound beta-Karotin chebi A benzenediol comprising benzene core carrying two hydroxy substituents <em>para</em> to each other. CHEBI:14416 CHEBI:24645 CHEBI:5793 cas:123-31-9 drugcentral:3282 gmelin:2742 hmdb:HMDB0002434 kegg.compound:C00530 kegg.compound:C15603 kegg.drug:D00073 knapsack:C00002656 metacyc.compound:HYDROQUINONE ppdb:1503 pubmed:11170505 pubmed:12213471 pubmed:1395635 pubmed:15618234 pubmed:15894107 pubmed:1899343 pubmed:19148301 pubmed:24407054 pubmed:24858384 pubmed:25586344 reaxys:605970 umbbd.compound:c0091 wikipedia.en:Hydroquinone Benzene-1,4-diol benzene-1,4-diol chebi_ontology 1,4-Benzenediol 1,4-Dihydroxybenzene 4-Hydroxyphenol Benzene-1,4-diol Eldoquin Hydroquinone Quinol benzene-1,4-diol hydroquinone p-Benzenediol p-Hydroquinone p-hydroxyphenol CHEBI:17594 hydroquinone 0 C6H6O2 QIGBRXMKCJKVMJ-UHFFFAOYSA-N InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H 110.112 110.03678 Oc1ccc(O)cc1 cas:123-31-9 cas drugcentral:3282 drugcentral gmelin:2742 gmelin hmdb:HMDB0002434 hmdb kegg.compound:C00530 kegg.compound kegg.compound:C15603 kegg.compound kegg.drug:D00073 kegg.drug knapsack:C00002656 knapsack metacyc.compound:HYDROQUINONE metacyc.compound ppdb:1503 ppdb pubmed:11170505 pubmed pubmed:12213471 pubmed pubmed:1395635 pubmed pubmed:15618234 pubmed pubmed:15894107 pubmed pubmed:1899343 pubmed pubmed:19148301 pubmed pubmed:24407054 pubmed pubmed:24858384 pubmed pubmed:25586344 pubmed reaxys:605970 reaxys umbbd.compound:c0091 umbbd.compound wikipedia.en:Hydroquinone wikipedia.en Benzene-1,4-diol KEGG_COMPOUND benzene-1,4-diol IUPAC 1,4-Benzenediol kegg.compound 1,4-Dihydroxybenzene kegg.compound 4-Hydroxyphenol kegg.compound Benzene-1,4-diol kegg.compound Eldoquin chemidplus Hydroquinone kegg.compound Quinol kegg.compound benzene-1,4-diol iupac hydroquinone uniprot_ft p-Benzenediol kegg.compound p-Hydroquinone kegg.compound p-hydroxyphenol nist A hydroxybenzaldehyde that is benzaldehyde substituted with a hydroxy group at position C-4. CHEBI:12002 CHEBI:1857 CHEBI:20396 CHEBI:43009 cas:123-08-0 drugbank:DB03560 gmelin:82654 hmdb:HMDB0011718 kegg.compound:C00633 knapsack:C00002657 metacyc.compound:4-HYDROXYBENZALDEHYDE pdb-ccd:HBA pubmed:21542597 pubmed:22770225 pubmed:3593236 reaxys:471352 umbbd.compound:c0285 wikipedia.en:4-Hydroxybenzaldehyde 4-Hydroxybenzaldehyde 4-hydroxybenzaldehyde chebi_ontology 4-Hydroxybenzaldehyde 4-formylphenol 4-hydroxybenzaldehyde P-HYDROXYBENZALDEHYDE p-Hydroxybenzaldehyde p-formylphenol CHEBI:17597 4-hydroxybenzaldehyde 0 C7H6O2 RGHHSNMVTDWUBI-UHFFFAOYSA-N InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H 122.123 122.03678 [H]C(=O)c1ccc(O)cc1 cas:123-08-0 cas drugbank:DB03560 drugbank gmelin:82654 gmelin hmdb:HMDB0011718 hmdb kegg.compound:C00633 kegg.compound knapsack:C00002657 knapsack metacyc.compound:4-HYDROXYBENZALDEHYDE metacyc.compound pdb-ccd:HBA pdb-ccd pubmed:21542597 pubmed pubmed:22770225 pubmed pubmed:3593236 pubmed reaxys:471352 reaxys umbbd.compound:c0285 umbbd.compound wikipedia.en:4-Hydroxybenzaldehyde wikipedia.en 4-Hydroxybenzaldehyde KEGG_COMPOUND 4-hydroxybenzaldehyde IUPAC 4-Hydroxybenzaldehyde kegg.compound 4-formylphenol chemidplus 4-hydroxybenzaldehyde iupac 4-hydroxybenzaldehyde uniprot_ft P-HYDROXYBENZALDEHYDE pdb-ccd p-Hydroxybenzaldehyde kegg.compound p-formylphenol nist A ferulic acid consisting of <i>trans</i>-cinnamic acid bearing methoxy and hydroxy substituents at positions 3 and 4 respectively on the phenyl ring. CHEBI:14260 CHEBI:24030 CHEBI:29100 CHEBI:42445 CHEBI:5046 cas:537-98-4 hmdb:HMDB0000954 kegg.compound:C01494 knapsack:C00002743 metacyc.compound:FERULIC-ACID pdb-ccd:FER pubmed:11041377 pubmed:11982438 pubmed:12529986 pubmed:15162367 pubmed:15309442 pubmed:16011737 pubmed:16185284 pubmed:18582080 pubmed:18651237 pubmed:18707110 pubmed:18795822 pubmed:19594750 pubmed:8821508 reaxys:1570363 wikipedia.en:Ferulic_Acid (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid chebi_ontology (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid (E)-4'-hydroxy-3'-methoxycinnamic acid (E)-4-Hydroxy-3-methoxycinnamic acid (E)-Ferulic acid 3-(4-Hydroxy-3-methoxyphenyl)propenoic acid 3-methoxy-4-hydroxy-trans-cinnamic acid 4-Hydroxy-3-methoxycinnamic acid 4-hydroxy-3-methoxycinnamic acid Ferulic acid trans-4-Hydroxy-3-methoxycinnamic acid trans-Ferulic acid CHEBI:17620 ferulic acid trans-ferulic acid 0 C10H10O4 KSEBMYQBYZTDHS-HWKANZROSA-N 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+ 