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 definition The official definition, explaining the meaning of a class or property. Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions. 2012-04-05: Barry Smith The official OBI definition, explaining the meaning of a class or property: 'Shall be Aristotelian, formalized and normalized. Can be augmented with colloquial definitions' is terrible. Can you fix to something like: A statement of necessary and sufficient conditions explaining the meaning of an expression referring to a class or property. Alan Ruttenberg Your proposed definition is a reasonable candidate, except that it is very common that necessary and sufficient conditions are not given. Mostly they are necessary, occasionally they are necessary and sufficient or just sufficient. Often they use terms that are not themselves defined and so they effectively can't be evaluated by those criteria. On the specifics of the proposed definition: We don't have definitions of 'meaning' or 'expression' or 'property'. For 'reference' in the intended sense I think we use the term 'denotation'. For 'expression', I think we you mean symbol, or identifier. For 'meaning' it differs for class and property. For class we want documentation that let's the intended reader determine whether an entity is instance of the class, or not. For property we want documentation that let's the intended reader determine, given a pair of potential relata, whether the assertion that the relation holds is true. The 'intended reader' part suggests that we also specify who, we expect, would be able to understand the definition, and also generalizes over human and computer reader to include textual and logical definition. Personally, I am more comfortable weakening definition to documentation, with instructions as to what is desirable. We also have the outstanding issue of how to aim different definitions to different audiences. A clinical audience reading chebi wants a different sort of definition documentation/definition from a chemistry trained audience, and similarly there is a need for a definition that is adequate for an ontologist to work with. PERSON:Daniel Schober GROUP:OBI:<http://purl.obolibrary.org/obo/obi> definition definition 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 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 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. David Osumi-Sutherland 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 David Osumi-Sutherland X ends_after Y iff: end(Y) before_or_simultaneous_with end(X) ends after David Osumi-Sutherland starts_at_end_of X immediately_preceded_by Y iff: end(X) simultaneous_with start(Y) immediately preceded by David Osumi-Sutherland ends_at_start_of meets X immediately_precedes_Y iff: end(X) simultaneous_with start(Y) immediately precedes David Osumi-Sutherland 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 a 'toe distal phalanx bone' that is connected to a 'toe medial phalanx bone' (an interphalangeal joint *connects* these two bones). a is connected to b if and only if a and b are discrete structure, and there exists some connecting structure c, such that c connects a and b connected to https://github.com/obophenotype/uberon/wiki/Connectivity-Design-Pattern https://github.com/obophenotype/uberon/wiki/Modeling-articulations-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 Chris Mungall 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. Chris Mungall 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 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 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 chebi_ontology has_functional_parent false false has functional parent chebi_ontology has_parent_hydride false false has parent hydride chebi_ontology is_conjugate_acid_of true false is conjugate acid of chebi_ontology is_conjugate_base_of true false is conjugate base of chebi_ontology is_enantiomer_of true false is enantiomer of chebi_ontology is_substituent_group_from false false is substituent group from chebi_ontology is_tautomer_of true is tautomer of 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 Mannan which is derived from hemicellulose. Term has been declared redundant by the The Fiber Ontology Working Group mannan derived from hemicellulose true Xylan which is derived from hemicellulose. Term has been declared redundant by the The Fiber Ontology Working Group xylan derived from hemicellulose true Xyloglucan which is derived from hemicellulose. Term has been declared redundant by the The Fiber Ontology Working Group xyloglucan derived from hemicellulose true Glucomannan which is derived from hemicellulose. Term has been declared redundant by the The Fiber Ontology Working Group glucomannan derived from hemicellulose true Arabinoxylan which is derived from hemicellulose. Term has been declared redundant by the The Fiber Ontology Working Group 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 The concentration of sodium chloride when measured in some material entity. The equivalency statement has been duplicated material entity sodium chloride concentration concentration of sodium chloride in material entity true The concentration of calcium dichloride when measured in some material entity. The equivalency statement has been duplicated material entity calcium dichloride concentration 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 The concentration of magnesium dichloride when measured in some material entity. The equivalency statement has been duplicated material entity magnesium dichloride concentration 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 The concentration of lysophosphatidylcholine when measured in some material entity. The equivalency statement has been duplicated material entity lysophosphatidylcholine concentration concentration of lysophosphatidylcholine in material entity true The concentration of phosphatidylcholine when measured in some material entity. The equivalency statement has been duplicated material entity phosphatidylcholine concentration concentration of phosphatidylcholine in material entity true The concentration of phosphatidylethanolamine when measured in some material entity. The equivalency statement has been duplicated material entity phosphatidylethanolamine concentration concentration of phosphatidylethanolamine in material entity true The concentration of phosphatidylinositol when measured in some material entity. The equivalency statement has been duplicated material entity phosphatidylinositol concentration 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 The concentration of myo-inositol hexakisphosphate when measured in some material entity. The equivalency statement has been duplicated material