194.186 194.05791 COc1cc(/C=C/C(=O)O)ccc1O cas:537-98-4 cas hmdb:HMDB0000954 hmdb kegg.compound:C01494 kegg.compound knapsack:C00002743 knapsack metacyc.compound:FERULIC-ACID metacyc.compound pdb-ccd:FER pdb-ccd pubmed:11041377 pubmed pubmed:11982438 pubmed pubmed:12529986 pubmed pubmed:15162367 pubmed pubmed:15309442 pubmed pubmed:16011737 pubmed pubmed:16185284 pubmed pubmed:18582080 pubmed pubmed:18651237 pubmed pubmed:18707110 pubmed pubmed:18795822 pubmed pubmed:19594750 pubmed pubmed:8821508 pubmed reaxys:1570363 reaxys wikipedia.en:Ferulic_Acid wikipedia.en (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid IUPAC (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid iupac (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid nist (E)-4'-hydroxy-3'-methoxycinnamic acid nist (E)-4-Hydroxy-3-methoxycinnamic acid hmdb (E)-Ferulic acid chemidplus 3-(4-Hydroxy-3-methoxyphenyl)propenoic acid nist 3-methoxy-4-hydroxy-trans-cinnamic acid chebi 4-Hydroxy-3-methoxycinnamic acid kegg.compound 4-hydroxy-3-methoxycinnamic acid chebi Ferulic acid kegg.compound trans-4-Hydroxy-3-methoxycinnamic acid chemidplus trans-Ferulic acid chemidplus A member of the class of 4'-methoxyisoflavones that is formononetin with a hydroxy group at the 2'position. CHEBI:11401 CHEBI:19268 CHEBI:843 agr:IND93034681 cas:1890-99-9 hmdb:HMDB0031720 kegg.compound:C02920 knapsack:C00000257 lipidmaps:LMPK12050081 metacyc.compound:2-HYDROXYFORMONONETIN pubmed:1912490 pubmed:1915347 pubmed:2306102 pubmed:9525107 pubmed:9790908 reaxys:1292487 7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-chromen-4-one chebi_ontology 2'-Hydroformononetin 2'-Hydroxyformononetin 7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-chromen-4-one Xenognosin B CHEBI:17678 2'-hydroxyformononetin 0 C16H12O5 XKHHKXCBFHUOHM-UHFFFAOYSA-N 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 284.267 284.06847 COc1ccc(-c2coc3cc(O)ccc3c2=O)c(O)c1 agr:IND93034681 agr cas:1890-99-9 cas hmdb:HMDB0031720 hmdb kegg.compound:C02920 kegg.compound knapsack:C00000257 knapsack lipidmaps:LMPK12050081 lipidmaps metacyc.compound:2-HYDROXYFORMONONETIN metacyc.compound pubmed:1912490 pubmed pubmed:1915347 pubmed pubmed:2306102 pubmed pubmed:9525107 pubmed pubmed:9790908 pubmed reaxys:1292487 reaxys 7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-chromen-4-one IUPAC 2'-Hydroformononetin kegg.compound 2'-Hydroxyformononetin kegg.compound 7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-chromen-4-one iupac Xenognosin B lipidmaps 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 <small>L</small>-ascorbic acid and its salt, ionized and oxidized forms. CHEBI:21241 pmc:PMC8088531 pubmed:21885436 pubmed:33916257 pubmed:34064549 wikipedia.en:Vitamin_C chebi_ontology Vitamin C vitamin C vitamer vitamin C vitamers vitamina C vitamine C vitaminum C CHEBI:176783 vitamin C pmc:PMC8088531 pmc pubmed:21885436 pubmed pubmed:33916257 pubmed pubmed:34064549 pubmed wikipedia.en:Vitamin_C wikipedia.en Vitamin C chebi vitamin C vitamer chebi vitamin C vitamers chebi vitamina C chebi vitamine C chebi vitaminum C chebi Any member of a group of vitamers that belong to the chemical structural class called flavins that exhibit biological activity against vitamin B<small>₂</small> deficiency. Symptoms associated with vitamin B<small>₂</small> 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). chebi_ontology vitamin B-2 vitamin B2 vitamins B2 vitamins B2 vitamer vitamins B2 vitamers CHEBI:176838 vitamin B2 vitamin B-2 chebi vitamin B2 chebi vitamins B2 chebi vitamins B2 vitamer chebi vitamins B2 vitamers chebi Any member of a group of vitamers that belong to the chemical structural class called pyridines that exhibit biological activity against vitamin B<small>₃</small> deficiency. Vitamin B<small>₃</small> deficiency causes a condition known as <a href="https://en.wikipedia.org/wiki/Pellagra" target="_blank">pellagra</a> whose symptoms include depression, dermatitis and diarrhea. The vitamers include nicotinic acid and nicotinamide (and their ionized and salt forms). chebi_ontology vitamin B-3 vitamin B3 vitamin B3 vitamer vitamin B3 vitamers vitamins B3 CHEBI:176839 vitamin B3 vitamin B-3 chebi vitamin B3 chebi vitamin B3 vitamer chebi vitamin B3 vitamers chebi vitamins B3 chebi Any member of a group of vitamers that belong to the chemical structural class called pantothenic acids that exhibit biological activity against