entity myo-inositol hexakisphosphate concentration 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 The concentration of sodium chloride when measured in some material entity. The equivalency statement has been duplicated material entity sodium chloride concentration 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 The concentration of sodium hydrogensulfite when measured in some material entity. The equivalency statement has been duplicated material entity sodium hydrogensulfite concentration 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 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 concentration of cysteine in material entity true 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 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 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 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 The concentration of polyol when measured in some material entity. The equivalency statement has been duplicated material entity polyol concentration 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 The concentration of mannitol when measured in some material entity. The equivalency statement has been duplicated material entity mannitol concentration concentration of mannitol in material entity true The concentration of glycerol when measured in some material entity. The equivalency statement has been duplicated material entity glycerol concentration concentration of glycerol in material entity true The concentration of glucitol when measured in some material entity. The equivalency statement has been duplicated material entity glucitol concentration concentration of glucitol in material entity true The concentration of xylitol when measured in some material entity. The equivalency statement has been duplicated material entity xylitol concentration 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 0 C27H42O3 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 WQLVFSAGQJTQCK-CAKNJAFZSA-N 414.622 414.31340 C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]11CC[C@H](C)CO1 CAS:512-06-1 KEGG:C08918 KNApSAcK:C00003597 Yamogenin chebi_ontology CHEBI:10086 Yamogenin CAS:512-06-1 KEGG COMPOUND Yamogenin KEGG_COMPOUND A beta-hydroxy ketone that is 5-hydroxydecan-3-one substituted by a 4-hydroxy-3-methoxyphenyl moiety at position 1; believed to inhibit adipogenesis. It is a constituent of fresh ginger. 0 C17H26O4 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 NLDDIKRKFXEWBK-AWEZNQCLSA-N 294.38590 294.18311 CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 CAS:23513-14-6 HMDB:HMDB0005783 KEGG:C10462 KNApSAcK:C00002748 LINCS:LSM-2569 MetaCyc:CPD-13494 PMID:22719783 PMID:23369342 PMID:23437345 PMID:23519881 Reaxys:5287467 Wikipedia:Gingerol (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one chebi_ontology (+)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone (S)-(+)-[6]Gingerol (S)-(6)-Gingerol 6-Gingerol [6]-Gingerol CHEBI:10136 gingerol CAS:23513-14-6 ChemIDplus CAS:23513-14-6 KEGG COMPOUND PMID:22719783 Europe PMC PMID:23369342 Europe PMC PMID:23437345 Europe PMC PMID:23519881 Europe PMC Reaxys:5287467 Reaxys (5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one IUPAC (+)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone ChemIDplus (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'R)-beta,epsilon-carotene hydroxy-substituted at C-3' with R-stereochemistry. 0 C40H56O 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 ORAKUVXRZWMARG-XBBNTEQGSA-N 552.87200 552.43312 CC(\C=C\C=C(C)\C=C\[C@H]1C(C)=C[C@H](O)CC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C Beilstein:2342912 CAS:24480-38-4 KEGG:C15981 LIPID_MAPS_instance:LMPR01070268 PMID:16923233 PMID:19813226 PMID:2262812 (3'R,6'R)-beta,epsilon-caroten-3'-ol alpha-Cryptoxanthin alpha-cryptoxanthin chebi_ontology CHEBI:10223 alpha-cryptoxanthin Beilstein:2342912 Beilstein CAS:24480-38-4 KEGG COMPOUND LIPID_MAPS_instance:LMPR01070268 LIPID MAPS PMID:16923233 Europe PMC PMID:19813226 Europe PMC PMID:2262812 Europe PMC (3'R,6'R)-beta,epsilon-caroten-3'-ol IUPAC alpha-Cryptoxanthin KEGG_COMPOUND alpha-cryptoxanthin UniProt A carotenol that exhibits antioxidant activity. It has been isolated from fruits such as papaya and oranges. 0 C40H56O 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 DMASLKHVQRHNES-FKKUPVFPSA-N 552.87204 552.43312 CC(\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C Beilstein:2230123 CAS:472-70-8 HMDB:HMDB0033844 KEGG:C08591 KNApSAcK:C00000920 LIPID_MAPS_instance:LMPR01070269 MetaCyc:CPD-7409 PMID:15386932 PMID:19703237 Reaxys:2230123 Wikipedia:Cryptoxanthin (3R)-beta,beta-caroten-3-ol beta-Cryptoxanthin beta-cryptoxanthin chebi_ontology cryptoxanthin CHEBI:10362 beta-cryptoxanthin Beilstein:2230123 Beilstein CAS:472-70-8 ChemIDplus CAS:472-70-8 KEGG COMPOUND LIPID_MAPS_instance:LMPR01070269 LIPID MAPS PMID:15386932 Europe PMC PMID:19703237 Europe PMC Reaxys:2230123 Reaxys (3R)-beta,beta-caroten-3-ol IUPAC beta-Cryptoxanthin KEGG_COMPOUND beta-cryptoxanthin UniProt cryptoxanthin ChemIDplus -2 (C12H17O12S)n Beilstein:8971047 CAS:11114-20-8 KEGG:C02607 (1->4)-3,6-anhydro-alpha-D-galactopyranosyl-(1->3)-4-O-sulfonato-beta-D-galactopyranan kappa-Carrageenan chebi_ontology CHEBI:10583 kappa-carrageenan Beilstein:8971047 Beilstein CAS:11114-20-8 ChemIDplus CAS:11114-20-8 KEGG COMPOUND (1->4)-3,6-anhydro-alpha-D-galactopyranosyl-(1->3)-4-O-sulfonato-beta-D-galactopyranan IUPAC kappa-Carrageenan KEGG_COMPOUND 0 C10H12O5 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 ZTHYODDOHIVTJV-UHFFFAOYSA-N 212.200 212.06847 CCCOC(=O)c1cc(O)c(O)c(O)c1 CAS:121-79-9 HMDB:HMDB0033835 KEGG:C11155 KEGG:D02382 n-Propyl gallate chebi_ontology Propyl gallate CHEBI:10607 n-propyl gallate CAS:121-79-9 KEGG COMPOUND n-Propyl gallate KEGG_COMPOUND Propyl gallate KEGG_COMPOUND A perillyl alcohol in which the chiral centre has S configuration. 0 C10H16O 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 NDTYTMIUWGWIMO-SNVBAGLBSA-N 152.23340 152.12012 CC(=C)[C@H]1CCC(CO)=CC1 CAS:18457-55-1 CAS:536-59-4 KEGG:C02452 KNApSAcK:C00010885 LIPID_MAPS_instance:LMPR0102090008 MetaCyc:CPD-261 PMID:24125633 PMID:24623736 PMID: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 p-Mentha-1,8-dien-7-ol CHEBI:10782 (S)-(-)-perillyl alcohol (S)-(-)-perillyl alcohol CAS:18457-55-1 KEGG COMPOUND CAS:536-59-4 KEGG COMPOUND LIPID_MAPS_instance:LMPR0102090008 LIPID MAPS PMID:24125633 Europe PMC PMID:24623736 Europe PMC PMID:28233648 Europe PMC Reaxys:2501605 Reaxys [(4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol IUPAC (-)-Perillylalcohol KEGG_COMPOUND (4S)-perillyl alcohol UniProt 4-isopropenylcyclohex-1-en-1-ylmethanol ChEBI Perillyl alcohol KEGG_COMPOUND 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-1H,7H-chromeno[6',5':4,5]furo[3,2-c]chromen-10-ol in which both of the hydrogens at position 3 have been replaced by methyl groups (the R,R stereoisomer). It is found in found in the seeds of Phaseolus vulgaris (French bean) and in the stems of Erythrina subumbrans. 