vitamin B<small>₅</small> deficiency. Deficiency of vitamin B<small>₅</small> is rare due to its widespread distribution in whole grain cereals, legumes and meat. Symptoms associated with vitamin B<small>₅</small> deficiency are difficult to asses since they are subtle and resemble those of other B vitamin deficiencies. The vitamers include (<i>R</i>)-pantothenic acid and its ionized and salt forms. chebi_ontology vitamin B-5 vitamin B5 vitamin B5 vitamer vitamin B5 vitamers vitamins B5 CHEBI:176840 vitamin B5 vitamin B-5 chebi vitamin B5 chebi vitamin B5 vitamer chebi vitamin B5 vitamers chebi vitamins B5 chebi Any member of a group of vitamers that belong to the chemical structural class called biotins that exhibit biological activity against vitamin B<small>₇</small> deficiency. Vitamin B<small>₇</small> 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 B<small>₇</small> 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. chebi_ontology vitamin B-7 vitamin B7 vitamin B7 vitamer vitamin B7 vitamers vitamins B7 CHEBI:176841 vitamin B7 vitamin B-7 chebi vitamin B7 chebi vitamin B7 vitamer chebi vitamin B7 vitamers chebi vitamins B7 chebi Any B-vitamin that exhibits biological activity against vitamin B<small>₉</small> deficiency. Vitamin B<small>₉</small> 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 B<small>₉</small> leads to anemia, a condition in which the body cannot produce sufficient number of red blood cells. Symptoms of vitamin B<small>₉</small> deficiency include fatigue, muscle weakness, and pale skin. chebi_ontology folate vitamer folate vitamers vitamin B-9 vitamin B9 vitamin B9 vitamer vitamin B9 vitamers vitamins B9 CHEBI:176842 vitamin B9 folate vitamer chebi folate vitamers chebi vitamin B-9 chebi vitamin B9 chebi vitamin B9 vitamer chebi vitamin B9 vitamers chebi vitamins B9 chebi Any member of a group of cobalamin vitamers that exhibit biological activity against vitamin B<small>₁₂</small> deficiency. Vitamin B<small>₁₂</small> 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). chebi_ontology vitamin B-12 vitamin B12 vitamin B12 vitamer vitamin B12 vitamers vitamins B12 CHEBI:176843 vitamin B12 vitamin B-12 chebi vitamin B12 chebi vitamin B12 vitamer chebi vitamin B12 vitamers chebi vitamins B12 chebi A glycosylglucose disaccharide, found most notably in milk, that consists of <small>D</small>-galactose and <small>D</small>-glucose fragments bonded through a β-1→4 glycosidic linkage. The glucose fragment can be in either the α- or β-pyranose form, whereas the galactose fragment can only have the β-pyranose form. CHEBI:10296 CHEBI:10380 CHEBI:14497 CHEBI:22460 CHEBI:22760 CHEBI:25005 CHEBI:27755 CHEBI:27968 CHEBI:28577 CHEBI:613009 cas:63-42-3 glygen:G74621DY glytoucan:G74621DY gmelin:882872 kegg.compound:C00243 kegg.drug:D00046 kegg.glycan:G10504 knapsack:C00001136 pubmed:1292745 pubmed:17329833 pubmed:18300214 pubmed:19053747 pubmed:19846069 pubmed:19913595 pubmed:20094999 pubmed:20503067 pubmed:20699559 pubmed:20873837 pubmed:20961532 pubmed:21403918 pubmed:2432147 pubmed:2456994 pubmed:28690131 pubmed:28807538 pubmed:6194884 pubmed:7574700 reaxys:1292745 beta-D-galactopyranosyl-(1->4)-D-glucopyranose chebi_ontology (+)-lactose (Gal)1 (Glc)1 1-beta-D-Galactopyranosyl-4-D-glucopyranose 4-(beta-D-galactosido)-D-glucose 4-O-beta-D-galactopyranosyl-D-glucose D-lactose Galbeta1-4Glc Lac Laktobiose Laktose Milchzucker Milk sugar beta-D-Gal-(1->4)-D-Glc beta-D-Galp-(1->4)-D-Glcp beta-D-galactopyranosyl-(1->4)-D-glucopyranose beta-Gal1,4-Glc lactobiose lactose milk sugar CHEBI:17716 lactose 0 C12H22O11 GUBGYTABKSRVRQ-QKKXKWKRSA-N 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 342.297 342.11621 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 WURCS=2.0/2,2,1/[a2122h-1x_1-5][a2112h-1b_1-5]/1-2/a4-b1 cas:63-42-3 cas glygen:G74621DY glygen glytoucan:G74621DY glytoucan gmelin:882872 gmelin kegg.compound:C00243 kegg.compound kegg.drug:D00046 kegg.drug kegg.glycan:G10504 kegg.glycan knapsack:C00001136 knapsack pubmed:1292745 pubmed pubmed:17329833 pubmed pubmed:18300214 pubmed pubmed:19053747 pubmed pubmed:19846069 pubmed pubmed:19913595 pubmed pubmed:20094999 pubmed pubmed:20503067 pubmed pubmed:20699559 pubmed pubmed:20873837 pubmed pubmed:20961532 pubmed pubmed:21403918 pubmed pubmed:2432147 pubmed pubmed:2456994 pubmed pubmed:28690131 pubmed pubmed:28807538 pubmed pubmed:6194884 pubmed pubmed:7574700 pubmed reaxys:1292745 reaxys