0 C20H20O4 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 YAHJJEDSBUXVRQ-KXBFYZLASA-N 324.371 324.13616 C12=C3C(=CC=C2OC(CC1)(C)C)[C@]4([C@@](O3)(C=5C=CC(O)=CC5OC4)[H])[H] CAS:13401-40-6 HMDB:HMDB0034173 KEGG:C10514 KNApSAcK:C00002559 LIPID_MAPS_instance:LMPK12070020 PMID:17964704 Wikipedia: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 phaseolin phaseollin CHEBI:108 (-)-phaseolin CAS:13401-40-6 ChemIDplus CAS:13401-40-6 KEGG COMPOUND LIPID_MAPS_instance:LMPK12070020 LIPID MAPS PMID:17964704 Europe PMC (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 phaseolin KEGG_COMPOUND phaseollin ChEBI A 3-sn-glycerophosphoserine compound having acyl substituents at the 1- and 2-hydroxy positions. 0 C8H12NO10PR2 313.156 313.01988 N[C@@H](COP(O)(=O)OC[C@@H](COC([*])=O)OC([*])=O)C(O)=O CHEBI:64388 KEGG:C02737 LIPID_MAPS_instance:LMGP03010000 PMID: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 3-sn-phosphatidyl-L-serine LIPID_MAPS_instance:LMGP03010000 LIPID MAPS PMID:16341241 Europe PMC 1,2-diacyl-sn-glycero-3-phospho-L-serine ChEBI 1,2-diacyl-sn-glycerol 3-phospho-L-serine LIPID_MAPS 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 0 C17H16O5 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 VVPGAJNPGZZNBM-SJORKVTESA-N 300.307 300.09977 COc1ccc2c(O[C@@H]3c4ccc(OC)cc4OC[C@]23O)c1 CAS:3187-52-8 KEGG:C10539 KNApSAcK:C00002582 (-)-Variabilin chebi_ontology CHEBI:123 (-)-Variabilin CAS:3187-52-8 KEGG COMPOUND (-)-Variabilin KEGG_COMPOUND 0 C25H22O10 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 SEBFKMXJBCUCAI-UHFFFAOYSA-N 482.437 482.12130 COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O HMDB:HMDB0030583 LINCS: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 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 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:Vitamin-A Wikipedia:Vitamin_A chebi_ontology vitamin A vitamer vitamin A vitamers vitamin-A vitamins A CHEBI:12777 vitamin A vitamin A vitamin A vitamer ChEBI vitamin A vitamers ChEBI vitamin-A ChEBI vitamins A ChEBI An inorganic phosphate having Fe(3+) as the counterion. 0 FeO4P InChI=1S/Fe.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+3;/p-3 WBJZTOZJJYAKHQ-UHFFFAOYSA-K 150.817 150.88836 [Fe+3].[O-]P([O-])(=O)[O-] CAS:10045-86-0 PMID:25582353 PPDB:1478 Reaxys:11343340 Wikipedia:Iron(III)_phosphate iron(3+) phosphate chebi_ontology FePO4 Ferric orthophosphate Iron orthophosphate Iron phosphate ferric phosphate iron(III) phosphate CHEBI:131371 iron(3+) phosphate iron(3+) phosphate CAS:10045-86-0 ChemIDplus PMID:25582353 Europe PMC Reaxys:11343340 Reaxys iron(3+) phosphate IUPAC FePO4 ChEBI Ferric orthophosphate ChemIDplus Iron orthophosphate ChemIDplus Iron phosphate ChemIDplus ferric phosphate ChEBI iron(III) phosphate ChEBI A docosatetraenoic acid in which the four double bonds are located at positions 7, 10, 13 and 16 (geometry unspecified). 0 C22H36O2 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) TWSWSIQAPQLDBP-UHFFFAOYSA-N 332.521 332.27153 OC(=O)CCCCCC=CCC=CCC=CCC=CCCCCC Chemspider:1955 Reaxys:1914610 docosa-7,10,13,16-tetraenoic acid chebi_ontology docosatetraenoic acid CHEBI:131693 7,10,13,16-docosatetraenoic acid 7,10,13,16-docosatetraenoic acid Reaxys:1914610 Reaxys 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 1,4-naphthoquinones An organic sodium salt consisting of sodium and oxalate ions in a 2:1 ratio. 0 C2Na2O4 InChI=1S/C2H2O4.2Na/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2 ZNCPFRVNHGOPAG-UHFFFAOYSA-L 133.999 133.95920 C(C(=O)[O-])(=O)[O-].[Na+].[Na+] CAS:62-76-0 PMID:26898643 PMID:26974482 PMID:27064297 PMID:27085940 Reaxys:3631622 Wikipedia:Sodium_oxalate disodium ethanedioate chebi_ontology Disodium oxalate Ethanedioic acid, disodium salt Natriumoxalat Oxalic acid, disodium salt CHEBI:132764 sodium oxalate sodium oxalate CAS:62-76-0 ChemIDplus CAS:62-76-0 NIST Chemistry WebBook PMID:26898643 Europe PMC PMID:26974482 Europe PMC PMID:27064297 Europe PMC PMID:27085940 Europe PMC Reaxys:3631622 Reaxys disodium ethanedioate IUPAC Disodium oxalate ChemIDplus Ethanedioic acid, disodium salt ChemIDplus Natriumoxalat ChemIDplus Oxalic acid, disodium salt ChemIDplus A glycoside that is the alpha-L-rhamnosyl-(1->3)-beta-D-glucoside of hydroxytyrosol in which the hydroxy group at position 4 of the glucopyranosyl moiety has undergone esterification by formal condensation with trans-caffeic acid. 0 C29H36O15 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 FBSKJMQYURKNSU-ZLSOWSIRSA-N 624.588 624.20542 [C@H]1([C@H]([C@@H](O[C@@H]([C@H]1OC(/C=C/C=2C=CC(=C(C2)O)O)=O)CO)OCCC=3C=C(C(=CC3)O)O)O)O[C@@H]4O[C@H]([C@@H]([C@H]([C@H]4O)O)O)C CHEBI:9953 CAS:61276-17-3 HMDB:HMDB0034843 KEGG:C10501 KNApSAcK:C00002783 PMID:10432210 PMID:25628651 PMID:25900014 PMID:25900087 PMID:26427909 PMID:26453510 PMID:26700563 PMID:26827721 PMID:26856531 PMID:26981096 PMID:26990576 PMID:27096224 PMID:27125592 PMID:27191581 PMID:27223850 PMID:27326537 PMID:27428333 Reaxys:1278646 Wikipedia: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-(alpha-L-rhamnopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside kusaginin verbascoside CHEBI:132853 acteoside acteoside CAS:61276-17-3 ChemIDplus CAS:61276-17-3 KEGG COMPOUND PMID:10432210 Europe PMC PMID:25628651 Europe PMC PMID:25900014 Europe PMC PMID:25900087 Europe PMC PMID:26427909 Europe PMC PMID:26453510 Europe PMC PMID:26700563 Europe PMC PMID:26827721 Europe PMC PMID:26856531 Europe PMC PMID:26981096 Europe PMC PMID:26990576 Europe PMC PMID:27096224 Europe PMC PMID:27125592 Europe PMC PMID:27191581 Europe PMC PMID:27223850 Europe PMC PMID:27326537 Europe PMC PMID:27428333 Europe PMC Reaxys:1278646 Reaxys 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. 0 C24H24O11 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 DUBPGEJGGVZKDD-PFKOEMKTSA-N 488.442 488.13186 C1(=C(C=C2C(=C1)OC=C(C2=O)C3=CC=C(C=C3)O)OC)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)COC(=O)C AGR:IND43644848 AGR:IND44656670 AGR:IND604381583 CAS:134859-96-4 Chemspider:8403585 HMDB:HMDB0039489 KNApSAcK:C00019122 PMID:11879011 PMID:16038195 PMID:18729453 PMID:19256558 PMID:21614173 PMID:22980879 PMID: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 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) AGR:IND43644848 Europe PMC AGR:IND44656670 Europe PMC AGR:IND604381583 Europe PMC CAS:134859-96-4 ChemIDplus PMID:11879011 Europe PMC PMID:16038195 Europe PMC PMID:18729453 Europe PMC PMID:19256558 Europe PMC PMID:21614173 Europe PMC PMID:22980879 Europe PMC PMID:9848519 Europe PMC Reaxys:4341444 Reaxys 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 beta-D-glucosyl residues. +1 C27H31O15 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 SLCKJKWFULXZBD-ZOTFFYTFSA-O 595.527 595.16575 O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C=C3C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)=CC(O)=CC3=[O+]C2C5=CC=C(O)C=C5)CO CHEBI:7951 AGR:IND20370875 AGR:IND44068587 AGR:IND44185850 AGR:IND44517122 AGR:IND500657886 CAS:17334-58-6 Chemspider:390369 HMDB:HMDB0033681 KEGG:C08725 KNApSAcK:C00002387 LIPID_MAPS_instance:LMPK12010015 PMID:10637045 PMID:16395794 PMID:21936496 PMID:23132311 PMID:23216001 PMID:24493900 PMID:25650327 Reaxys:3827597 Wikipedia:Pelargonin 3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyran-1-ium-5-yl beta-D-glucopyranoside chebi_ontology 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 pelargonin AGR:IND20370875 Europe PMC AGR:IND44068587 Europe PMC AGR:IND44185850 Europe PMC AGR:IND44517122 Europe PMC AGR:IND500657886 Europe PMC CAS:17334-58-6 KEGG COMPOUND LIPID_MAPS_instance:LMPK12010015 LIPID MAPS PMID:10637045 Europe PMC PMID:16395794 Europe PMC PMID:21936496 Europe PMC PMID:23132311 Europe PMC PMID:23216001 Europe PMC PMID:24493900 Europe PMC PMID:25650327 Europe PMC Reaxys:3827597 Reaxys 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. 0 C21H30O4 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 NQYBQBZOHCACCR-UHFFFAOYSA-N 346.461 346.21441 C1(O)=C(CC=C(C)C)C(=C(C(O)=C1CC=C(C)C)C(=O)CC(C)C)O CAS:4374-93-0 HMDB:HMDB0036624 MetaCyc:CPD-7105 PMID:25564559 Reaxys:2061212 deoxyhumulone chebi_ontology 3,5-Bis(3-methyl-2-butenyl)phlorisovalerophenone 3,5-diprenylphlorisovalerophenone 4-Deoxy-humulone 4-Deoxyhumulone diprenylphlorisovalerophenone CHEBI:134345 deoxyhumulone deoxyhumulone CAS:4374-93-0 ChemIDplus PMID:25564559 SUBMITTER Reaxys:2061212 Reaxys deoxyhumulone UniProt 3,5-Bis(3-methyl-2-butenyl)phlorisovalerophenone HMDB 3,5-diprenylphlorisovalerophenone ChEBI 4-Deoxy-humulone HMDB 4-Deoxyhumulone ChemIDplus diprenylphlorisovalerophenone MetaCyc A biflavonoid that is 3,4,5-trihydroxybenzocyclohepten-6-one which is substituted at positions 1 and 8 by (2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl groups. It is the main red pigment in black tea. 0 C29H24O12 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 IPMYMEWFZKHGAX-ZKSIBHASSA-N 564.495 564.12678 [C@@]1(OC=2C=C(O)C=C(O)C2C[C@H]1O)([H])C3=CC(=O)C(=C4C(=C3)C([C@]5(OC=6C=C(O)C=C(O)C6C[C@H]5O)[H])=CC(O)=C4O)O CAS:4670-05-7 Chemspider:102754 FooDB:FDB012511 HMDB:HMDB0005788 KNApSAcK:C00009348 PMID:26386739 PMID:26851019 PMID:27237789 PMID:27756182 PMID:27838465 PMID:28190756 PMID:28381812 PMID:28639145 PMID:28939421 Patent:KR20080052675 Reaxys:25497520 Wikipedia: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 theaflavine CHEBI:136609 theaflavin theaflavin CAS:4670-05-7 ChemIDplus PMID:26386739 Europe PMC PMID:26851019 Europe PMC PMID:27237789 Europe PMC PMID:27756182 Europe PMC PMID:27838465 Europe PMC PMID:28190756 Europe PMC PMID:28381812 Europe PMC PMID:28639145 Europe PMC PMID:28939421 Europe PMC Reaxys:25497520 Reaxys 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 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. 0 C18H16O7 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 KLAOKWJLUQKWIF-UHFFFAOYSA-N 344.316 344.08960 O1C=2C(=C(O)C(OC)=C(OC)C2)C(=O)C=C1C3=CC(O)=C(OC)C=C3 AGR:IND43745404 AGR:IND605417569 CAS:855-96-9 Chemspider:87743 KNApSAcK:C00003894 LIPID_MAPS_instance:LMPK12111239 PMID:18454852 PMID:19601638 PMID:22227008 PMID:22516932 PMID:22698713 PMID:22898066 PMID:23839090 PMID:24422962 PMID:25390937 PMID:25442272 PMID:25598631 PMID:26281557 PMID:26322527 PMID:26404257 PMID:26649063 PMID:26983579 PMID:27187805 PMID:27370961 PMID:27470387 PMID:27679866 PMID:27695261 PMID:27834876 PMID:27991400 PMID:28044092 PMID:28347190 PMID:29373904 PMID:5847037 PMID:905420 Reaxys:1355109 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one eupatorin chebi_ontology 3',5-Dihydroxy-4',6,7-trimethoxyflavone Eupatorine CHEBI:136666 eupatorin eupatorin AGR:IND43745404 Europe PMC AGR:IND605417569 Europe PMC CAS:855-96-9 ChemIDplus CAS:855-96-9 NIST Chemistry WebBook LIPID_MAPS_instance:LMPK12111239 LIPID MAPS PMID:18454852 Europe PMC PMID:19601638 Europe PMC PMID:22227008 Europe PMC PMID:22516932 Europe PMC PMID:22698713 Europe PMC PMID:22898066 Europe PMC PMID:23839090 Europe PMC PMID:24422962 Europe PMC PMID:25390937 Europe PMC PMID:25442272 Europe PMC PMID:25598631 Europe PMC PMID:26281557 Europe PMC PMID:26322527 Europe PMC PMID:26404257 Europe PMC PMID:26649063 Europe PMC PMID:26983579 Europe PMC PMID:27187805 Europe PMC PMID:27370961 Europe PMC PMID:27470387 Europe PMC PMID:27679866 Europe PMC PMID:27695261 Europe PMC PMID:27834876 Europe PMC PMID:27991400 Europe PMC PMID:28044092 Europe PMC PMID:28347190 Europe PMC PMID:29373904 Europe PMC PMID:5847037 Europe PMC PMID:905420 Europe PMC Reaxys:1355109 Reaxys 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one IUPAC eupatorin UniProt 3',5-Dihydroxy-4',6,7-trimethoxyflavone KNApSAcK Eupatorine ChemIDplus A beta-carotene carrying one additional hydroxy substituent at position 4. 0 C40H56O 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+ JCRCKXUPYKELBT-QQGJMDNJSA-N 552.874 552.43312 C1(=C(C(CCC1(C)C)O)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(CCCC2(C)C)C)\C)\C)/C)/C MetaCyc:CPD-17650 PMID:15659105 4-hydroxy-all-trans-beta-carotene trans-beta-carotene chebi_ontology 4-hydroxy-beta-carotene beta-caroten-4-ol isocryptoxanthin CHEBI:140677 4-hydroxy-all-trans-beta-carotene MetaCyc:CPD-17650 SUBMITTER PMID:15659105 SUBMITTER 4-hydroxy-all-trans-beta-carotene UniProt 4-hydroxy-beta-carotene SUBMITTER beta-caroten-4-ol SUBMITTER isocryptoxanthin SUBMITTER A cyclic ketone isolated from the bark of Morella species and has been shown to exhibit cytotoxic activity against cancer cells. 0 C21H24O5 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 ZTSNTUQTNQSIDC-UHFFFAOYSA-N 356.413 356.16237 O(C1=C2C=C(CCCCC(=O)CCC3=CC2=C(O)C=C3)C(O)=C1OC)C CAS:32492-74-3 Chemspider:142062 FooDB:FDB002739 HMDB:HMDB0030798 KNApSAcK:C00033235 PMID:10996724 PMID:11848211 PMID:12413852 PMID:23066712 PMID:23972241 PMID:24299604 PMID:24810013 PMID:25720464 PMID:27492128 PMID:29257058 Reaxys:2064341 Wikipedia:Myricanone chebi_ontology CHEBI:141540 Myricanone Myricanone CAS:32492-74-3 ChemIDplus CAS:32492-74-3 KNApSAcK Chemspider:142062 SUBMITTER PMID:10996724 Europe PMC PMID:11848211 Europe PMC PMID:12413852 Europe PMC PMID:23066712 Europe PMC PMID:23972241 Europe PMC PMID:24299604 Europe PMC PMID:24810013 Europe PMC PMID:25720464 Europe PMC PMID:27492128 Europe PMC PMID:29257058 Europe PMC Reaxys:2064341 Reaxys +1 C28H33O15 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 CLKYQBTVJZYKOK-HUJUZFAXSA-O 609.554 609.18140 O(C1=CC=2C(O)=CC(O)=CC2[O+]=C1C3=CC=C(C(=C3)O)OC)[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@@H]([C@H]([C@H]5O)O)O)[C@H]([C@@H]([C@H]4O)O)O Chemspider:30777638 HMDB:HMDB0041753 chebi_ontology CHEBI:142263 isopeonidin 3-rutinoside isopeonidin 3-rutinoside Chemspider:30777638 SUBMITTER An acetophenone substituted by a sulfooxy group at position 2 and by a hydroxy group at position 4. 