beta-D-galactopyranosyl-(1->4)-D-glucopyranose IUPAC (+)-lactose nist (Gal)1 (Glc)1 kegg.glycan 1-beta-D-Galactopyranosyl-4-D-glucopyranose kegg.compound 4-(beta-D-galactosido)-D-glucose nist 4-O-beta-D-galactopyranosyl-D-glucose iupac D-lactose chemidplus Galbeta1-4Glc chebi Lac jcbn Laktobiose chebi Laktose chebi Milchzucker chebi Milk sugar kegg.compound beta-D-Gal-(1->4)-D-Glc kegg.compound beta-D-Galp-(1->4)-D-Glcp iupac beta-D-galactopyranosyl-(1->4)-D-glucopyranose iupac beta-Gal1,4-Glc chebi lactobiose nist lactose uniprot_ft milk sugar nist The amino acid betaine derived from glycine. CHEBI:13895 CHEBI:15264 CHEBI:22858 CHEBI:24370 CHEBI:27128 CHEBI:29050 CHEBI:3073 cas:107-43-7 drugcentral:347 gmelin:26434 hmdb:HMDB0000043 kegg.compound:C00719 kegg.drug:D07523 knapsack:C00007291 metacyc.compound:BETAINE pdb-ccd:BET pubmed:16197300 pubmed:18326594 pubmed:20346934 pubmed:20446114 pubmed:20642826 pubmed:22770225 reaxys:3537113 wikipedia.en:Trimethylglycine ymdb:YMDB01516 (trimethylammonio)acetate chebi_ontology (trimethylammonio)acetate (trimethylammoniumyl)acetate 1-carboxy-N,N,N-trimethylmethanaminium inner salt 2-N,N,N-trimethylammonio acetate Bet Betaine Glycine betaine N,N,N-Trimethylglycine N,N,N-trimethylammonioacetate Trimethylaminoacetate Trimethylammonioacetate abromine acidol glycine betaine trimethylglycine trimethylglycocoll CHEBI:17750 glycine betaine 0 C5H11NO2 KWIUHFFTVRNATP-UHFFFAOYSA-N InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3 117.148 117.07898 C[N+](C)(C)CC(=O)[O-] cas:107-43-7 cas drugcentral:347 drugcentral gmelin:26434 gmelin hmdb:HMDB0000043 hmdb kegg.compound:C00719 kegg.compound kegg.drug:D07523 kegg.drug knapsack:C00007291 knapsack metacyc.compound:BETAINE metacyc.compound pdb-ccd:BET pdb-ccd pubmed:16197300 pubmed pubmed:18326594 pubmed pubmed:20346934 pubmed pubmed:20446114 pubmed pubmed:20642826 pubmed pubmed:22770225 pubmed reaxys:3537113 reaxys wikipedia.en:Trimethylglycine wikipedia.en ymdb:YMDB01516 ymdb (trimethylammonio)acetate IUPAC (trimethylammonio)acetate iupac (trimethylammoniumyl)acetate iupac 1-carboxy-N,N,N-trimethylmethanaminium inner salt nist 2-N,N,N-trimethylammonio acetate chebi Bet chebi Betaine kegg.compound Glycine betaine kegg.compound N,N,N-Trimethylglycine kegg.compound N,N,N-trimethylammonioacetate iupac Trimethylaminoacetate kegg.compound Trimethylammonioacetate kegg.compound abromine chemidplus acidol chebi glycine betaine uniprot_ft trimethylglycine chebi trimethylglycocoll chemidplus A triol with a structure of propane substituted at positions 1, 2 and 3 by hydroxy groups. CHEBI:131422 CHEBI:14334 CHEBI:24351 CHEBI:42998 CHEBI:5448 cas:56-81-5 chemspider:733 drugbank:DB04077 drugcentral:1316 ecmdb:ECMDB00131 foodb.food:FDB000756 gmelin:26279 hmdb:HMDB0000131 kegg.compound:C00116 kegg.drug:D00028 knapsack:C00001163 lincs.smallmolecule:LSM-37180 metacyc.compound:GLYCEROL pdb-ccd:GOL pdb:2AJS pdb:2D03 ppdb:1317 pubmed:11302662 pubmed:11958517 pubmed:11994365 pubmed:12672239 pubmed:12687625 pubmed:12689633 pubmed:12713573 pubmed:14559393 pubmed:14563847 pubmed:15026783 pubmed:15342117 pubmed:15786693 pubmed:15983192 pubmed:16244855 pubmed:16258193 pubmed:16319039 pubmed:16349488 pubmed:16475911 pubmed:16651733 pubmed:16664750 pubmed:16901854 pubmed:17336832 pubmed:17439666 pubmed:17979222 pubmed:19184438 pubmed:19231894 pubmed:19460032 pubmed:19548674 pubmed:19795216 pubmed:19956799 pubmed:22705534 pubmed:23562176 pubmed:23747440 pubmed:24643482 pubmed:24835191 pubmed:25108762 pubmed:558160 pubmed:6299616 pubmed:7031247 pubmed:7392035 reaxys:635685 umbbd.compound:c0066 wikipedia.en:Glycerol ymdb:YMDB00283 propane-1,2,3-triol chebi_ontology 1,2,3-Propanetriol 1,2,3-Trihydroxypropane GLYCEROL Glycerin Glyceritol Glycerol Glyzerin Gro Oelsuess Propanetriol Trihydroxypropane glycerine glycerol glycerolum glycyl alcohol propane-1,2,3-triol CHEBI:17754 glycerol 0 C3H8O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2 92.094 92.04734 OCC(O)CO cas:56-81-5 cas chemspider:733 chemspider drugbank:DB04077 drugbank drugcentral:1316 drugcentral ecmdb:ECMDB00131 ecmdb foodb.food:FDB000756 foodb.food gmelin:26279 gmelin hmdb:HMDB0000131 hmdb kegg.compound:C00116 kegg.compound kegg.drug:D00028 kegg.drug knapsack:C00001163 knapsack lincs.smallmolecule:LSM-37180 lincs.smallmolecule metacyc.compound:GLYCEROL metacyc.compound pdb-ccd:GOL pdb-ccd pdb:2AJS pdb pdb:2D03 pdb ppdb:1317 ppdb pubmed:11302662 pubmed pubmed:11958517 