0 C8H8O6S 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) COXWPCPYWFBNJH-UHFFFAOYSA-N 232.210 232.00416 O(C1=C(C=CC(O)=C1)C(=O)C)S(O)(=O)=O FooDB:FDB029801 HMDB:HMDB0041646 Pubchem:10657183 2-acetyl-5-hydroxyphenyl hydrogen sulfate chebi_ontology 2,4-dihydroxyacetophenone 5-sulfate CHEBI:143237 2-O-sulfate-4-hydroxyacetophenone 2-O-sulfate-4-hydroxyacetophenone Pubchem:10657183 SUBMITTER 2-acetyl-5-hydroxyphenyl hydrogen sulfate IUPAC 2,4-dihydroxyacetophenone 5-sulfate ChEBI A rebaudioside that is rubusoside in which the hydroxy groups at positions 3 and 4 of the beta-D-glucopyranosyloxy group at the 13alpha position have both been converted to the corresponding beta-D-glucopyranoside. 0 C44H70O23 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 HELXLJCILKEWJH-NCGAPWICSA-N 967.021 966.43079 [C@]123[C@]([C@]4([C@@]([C@](CCC4)(C)C(O[C@@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O)O)CO)=O)(CC1)[H])C)(CC[C@@](C2)(O[C@H]6[C@H](O[C@@H]7O[C@@H]([C@@H](O)[C@@H]([C@H]7O)O)CO)[C@H]([C@H](O)[C@H](O6)CO)O[C@@H]8O[C@@H]([C@@H](O)[C@@H]([C@H]8O)O)CO)C(C3)=C)[H] AGR:IND606339833 CAS:58543-16-1 FooDB:FDB013543 HMDB:HMDB0034950 KNApSAcK:C00023175 MetaCyc:CPD-14506 PMID:15610349 PMID:25353385 PMID:26776281 PMID:27352150 PMID:27638403 PMID:28218969 PMID:29262312 PMID:29355553 PMID:29433626 PMID:29461634 PMID:29655729 PMID:30291959 PMID:30666114 PMID:30883860 PMID:31030274 PMID:31159256 PMID:31324778 Wikipedia: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 rebaudioside A chebi_ontology 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 CHEBI:145012 rebaudioside A rebaudioside A AGR:IND606339833 Europe PMC CAS:58543-16-1 ChemIDplus PMID:15610349 SUBMITTER PMID:25353385 Europe PMC PMID:26776281 Europe PMC PMID:27352150 Europe PMC PMID:27638403 Europe PMC PMID:28218969 Europe PMC PMID:29262312 Europe PMC PMID:29355553 Europe PMC PMID:29433626 Europe PMC PMID:29461634 Europe PMC PMID:29655729 Europe PMC PMID:30291959 Europe PMC PMID:30666114 Europe PMC PMID:30883860 Europe PMC PMID:31030274 Europe PMC PMID:31159256 Europe PMC PMID:31324778 SUBMITTER 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 A UniProt 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 ChemIDplus -1 C38H59O18 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 DRSKVOAJKLUMCL-MMUIXFKXSA-M 803.873 803.37069 [O-]C([C@]1([C@@]2([C@]([C@]3([C@]4(C[C@@](O[C@H]5[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@@H]([C@H]6O)O)CO)[C@H]([C@H](O)[C@H](O5)CO)O[C@@H]7O[C@@H]([C@@H](O)[C@@H]([C@H]7O)O)CO)(CC3)C(C4)=C)CC2)[H])(CCC1)C)[H])C)=O MetaCyc:CPD-14507 PMID:15610349 PMID:31324778 chebi_ontology rebaudioside B CHEBI:145013 rebaudioside B(1-) MetaCyc:CPD-14507 SUBMITTER PMID:15610349 SUBMITTER PMID:31324778 SUBMITTER rebaudioside B UniProt A rebaudioside that is stevioside in which the hydroxy group at position 2 of the glucosyl ester moiety has been converted into the corresponding beta-D-glucoside. 0 C44H70O23 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 RLLCWNUIHGPAJY-SFUUMPFESA-N 967.021 966.43079 O([C@@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1O[C@@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO)O)CO)C([C@]3([C@@]4([C@]([C@]5([C@]6(C[C@@](CC5)(C(C6)=C)O[C@H]7[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@@H]([C@H]8O)O)CO)[C@H]([C@H](O)[C@H](O7)CO)O)CC4)[H])(CCC3)C)[H])C)=O CAS:63279-14-1 PMID:24758242 PMID:26003514 PMID:29889557 PMID:31324778 Patent:EP1361870 Patent:WO02060419 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_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 CHEBI:145018 rebaudioside E CAS:63279-14-1 ChemIDplus PMID:24758242 Europe PMC PMID:26003514 Europe PMC PMID:29889557 Europe PMC PMID:31324778 SUBMITTER 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 (-)-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 A rebaudioside that is rebaudioside A in which the hydroxy group at position 2 of the beta-D-glucosyl ester moiety has been converted to the corresponding beta-D-glucoside. Found in minute quantities in the leaves of Stevia rebaudiana. 0 C50H80O28 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 RPYRMTHVSUWHSV-CUZJHZIBSA-N 1129.162 1128.48361 [C@]123[C@]([C@]4([C@@]([C@](CCC4)(C)C(O[C@@H]5O[C@@H]([C@@H](O)[C@@H]([C@H]5O[C@@H]6O[C@@H]([C@@H](O)[C@@H]([C@H]6O)O)CO)O)CO)=O)(CC1)[H])C)(CC[C@@](C2)(O[C@H]7[C@H](O[C@@H]8O[C@@H]([C@@H](O)[C@@H]([C@H]8O)O)CO)[C@H]([C@H](O)[C@H](O7)CO)O[C@@H]9O[C@@H]([C@@H](O)[C@@H]([C@H]9O)O)CO)C(C3)=C)[H] CAS:63279-13-0 FooDB:FDB013541 HMDB:HMDB0034948 KNApSAcK:C00036203 PMID:23203115 PMID:23766392 PMID:24187601 PMID:25233591 PMID:25529720 PMID:27923373 PMID:29680056 PMID:31182573 Patent:US2010316782 Patent:US2011104353 Patent:WO2010146463 Patent:WO2011056834 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 rebaudioside D chebi_ontology (-)-rebaudioside D Reb D Reb-D rebaudioside-D CHEBI:145022 rebaudioside D CAS:63279-13-0 ChemIDplus PMID:23203115 Europe PMC PMID:23766392 Europe PMC PMID:24187601 Europe PMC PMID:25233591 Europe PMC PMID:25529720 Europe PMC PMID:27923373 Europe PMC PMID:29680056 Europe PMC PMID:31182573 SUBMITTER 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 UniProt (-)-rebaudioside D ChemIDplus Reb D ChEBI Reb-D ChEBI 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. PMID:29537255 PMID:29863335 PMID:30466787 PMID:30506508 PMID:30897351 PMID:31063378 PMID:31195254 PMID:31295559 PMID:31438580 PMID:31491712 Wikipedia:Steviol_glycoside chebi_ontology steviol glycosides CHEBI:145027 steviol glycoside PMID:29537255 Europe PMC PMID:29863335 Europe PMC PMID:30466787 Europe PMC PMID:30506508 Europe PMC PMID:30897351 Europe PMC PMID:31063378 Europe PMC PMID:31195254 Europe PMC PMID:31295559 Europe PMC PMID:31438580 Europe PMC PMID:31491712 Europe PMC steviol glycosides ChEBI An aryl beta-D-glucoside that is phloretin attached to a beta-D-glucopyranosyl residue at position 4' via a glycosidic linkage. It is isolated from the leaves of the Chinese sweet tea Lithocarpus polystachyus and exhibits significant anti-hyperglycemic, anti-oxidative and anti-inflammatory properties. 