pubmed pubmed:11994365 pubmed pubmed:12672239 pubmed pubmed:12687625 pubmed pubmed:12689633 pubmed pubmed:12713573 pubmed pubmed:14559393 pubmed pubmed:14563847 pubmed pubmed:15026783 pubmed pubmed:15342117 pubmed pubmed:15786693 pubmed pubmed:15983192 pubmed pubmed:16244855 pubmed pubmed:16258193 pubmed pubmed:16319039 pubmed pubmed:16349488 pubmed pubmed:16475911 pubmed pubmed:16651733 pubmed pubmed:16664750 pubmed pubmed:16901854 pubmed pubmed:17336832 pubmed pubmed:17439666 pubmed pubmed:17979222 pubmed pubmed:19184438 pubmed pubmed:19231894 pubmed pubmed:19460032 pubmed pubmed:19548674 pubmed pubmed:19795216 pubmed pubmed:19956799 pubmed pubmed:22705534 pubmed pubmed:23562176 pubmed pubmed:23747440 pubmed pubmed:24643482 pubmed pubmed:24835191 pubmed pubmed:25108762 pubmed pubmed:558160 pubmed pubmed:6299616 pubmed pubmed:7031247 pubmed pubmed:7392035 pubmed reaxys:635685 reaxys umbbd.compound:c0066 umbbd.compound wikipedia.en:Glycerol wikipedia.en ymdb:YMDB00283 ymdb propane-1,2,3-triol IUPAC 1,2,3-Propanetriol kegg.compound 1,2,3-Trihydroxypropane kegg.compound GLYCEROL pdb-ccd Glycerin kegg.compound Glyceritol hmdb Glycerol kegg.compound Glyzerin chebi Gro jcbn Oelsuess chebi Propanetriol hmdb Trihydroxypropane hmdb glycerine chebi glycerol chebi glycerol chemidplus glycerol uniprot_ft glycerolum chemidplus glycyl alcohol nist propane-1,2,3-triol iupac 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. CHEBI:13938 CHEBI:22989 CHEBI:3334 cas:20575-57-9 kegg.compound:C01562 knapsack:C00009389 lipidmaps:LMPK12050056 patent:CN102030735 patent:KR20080079237 patent:WO2009129260 pubmed:11025148 pubmed:16286304 pubmed:16441066 pubmed:17253088 reaxys:1292488 wikipedia.en:Calycosin 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one chebi_ontology 3'-hydroxy-formononetin 7,3'-dihydroxy-4'-methoxyisoflavone 7-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one Calycosin CHEBI:17793 calycosin 0 C16H12O5 ZZAJQOPSWWVMBI-UHFFFAOYSA-N 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 284.267 284.06847 COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1O cas:20575-57-9 cas kegg.compound:C01562 kegg.compound knapsack:C00009389 knapsack lipidmaps:LMPK12050056 lipidmaps patent:CN102030735 patent patent:KR20080079237 patent patent:WO2009129260 patent pubmed:11025148 pubmed pubmed:16286304 pubmed pubmed:16441066 pubmed pubmed:17253088 pubmed reaxys:1292488 reaxys wikipedia.en:Calycosin wikipedia.en 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one IUPAC 3'-hydroxy-formononetin chebi 7,3'-dihydroxy-4'-methoxyisoflavone chebi 7-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one chemidplus 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one chebi 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one iupac Calycosin kegg.compound An α-amino acid that is alanine substituted at position 3 by a hydroxy group. CHEBI:15081 CHEBI:26648 CHEBI:9116 cas:302-84-1 gmelin:26429 kegg.compound:C00716 knapsack:C00001393 reaxys:1721402 wikipedia.en:Serine Serine serine chebi_ontology 2-Amino-3-hydroxypropionic acid 2-amino-3-hydroxypropanoic acid 3-Hydroxyalanine Serin Serine serine CHEBI:17822 serine 0 C3H7NO3 MTCFGRXMJLQNBG-UHFFFAOYSA-N InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7) 105.093 105.04259 NC(CO)C(=O)O cas:302-84-1 cas gmelin:26429 gmelin kegg.compound:C00716 kegg.compound knapsack:C00001393 knapsack reaxys:1721402 reaxys wikipedia.en:Serine wikipedia.en Serine KEGG_COMPOUND serine IUPAC 2-Amino-3-hydroxypropionic acid kegg.compound 2-amino-3-hydroxypropanoic acid iupac 3-Hydroxyalanine kegg.compound Serin chebi Serine kegg.compound serine iupac The (<i>S</i>)-enantiomer of naringenin. CHEBI:14640 CHEBI:25484 CHEBI:25488 CHEBI:44288 CHEBI:7483 cas:480-41-1 drugbank:DB03467 hmdb:HMDB0002670 kegg.compound:C00509 knapsack:C00000982 lipidmaps:LMPK12140001 metacyc.compound:NARINGENIN-CMPD pdb-ccd:NAR pubmed:11093936 pubmed:17664077 reaxys:90699 wikipedia.en:Naringenin (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one chebi_ontology (-)-(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one (-)-(2S)-Naringenin (-)-(2S)-naringenin (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one (2S)-Naringenin (2S)-naringenin (S)-2,3-dihydo-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one 4',5,7-Trihydroxyflavanone 4',5,7-trihydroxyflavanone NARINGENIN Naringenin naringetol pelargidanon salipurpol CHEBI:17846 (S)-naringenin 0 C15H12O5 