0 C21H24O10 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 GSTCPEBQYSOEHV-QNDFHXLGSA-N 436.413 436.13695 O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC(O)=C(C(O)=C2)C(=O)CCC3=CC=C(O)C=C3)CO AGR:IND601124268 AGR:IND605946551 AGR:IND606090210 CAS:4192-90-9 FooDB:FDB016580 HMDB:HMDB0037505 KNApSAcK:C00007991 LIPID_MAPS_instance:LMPK12120518 PMID:22792798 PMID:23562371 PMID:25053100 PMID:26363372 PMID:27893760 PMID:28450013 PMID:29757201 PMID:29802645 PMID:29865928 PMID:31540429 3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl beta-D-glucopyranoside trilobatin chebi_ontology 1-(4-(beta-D-glucopyranosyloxy)-2,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone p-phloridzin p-phlorizin phloretin-4'-beta-D-glucopyranoside phloretin-4'-beta-D-glucoside CHEBI:145829 trilobatin AGR:IND601124268 Europe PMC AGR:IND605946551 Europe PMC AGR:IND606090210 Europe PMC CAS:4192-90-9 ChemIDplus LIPID_MAPS_instance:LMPK12120518 LIPID MAPS PMID:22792798 Europe PMC PMID:23562371 Europe PMC PMID:25053100 Europe PMC PMID:26363372 Europe PMC PMID:27893760 Europe PMC PMID:28450013 Europe PMC PMID:29757201 Europe PMC PMID:29802645 Europe PMC PMID:29865928 Europe PMC PMID:31540429 Europe PMC 3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl beta-D-glucopyranoside IUPAC trilobatin UniProt 1-(4-(beta-D-glucopyranosyloxy)-2,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone ChemIDplus p-phloridzin ChemIDplus p-phlorizin ChemIDplus phloretin-4'-beta-D-glucopyranoside ChEBI phloretin-4'-beta-D-glucoside ChEBI A 5-alkylresorcinol that is resorcinol which is substituted by a heptadecyl group at position 5. It is found in wheat bran. 0 C23H40O2 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 BBGNINPPDHJETF-UHFFFAOYSA-N 348.571 348.30283 C1(=CC(=CC(=C1)CCCCCCCCCCCCCCCCC)O)O AGR:IND601124237 CAS:41442-57-3 FooDB:FDB017915 HMDB:HMDB0038530 LIPID_MAPS_instance:LMPK15030003 PMID:15241924 PMID:17542491 PMID:18297470 PMID:21658963 PMID:28252007 PMID:8579682 Reaxys:2287460 5-heptadecylbenzene-1,3-diol 5-heptadecylresorcinol chebi_ontology 1,3-dihydroxy-5-n-heptadecylbenzene 5-heptadecyl-1,3-benzenediol 5-heptadecyl-1,3-dihydroxybenzene 5-n-heptadecylresorcinol CHEBI:145967 5-heptadecylresorcinol 5-heptadecylresorcinol AGR:IND601124237 Europe PMC CAS:41442-57-3 ChemIDplus LIPID_MAPS_instance:LMPK15030003 LIPID MAPS PMID:15241924 Europe PMC PMID:17542491 Europe PMC PMID:18297470 Europe PMC PMID:21658963 Europe PMC PMID:28252007 Europe PMC PMID:8579682 Europe PMC Reaxys:2287460 Reaxys 5-heptadecylbenzene-1,3-diol IUPAC 5-heptadecylresorcinol ChEBI 1,3-dihydroxy-5-n-heptadecylbenzene ChEBI 5-heptadecyl-1,3-benzenediol ChEBI 5-heptadecyl-1,3-dihydroxybenzene ChEBI 5-n-heptadecylresorcinol LIPID_MAPS A 5-alkylresorcinol that is resorcinol which is substituted by a tricosyl group at position 5. It is found in wheat bran. 0 C29H52O2 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 OHTBGMREZYLZQD-UHFFFAOYSA-N 432.733 432.39673 C1(=CC(=CC(=C1)CCCCCCCCCCCCCCCCCCCCCCC)O)O CAS:70110-60-0 FooDB:FDB017907 HMDB:HMDB0038524 LIPID_MAPS_instance:LMPK15030006 PMID:11140535 PMID:15241924 PMID:18998408 PMID:21658963 PMID:28208738 PMID:30795501 PMID:457611 PMID:7462162 5-tricosylbenzene-1,3-diol 5-tricosylresorcinol chebi_ontology 1,3-dihydroxy-5-n-tricosylbenzene 1,3-dihydroxy-5-tricosylbenzene 5-n-tricosylresorcinol 5-tricosyl-1,3-benzenediol CHEBI:145969 5-tricosylresorcinol 5-tricosylresorcinol CAS:70110-60-0 ChemIDplus LIPID_MAPS_instance:LMPK15030006 LIPID MAPS PMID:11140535 Europe PMC PMID:15241924 Europe PMC PMID:18998408 Europe PMC PMID:21658963 Europe PMC PMID:28208738 Europe PMC PMID:30795501 Europe PMC PMID:457611 Europe PMC PMID:7462162 Europe PMC 5-tricosylbenzene-1,3-diol IUPAC 5-tricosylresorcinol HMDB 1,3-dihydroxy-5-n-tricosylbenzene ChEBI 1,3-dihydroxy-5-tricosylbenzene ChEBI 5-n-tricosylresorcinol LIPID_MAPS 5-tricosyl-1,3-benzenediol ChEBI 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. 0 C16H16O6 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 NJHJXXLBWQXMRO-XJKSGUPXSA-N 304.298 304.09469 C1([C@H]2OC3=C(C[C@@H]2O)C(=CC(=C3)O)O)=CC=C(C(=C1)OC)O CAS:60383-97-3 FooDB:FDB021479 HMDB:HMDB0041507 LIPID_MAPS_instance:LMPK12020142 PMID:10460201 PMID:14611196 PMID:17536823 PMID:18251504 PMID:25612442 PMID:3604252 PMID:6111433 PMID:6861797 PMID: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-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 (+)-catechin-3'-methyl ether CAS:60383-97-3 ChEBI LIPID_MAPS_instance:LMPK12020142 LIPID MAPS PMID:10460201 Europe PMC PMID:14611196 Europe PMC PMID:17536823 Europe PMC PMID:18251504 Europe PMC PMID:25612442 Europe PMC PMID:3604252 Europe PMC PMID:6111433 Europe PMC PMID:6861797 Europe PMC PMID:7669281 Europe PMC (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-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-O-alpha-D-glucopyranosyl-D-mannitol dihydrate and 6-O-alpha-D-glucopyranosyl-D-glucitol in a 1:1 ratio. It is used in the food industry as a sugar substitute and in the pharmaceutical industry as a tabletting excipient. 0 C12H24O11 344.313 344.13186 CHEBI:140428 AGR:IND605400803 AGR:IND605716066 AGR:IND607070168 AGR:IND607703806 CAS:64519-82-0 Chemspider:2299218 PMID:19327398 PMID:21426952 PMID:23225025 PMID:23827942 PMID:24300366 PMID:24996006 PMID:25671493 PMID:27059921 PMID:27321131 PMID:28024614 PMID:29341910 PMID:30267819 PMID:31678381 PMID:32619664 PMID:33011867 PMID:33851132 PMID:33895296 PMID:34925781 PMID:425707 Wikipedia: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 C* PharmIsoMaltidex E 953 E953 GalenIQ IsoMaltidex hydrogenated isomaltulose palatinit palatinitol CHEBI:150326 isomalt isomalt AGR:IND605400803 Europe PMC AGR:IND605716066 Europe PMC AGR:IND607070168 Europe PMC AGR:IND607703806 Europe PMC CAS:64519-82-0 ChemIDplus PMID:19327398 Europe PMC PMID:21426952 Europe PMC PMID:23225025 Europe PMC PMID:23827942 Europe PMC PMID:24300366 Europe PMC PMID:24996006 Europe PMC PMID:25671493 Europe PMC PMID:27059921 Europe PMC PMID:27321131 Europe PMC PMID:28024614 Europe PMC PMID:29341910 Europe PMC PMID:30267819 Europe PMC PMID:31678381 Europe PMC PMID:32619664 Europe PMC PMID:33011867 Europe PMC PMID:33851132 Europe PMC PMID:33895296 Europe PMC PMID:34925781 Europe PMC PMID:425707 Europe PMC 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 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. 