FTVWIRXFELQLPI-ZDUSSCGKSA-N 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 272.256 272.06847 O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21 cas:480-41-1 cas drugbank:DB03467 drugbank hmdb:HMDB0002670 hmdb kegg.compound:C00509 kegg.compound knapsack:C00000982 knapsack lipidmaps:LMPK12140001 lipidmaps metacyc.compound:NARINGENIN-CMPD metacyc.compound pdb-ccd:NAR pdb-ccd pubmed:11093936 pubmed pubmed:17664077 pubmed reaxys:90699 reaxys wikipedia.en:Naringenin wikipedia.en (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one IUPAC (-)-(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one iubmb (-)-(2S)-Naringenin kegg.compound (-)-(2S)-naringenin iubmb (2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one iupac (2S)-Naringenin kegg.compound (2S)-naringenin uniprot_ft (S)-2,3-dihydo-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one iubmb 4',5,7-Trihydroxyflavanone kegg.compound 4',5,7-trihydroxyflavanone chebi NARINGENIN pdb-ccd Naringenin kegg.compound naringetol hmdb pelargidanon hmdb salipurpol hmdb Any glyceride resulting from the condensation of all three hydroxy groups of glycerol (propane-1,2,3-triol) with fatty acids. CHEBI:15255 CHEBI:27085 CHEBI:9664 kegg.compound:C00422 lipidmaps_class:LMGL0301 pubmed:2474544 triglycerides chebi_ontology Triacylglycerol Triglycerid Triglyceride Triglyzerid a triacylglycerol triacylglycerols triglycerides CHEBI:17855 triglyceride 0 C6H5O6R3 173.1 173.00861 [1*]C(=O)OCC(COC([3*])=O)OC([2*])=O kegg.compound:C00422 kegg.compound lipidmaps_class:LMGL0301 lipidmaps_class pubmed:2474544 pubmed triglycerides IUPAC Triacylglycerol kegg.compound Triglycerid chebi Triglyceride kegg.compound Triglyzerid chebi a triacylglycerol uniprot_ft triacylglycerols lipidmaps triglycerides chebi triglycerides iupac A mononuclear parent hydride consisting of covalently bonded hydrogen and chlorine atoms. CHEBI:13364 CHEBI:24635 CHEBI:5590 cas:7647-01-0 drugcentral:4568 gmelin:322 hmdb:HMDB0002306 kegg.compound:C01327 kegg.drug:D02057 metacyc.compound:HCL pubmed:15823700 pubmed:17492841 pubmed:22804993 reaxys:1098214 wikipedia.en:HCl wikipedia.en:Hydrochloric_acid chlorane chloridohydrogen hydrogen chloride chebi_ontology Chlorwasserstoff HCl Hydrochloride Hydrogen chloride Hydrogenchlorid Wasserstoffchlorid [HCl] chlorane chloridohydrogen chlorure d'hydrogene cloruro de hidrogeno hydrochloric acid hydrogen chloride CHEBI:17883 hydrogen chloride 0 HCl VEXZGXHMUGYJMC-UHFFFAOYSA-N InChI=1S/ClH/h1H 36.461 35.97668 [H]Cl cas:7647-01-0 cas drugcentral:4568 drugcentral gmelin:322 gmelin hmdb:HMDB0002306 hmdb kegg.compound:C01327 kegg.compound kegg.drug:D02057 kegg.drug metacyc.compound:HCL metacyc.compound pubmed:15823700 pubmed pubmed:17492841 pubmed pubmed:22804993 pubmed reaxys:1098214 reaxys wikipedia.en:HCl wikipedia.en wikipedia.en:Hydrochloric_acid wikipedia.en chlorane IUPAC chloridohydrogen IUPAC hydrogen chloride IUPAC Chlorwasserstoff chebi HCl kegg.compound Hydrochloride kegg.compound Hydrogen chloride kegg.compound Hydrogenchlorid chebi Wasserstoffchlorid chebi [HCl] iupac chlorane iupac chloridohydrogen iupac chlorure d'hydrogene chebi cloruro de hidrogeno chebi hydrochloric acid chemidplus hydrogen chloride iupac A retinal in which all four exocyclic double bonds have <i>E</i>- (<i>trans</i>-) geometry. CHEBI:12776 CHEBI:22348 CHEBI:8814 cas:116-31-4 chemspider:553582 foodb.food:FDB030668 hmdb:HMDB0001358 kegg.compound:C00376 lipidmaps:LMPR01090002 metacyc.compound:RETINAL pdb-ccd:RET pubmed:12168520 pubmed:15500295 pubmed:15686550 pubmed:15724104 pubmed:16004575 pubmed:16054134 pubmed:16128572 pubmed:17326003 pubmed:21447403 pubmed:21995425 pubmed:22162152 pubmed:22198730 pubmed:22220722 pubmed:22417174 pubmed:22428905 pubmed:22431612 pubmed:22515697 pubmed:22529810 pubmed:22559266 pubmed:22621924 pubmed:22841964 pubmed:22879987 pubmed:26568132 pubmed:28780307 pubmed:31931077 pubmed:32212312 pubmed:32371567 pubmed:32492112 pubmed:33034385 pubmed:33334878 reaxys:1914183 wikipedia.en:Retinal (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal chebi_ontology (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal E-retinal all-E-retinal all-trans-retinal all-trans-retinaldehyde all-trans-retinene all-trans-vitamin A aldehyde axerophthal retinal retinaldehyde retinene retinene 1 retinyl aldehyde trans-retinal trans-vitamin A aldehyde vitamin A aldehyde vitamin A1 aldehyde CHEBI:17898 all-trans-retinal 0 C20H28O