0 C20H28O 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 NCYCYZXNIZJOKI-UHFFFAOYSA-N 284.43572 284.21402 [H]C(=O)C=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C MetaCyc:Retinals Reaxys:2055098 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal retinal chebi_ontology CHEBI:15035 retinal Reaxys:2055098 Reaxys 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal IUPAC retinal UniProt A divalent inorganic anion obtained by removal of both protons from hydrogen sulfide. -2 S InChI=1S/S/q-2 UCKMPCXJQFINFW-UHFFFAOYSA-N 32.06600 31.97317 [S--] CAS:18496-25-8 UM-BBD_compID:c0569 sulfanediide sulfide(2-) chebi_ontology S(2-) Sulfide sulphide CHEBI:15138 sulfide(2-) CAS:18496-25-8 ChemIDplus UM-BBD_compID:c0569 UM-BBD sulfanediide IUPAC sulfide(2-) IUPAC S(2-) IUPAC Sulfide ChemIDplus 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. +1 C5H14NO InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1 OEYIOHPDSNJKLS-UHFFFAOYSA-N 104.17080 104.10699 C[N+](C)(C)CCO CHEBI:13985 CHEBI:23212 CHEBI:3665 CHEBI:41524 Beilstein:1736748 CAS:62-49-7 DrugBank:DB00122 Drug_Central:3097 ECMDB:ECMDB00097 Gmelin:324597 HMDB:HMDB0000097 KEGG:C00114 KEGG:D07690 KNApSAcK:C00007298 MetaCyc:CHOLINE PDBeChem:CHT PMID:10930630 PMID:12826235 PMID:12946691 PMID:14972364 PMID:16210714 PMID:17087106 PMID:17283071 PMID:17344490 PMID:18204095 PMID:18230680 PMID:18786517 PMID:18786520 PMID:19246089 PMID:20038853 PMID:20446114 PMID:22770225 PMID:22961562 PMID:23095202 PMID:23616508 PMID:23637565 PMID:23733158 PMID:6420466 PMID:7590654 PMID:9517478 Reaxys:1736748 Wikipedia:Choline YMDB:YMDB00227 2-hydroxy-N,N,N-trimethylethanaminium Choline choline chebi_ontology Bilineurine CHOLINE ION N,N,N-trimethylethanol-ammonium N-trimethylethanolamine trimethylethanolamine CHEBI:15354 choline choline Beilstein:1736748 Beilstein CAS:62-49-7 ChemIDplus CAS:62-49-7 KEGG COMPOUND Drug_Central:3097 DrugCentral Gmelin:324597 Gmelin PMID:10930630 Europe PMC PMID:12826235 Europe PMC PMID:12946691 Europe PMC PMID:14972364 Europe PMC PMID:16210714 Europe PMC PMID:17087106 Europe PMC PMID:17283071 Europe PMC PMID:17344490 Europe PMC PMID:18204095 Europe PMC PMID:18230680 Europe PMC PMID:18786517 Europe PMC PMID:18786520 Europe PMC PMID:19246089 Europe PMC PMID:20038853 Europe PMC PMID:20446114 Europe PMC PMID:22770225 Europe PMC PMID:22961562 Europe PMC PMID:23095202 Europe PMC PMID:23616508 Europe PMC PMID:23637565 Europe PMC PMID:23733158 Europe PMC PMID:6420466 Europe PMC PMID:7590654 Europe PMC PMID:9517478 Europe PMC Reaxys:1736748 Reaxys 2-hydroxy-N,N,N-trimethylethanaminium IUPAC Choline KEGG_COMPOUND choline UniProt Bilineurine KEGG_COMPOUND CHOLINE ION PDBeChem N,N,N-trimethylethanol-ammonium ChEBI N-trimethylethanolamine ChEBI 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. 0 C3H7NO2S InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6) XUJNEKJLAYXESH-UHFFFAOYSA-N 121.15922 121.01975 NC(CS)C(O)=O CHEBI:14061 CHEBI:23508 CHEBI:4050 Beilstein:1721406 CAS:3374-22-9 Gmelin:2933 KEGG:C00736 KNApSAcK:C00001351 KNApSAcK:C00007323 PMID:17439666 PMID:25181601 Reaxys:1721406 Wikipedia:Cysteine Cysteine cysteine chebi_ontology 2-Amino-3-mercaptopropionic acid 2-amino-3-mercaptopropanoic acid 2-amino-3-sulfanylpropanoic acid C Cys Cystein Hcys Zystein cisteina CHEBI:15356 cysteine cysteine Beilstein:1721406 Beilstein CAS:3374-22-9 ChemIDplus CAS:3374-22-9 KEGG COMPOUND CAS:3374-22-9 NIST Chemistry WebBook Gmelin:2933 Gmelin PMID:17439666 Europe PMC PMID:25181601 Europe PMC Reaxys:1721406 Reaxys Cysteine KEGG_COMPOUND cysteine ChEBI 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 Hcys IUPAC Zystein ChEBI cisteina ChEBI A simple monocarboxylic acid containing two carbons. 0 C2H4O2 InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4) QTBSBXVTEAMEQO-UHFFFAOYSA-N 60.05200 60.02113 CC(O)=O CHEBI:22169 CHEBI:2387 CHEBI:40486 Beilstein:506007 CAS:64-19-7 Drug_Central:4211 Gmelin:1380 HMDB:HMDB0000042 KEGG:C00033 KEGG:D00010 KNApSAcK:C00001176 LIPID_MAPS_instance:LMFA01010002 MetaCyc:ACET PDBeChem:ACT PDBeChem:ACY PMID:12005138 PMID:15107950 PMID:16630552 PMID:16774200 PMID:17190852 PMID:19416101 PMID:19469536 PMID:22153255 PMID:22173419 PPDB:1333 Reaxys:506007 Wikipedia:Acetic_acid ACETIC ACID Acetic acid acetic acid chebi_ontology AcOH CH3-COOH CH3CO2H E 260 E-260 E260 Essigsaeure Ethanoic acid Ethylic acid HOAc INS No. 260 MeCO2H MeCOOH Methanecarboxylic acid acide acetique ethoic acid CHEBI:15366 acetic acid acetic acid Beilstein:506007 Beilstein CAS:64-19-7 ChemIDplus CAS:64-19-7 KEGG COMPOUND CAS:64-19-7 NIST Chemistry WebBook Drug_Central:4211 DrugCentral Gmelin:1380 Gmelin LIPID_MAPS_instance:LMFA01010002 LIPID MAPS PMID:12005138 Europe PMC PMID:15107950 Europe PMC PMID:16630552 Europe PMC PMID:16774200 Europe PMC PMID:17190852 Europe PMC PMID:19416101 Europe PMC PMID:19469536 Europe PMC PMID:22153255 Europe PMC PMID:22173419 Europe PMC Reaxys:506007 Reaxys ACETIC ACID PDBeChem Acetic acid KEGG_COMPOUND acetic acid IUPAC AcOH ChEBI 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 acide acetique ChemIDplus ethoic acid ChEBI An oxygen hydride consisting of an oxygen atom that is covalently bonded to two hydrogen atoms 0 H2O InChI=1S/H2O/h1H2 XLYOFNOQVPJJNP-UHFFFAOYSA-N 18.01530 18.01056 [H]O[H] CHEBI:10743 CHEBI:13352 CHEBI:27313 CHEBI:42043 CHEBI:42857 CHEBI:43228 CHEBI:44292 CHEBI:44701 CHEBI:44819 CHEBI:5585 Beilstein:3587155 CAS:7732-18-5 Gmelin:117 HMDB:HMDB0002111 KEGG:C00001 KEGG:D00001 MetaCyc:WATER MolBase:1 PDBeChem:HOH Reaxys:3587155 Wikipedia:Water WATER Water oxidane water chebi_ontology BOUND WATER H2O HOH Wasser [OH2] acqua agua aqua dihydridooxygen dihydrogen oxide eau hydrogen hydroxide CHEBI:15377 water water Beilstein:3587155 Beilstein CAS:7732-18-5 ChemIDplus CAS:7732-18-5 KEGG COMPOUND CAS:7732-18-5 NIST Chemistry WebBook Gmelin:117 Gmelin Reaxys:3587155 Reaxys WATER PDBeChem Water KEGG_COMPOUND oxidane IUPAC water IUPAC BOUND WATER PDBeChem H2O KEGG_COMPOUND H2O UniProt HOH ChEBI Wasser ChEBI [OH2] IUPAC acqua ChEBI agua ChEBI aqua ChEBI dihydridooxygen IUPAC dihydrogen oxide IUPAC eau ChEBI hydrogen hydroxide ChEBI The (R)- enantiomer of camphor. 0 C10H16O 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 DSSYKIVIOFKYAU-XCBNKYQSSA-N 152.23344 152.12012 CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2 CHEBI:10758 CHEBI:16 CHEBI:18442 CHEBI:41334 Beilstein:2042745 CAS:464-49-3 CAS:76-22-2 Gmelin:83276 HMDB:HMDB0059838 KEGG:C00808 KEGG:D06392 KNApSAcK:C00000819 MetaCyc:CPD-862 PDBeChem:CAM PMID:12231778 PMID:24288289 Reaxys:2042745 UM-BBD_compID:c0407 (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one (R)-camphor chebi_ontology (+)-Camphor (+)-bornan-2-one (1R)-(+)-camphor (1R,4R)-camphor (R)-(+)-camphor CAMPHOR Camphor(D) D-Camphor CHEBI:15396 (R)-camphor Beilstein:2042745 Beilstein CAS:464-49-3 ChemIDplus CAS:464-49-3 KEGG COMPOUND CAS:464-49-3 NIST Chemistry WebBook CAS:76-22-2 KEGG COMPOUND Gmelin:83276 Gmelin PMID:12231778 Europe PMC PMID:24288289 Europe PMC Reaxys:2042745 Reaxys UM-BBD_compID:c0407 UM-BBD (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one IUPAC (R)-camphor ChemIDplus (+)-Camphor KEGG_COMPOUND (+)-bornan-2-one ChemIDplus (1R)-(+)-camphor NIST_Chemistry_WebBook (1R,4R)-camphor UniProt (R)-(+)-camphor ChemIDplus CAMPHOR PDBeChem Camphor(D) NIST_Chemistry_WebBook D-Camphor KEGG_COMPOUND 0 C10H16O2 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 DJQYBVLXBVJHMU-PJKMHFRUSA-N 168.23284 168.11503 [H][C@]12CC(=O)[C@](C)(C[C@H]1O)C2(C)C CHEBI:10762 CHEBI:18448 CHEBI:41399 CHEBI:57 Beilstein:2044882 DrugBank:DB02817 KEGG:C03448 LIPID_MAPS_instance:LMPR0102120010 PDBeChem:CAH UM-BBD_compID:c0408 (+)-exo-5-Hydroxycamphor (1R,4R,5R)-5-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one chebi_ontology (1R,4R,5R)-5-hydroxycamphor 5-EXO-HYDROXYCAMPHOR CHEBI:15398 (+)-exo-5-hydroxycamphor (+)-exo-5-hydroxycamphor Beilstein:2044882 Beilstein LIPID_MAPS_instance:LMPR0102120010 LIPID MAPS UM-BBD_compID:c0408 UM-BBD (+)-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 5-EXO-HYDROXYCAMPHOR PDBeChem A carvone having (S) configuration. 