NCYCYZXNIZJOKI-OVSJKPMPSA-N 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+ 284.443 284.21402 [H]C(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C cas:116-31-4 cas chemspider:553582 chemspider foodb.food:FDB030668 foodb.food hmdb:HMDB0001358 hmdb kegg.compound:C00376 kegg.compound lipidmaps:LMPR01090002 lipidmaps metacyc.compound:RETINAL metacyc.compound pdb-ccd:RET pdb-ccd pubmed:12168520 pubmed pubmed:15500295 pubmed pubmed:15686550 pubmed pubmed:15724104 pubmed pubmed:16004575 pubmed pubmed:16054134 pubmed pubmed:16128572 pubmed pubmed:17326003 pubmed pubmed:21447403 pubmed pubmed:21995425 pubmed pubmed:22162152 pubmed pubmed:22198730 pubmed pubmed:22220722 pubmed pubmed:22417174 pubmed pubmed:22428905 pubmed pubmed:22431612 pubmed pubmed:22515697 pubmed pubmed:22529810 pubmed pubmed:22559266 pubmed pubmed:22621924 pubmed pubmed:22841964 pubmed pubmed:22879987 pubmed pubmed:26568132 pubmed pubmed:28780307 pubmed pubmed:31931077 pubmed pubmed:32212312 pubmed pubmed:32371567 pubmed pubmed:32492112 pubmed pubmed:33034385 pubmed pubmed:33334878 pubmed reaxys:1914183 reaxys wikipedia.en:Retinal wikipedia.en (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal IUPAC (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal iupac E-retinal chemidplus all-E-retinal chemidplus all-trans-retinal kegg.compound all-trans-retinal uniprot_ft all-trans-retinaldehyde nist all-trans-retinene kegg.compound all-trans-vitamin A aldehyde kegg.compound axerophthal metacyc.compound retinal kegg.compound retinaldehyde chemidplus retinene kegg.compound retinene 1 chemidplus retinyl aldehyde chemidplus trans-retinal chemidplus trans-vitamin A aldehyde hmdb vitamin A aldehyde kegg.compound vitamin A1 aldehyde chemidplus 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 D<small>₃</small>. CHEBI:13931 CHEBI:19815 CHEBI:3304 CHEBI:46387 cas:19356-17-3 drugbank:DB00146 drugcentral:464 kegg.compound:C01561 lipidmaps:LMST03020246 pdb-ccd:VDY pubmed:16549446 pubmed:18689406 pubmed:22487892 pubmed:22536761 pubmed:23090338 pubmed:23566108 pubmed:9080330 reaxys:4270041 wikipedia.en:Calcifediol (3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol chebi_ontology (3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol (3S,5Z,7E)-9,10-secocholesta-5,7,10-triene-3,25-diol (3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol (5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol 25(OH)D3 25-Hydroxyvitamin D3 25-hydroxycholecalciferol 25-hydroxyvitamin D3 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL Calcidiol Calcifediol Calcifediol anhydrous Rayaldee calcidiol calcifediol calcifediolum CHEBI:17933 calcidiol 0 C27H44O2 JWUBBDSIWDLEOM-DTOXIADCSA-N 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 400.647 400.33413 [H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)(C)O)[C@@]1(C)CCC/C2=CC=C1C[C@@H](O)CCC1=C cas:19356-17-3 cas drugbank:DB00146 drugbank drugcentral:464 drugcentral kegg.compound:C01561 kegg.compound lipidmaps:LMST03020246 lipidmaps pdb-ccd:VDY pdb-ccd pubmed:16549446 pubmed pubmed:18689406 pubmed pubmed:22487892 pubmed pubmed:22536761 pubmed pubmed:23090338 pubmed pubmed:23566108 pubmed pubmed:9080330 pubmed reaxys:4270041 reaxys wikipedia.en:Calcifediol wikipedia.en (3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol IUPAC (3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol iupac (3S,5Z,7E)-9,10-secocholesta-5,7,10-triene-3,25-diol pdb-ccd (3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol chemidplus (5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol jcbn 25(OH)D3 chebi 25-Hydroxyvitamin D3 kegg.compound 25-hydroxycholecalciferol jcbn 25-hydroxyvitamin D3 chebi 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL pdb-ccd Calcidiol kegg.compound Calcifediol kegg.compound Calcifediol anhydrous kegg.compound Rayaldee chebi calcidiol uniprot_ft calcifediol chebi calcifediol who_mednet calcifediolum chebi A taxifolin that has (2<i>R</i>,3<i>R</i>)-configuration. CHEBI:15206 CHEBI:23764 CHEBI:28466 CHEBI:42225 CHEBI:9415 beilstein:93548 cas:480-18-2 drugbank:DB02224 kegg.compound:C01617 knapsack:C00000677 lincs.smallmolecule:LSM-5990 pdb-ccd:DQH wikipedia.en:Taxifolin (2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one chebi_ontology (+)-Dihydroquercetin (+)-Taxifolin (2R,3R)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one (2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one (2R,3R)-dihydroquercetin (2R-trans)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4-benzopyrone Dihydroquercetin Taxifolin trans-Dihydroquercetin CHEBI:17948 (+)-taxifolin 0 C15H12O7 CXQWRCVTCMQVQX-LSDHHAIUSA-N 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 304.254 304.0583 O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O beilstein:93548 beilstein cas:480-18-2 cas drugbank:DB02224 drugbank kegg.compound:C01617 kegg.compound knapsack:C00000677 knapsack lincs.smallmolecule:LSM-5990 lincs.smallmolecule pdb-ccd:DQH pdb-ccd wikipedia.en:Taxifolin wikipedia.en (2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one IUPAC (+)-Dihydroquercetin kegg.compound (+)-Taxifolin kegg.compound (2R,3R)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one chemidplus (2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one iupac (2R,3R)-dihydroquercetin chemidplus (2R,3R)-dihydroquercetin uniprot_ft (2R-trans)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4-benzopyrone chemidplus Dihydroquercetin kegg.compound Taxifolin kegg.compound trans-Dihydroquercetin kegg.compound A flavone <em>C</em>-glycoside consisting of luteolin having a β-<small>D</small>-glucosyl residue at the 6-position. CHEBI:14471 CHEBI:24905 CHEBI:6034 cas:4261-42-1 kegg.compound:C01821 knapsack:C00001055 lipidmaps:LMPK12110469 pubmed:21080643 pubmed:22529049 pubmed:22948221 pubmed:22980875 pubmed:23026832 pubmed:23220614 reaxys:68256 wikipedia.en:Isoorientin (1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-D-glucitol chebi_ontology (1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-D-glucitol 2-(3,4-dihydroxyphenyl)-6-beta-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one Homoorientin Isoorientin Luteolin-6-C-beta-D-glucoside CHEBI:17965 isoorientin 0 C21H20O11 ODBRNZZJSYPIDI-VJXVFPJBSA-N 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 448.38 448.10056 O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12 cas:4261-42-1 cas kegg.compound:C01821 kegg.compound knapsack:C00001055 knapsack lipidmaps:LMPK12110469 lipidmaps pubmed:21080643 pubmed pubmed:22529049 pubmed pubmed:22948221 pubmed pubmed:22980875 pubmed pubmed:23026832 pubmed pubmed:23220614 pubmed reaxys:68256 reaxys wikipedia.en:Isoorientin wikipedia.en (1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-D-glucitol IUPAC (1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-D-glucitol iupac 2-(3,4-dihydroxyphenyl)-6-beta-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one chebi Homoorientin chemidplus Isoorientin kegg.compound Luteolin-6-C-beta-D-glucoside chebi 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. CHEBI:15128 CHEBI:26812 CHEBI:45795 CHEBI:9314 cas:57-50-1 drugbank:DB02772 drugcentral:4610 gmelin:97695 hmdb:HMDB0000258 kegg.compound:C00089 kegg.drug:D00025 kegg.drug:D06533 kegg.glycan:G00370 knapsack:C00001151 metacyc.compound:SUCROSE pdb-ccd:SUC pubmed:11021636 pubmed:11093712 pubmed:11111003 pubmed:12065720 pubmed:12706980 pubmed:13508893 pubmed:15291457 pubmed:15660210 pubmed:15792978 pubmed:15845855 pubmed:16228482 pubmed:16304615 pubmed:16313996 pubmed:16525719 pubmed:16660545 pubmed:16663947 pubmed:16665852 pubmed:17233733 pubmed:17439666 pubmed:17597061 pubmed:18625236 pubmed:19199566 pubmed:19726178 pubmed:21703290 pubmed:21972845 pubmed:22085755 pubmed:22311778 pubmed:22404833 pubmed:22751876 reaxys:1435311 reaxys:90825 wikipedia.en:Sucrose beta-D-fructofuranosyl alpha-D-glucopyranoside chebi_ontology 1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside Cane sugar SUCROSE Saccharose Sacharose Sucrose White sugar beta-D-Fruf-(2<->1)-alpha-D-Glcp beta-D-fructofuranosyl alpha-D-glucopyranoside sacarosa sucrose table sugar CHEBI:17992 sucrose 0 C12H22O11 CZMRCDWAGMRECN-UGDNZRGBSA-N 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 342.297 342.11621 OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O WURCS=2.0/2,2,1/[a2122h-1a_1-5][ha122h-2b_2-5]/1-2/a1-b2 cas:57-50-1 cas drugbank:DB02772 drugbank drugcentral:4610 drugcentral gmelin:97695 gmelin hmdb:HMDB0000258 hmdb kegg.compound:C00089 kegg.compound kegg.drug:D00025 kegg.drug kegg.drug:D06533 kegg.drug kegg.glycan:G00370 kegg.glycan knapsack:C00001151 knapsack metacyc.compound:SUCROSE metacyc.compound pdb-ccd:SUC pdb-ccd pubmed:11021636 pubmed pubmed:11093712 pubmed pubmed:11111003 pubmed pubmed:12065720 pubmed pubmed:12706980 pubmed pubmed:13508893 pubmed pubmed:15291457 pubmed pubmed:15660210 pubmed pubmed:15792978 pubmed pubmed:15845855