0 C10H14O 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 ULDHMXUKGWMISQ-VIFPVBQESA-N 150.21756 150.10447 CC(=C)[C@H]1CC=C(C)C(=O)C1 CHEBI:10759 CHEBI:5 Beilstein:2042970 Beilstein:3588498 Beilstein:6767373 CAS:2244-16-8 Gmelin:637294 KEGG:C11383 KNApSAcK:C00010891 PMID:11380545 Reaxys:2042970 (+)-Carvone (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 (5S)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-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 (+)-carvone Beilstein:2042970 Beilstein Beilstein:3588498 Beilstein Beilstein:6767373 Beilstein CAS:2244-16-8 ChemIDplus CAS:2244-16-8 KEGG COMPOUND CAS:2244-16-8 NIST Chemistry WebBook Gmelin:637294 Gmelin PMID:11380545 Europe PMC Reaxys:2042970 Reaxys (+)-Carvone KEGG_COMPOUND (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 (5S)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one ChemIDplus (S)-(+)-carvone NIST_Chemistry_WebBook (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 Carvol KEGG_COMPOUND Carvone KEGG_COMPOUND d-(+)-carvone NIST_Chemistry_WebBook 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. 0 C10H16O InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3 NDTYTMIUWGWIMO-UHFFFAOYSA-N 152.23344 152.12012 CC(=C)C1CCC(CO)=CC1 CHEBI:14772 CHEBI:18496 CHEBI:8022 CAS:536-59-4 HMDB:HMDB0003634 MetaCyc:Perillyl-Alcohols PMID:10379660 PMID:11840288 PMID:15210838 PMID:23727191 Reaxys:2044612 [4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol perillyl alcohol 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 dihydrocuminyl alcoholn p-Mentha-1,8-dien-7-ol CHEBI:15420 perillyl alcohol CAS:536-59-4 ChemIDplus CAS:536-59-4 NIST Chemistry WebBook PMID:10379660 Europe PMC PMID:11840288 Europe PMC PMID:15210838 Europe PMC PMID:23727191 Europe PMC Reaxys:2044612 Reaxys [4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol IUPAC perillyl alcohol UniProt 1-Hydroxymethyl-4-isopropenyl-1-cyclohexene ChemIDplus 1-perillalcohol NIST_Chemistry_WebBook 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 dihydrocuminyl alcoholn NIST_Chemistry_WebBook p-Mentha-1,8-dien-7-ol ChemIDplus The simplest (and the only achiral) proteinogenic amino acid, with a hydrogen atom as its side chain. 0 C2H5NO2 InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5) DHMQDGOQFOQNFH-UHFFFAOYSA-N 75.06664 75.03203 NCC(O)=O CHEBI:10792 CHEBI:14344 CHEBI:24368 CHEBI:42964 CHEBI:5460 Beilstein:635782 CAS:56-40-6 DrugBank:DB00145 Drug_Central:1319 ECMDB:ECMDB00123 Gmelin:1808 HMDB:HMDB0000123 KEGG:C00037 KEGG:D00011 KNApSAcK:C00001361 MetaCyc:GLY PDBeChem:GLY PMID:10930630 PMID:11019925 PMID:11174716 PMID:11542461 PMID:11806864 PMID:12631515 PMID:12754315 PMID:12770151 PMID:12921899 PMID:15331688 PMID:15388434 PMID:15710237 PMID:16105183 PMID:16151895 PMID:16214212 PMID:16417482 PMID:16444815 PMID:16664855 PMID:16901953 PMID:16918424 PMID:16986325 PMID:16998855 PMID:17154252 PMID:17383967 PMID:17582620 PMID:17970719 PMID:18079355 PMID:18396796 PMID:18440992 PMID:18593588 PMID:18816054 PMID:18840508 PMID:19028609 PMID:19120667 PMID:19449910 PMID:19526731 PMID:19544666 PMID:19738917 PMID:19916621 PMID:19924257 PMID:21751272 PMID:22044190 PMID:22079563 PMID:22234938 PMID:22264337 PMID:22293292 PMID:22401276 PMID:22434786 Reaxys:635782 Wikipedia:Glycine YMDB:YMDB00016 GLYCINE Glycine aminoacetic acid glycine chebi_ontology Aminoacetic acid Aminoessigsaeure G Gly Glycin Glycocoll Glykokoll Glyzin H2N-CH2-COOH Hgly Leimzucker aminoethanoic acid CHEBI:15428 glycine glycine Beilstein:635782 Beilstein CAS:56-40-6 ChemIDplus CAS:56-40-6 KEGG COMPOUND CAS:56-40-6 NIST Chemistry WebBook Drug_Central:1319 DrugCentral Gmelin:1808 Gmelin PMID:10930630 Europe PMC PMID:11019925 Europe PMC PMID:11174716 Europe PMC PMID:11542461 Europe PMC PMID:11806864 Europe PMC PMID:12631515 Europe PMC PMID:12754315 Europe PMC PMID:12770151 Europe PMC PMID:12921899 Europe PMC PMID:15331688 Europe PMC PMID:15388434 Europe PMC PMID:15710237 Europe PMC PMID:16105183 Europe PMC PMID:16151895 Europe PMC PMID:16214212 Europe PMC PMID:16417482 Europe PMC PMID:16444815 Europe PMC PMID:16664855 Europe PMC PMID:16901953 Europe PMC PMID:16918424 Europe PMC PMID:16986325 Europe PMC PMID:16998855 Europe PMC PMID:17154252 Europe PMC PMID:17383967 Europe PMC PMID:17582620 Europe PMC PMID:17970719 Europe PMC PMID:18079355 Europe PMC PMID:18396796 Europe PMC PMID:18440992 Europe PMC PMID:18593588 Europe PMC PMID:18816054 Europe PMC PMID:18840508 Europe PMC PMID:19028609 Europe PMC PMID:19120667 Europe PMC PMID:19449910 Europe PMC PMID:19526731 Europe PMC PMID:19544666 Europe PMC PMID:19738917 Europe PMC PMID:19916621 Europe PMC PMID:19924257 Europe PMC PMID:21751272 Europe PMC PMID:22044190 Europe PMC PMID:22079563 Europe PMC PMID:22234938 Europe PMC PMID:22264337 Europe PMC PMID:22293292 Europe PMC PMID:22401276 Europe PMC PMID:22434786 Europe PMC Reaxys:635782 Reaxys GLYCINE PDBeChem Glycine KEGG_COMPOUND aminoacetic acid IUPAC glycine IUPAC Aminoacetic acid KEGG_COMPOUND Aminoessigsaeure ChEBI G ChEBI Gly KEGG_COMPOUND Glycin ChemIDplus Glycocoll ChemIDplus Glykokoll ChEBI Glyzin ChEBI H2N-CH2-COOH IUPAC Hgly IUPAC Leimzucker ChemIDplus aminoethanoic acid ChEBI aminoethanoic acid JCBN (C12H20O11)n CHEBI:10799 CHEBI:10845 CHEBI:169 CHEBI:18519 CHEBI:24854 CAS:9005-80-5 DrugBank:DB00638 KEGG:C03323 KEGG:D00171 KEGG:G10497 (2->1)-beta-D-fructofuranan Inulin 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 CHEBI:15443 inulin inulin CAS:9005-80-5 ChemIDplus CAS:9005-80-5 KEGG COMPOUND (2->1)-beta-D-fructofuranan IUPAC Inulin KEGG_COMPOUND (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 The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite. 0 C15H14O6 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 PFTAWBLQPZVEMU-DZGCQCFKSA-N 290.26810 290.07904 O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 CHEBI:10862 CHEBI:18 CHEBI:18443 CAS:154-23-4 Drug_Central:629 HMDB:HMDB0002780 KEGG:C06562 KNApSAcK:C00000947 LIPID_MAPS_instance:LMPK12020001 MetaCyc:CPD-1961 PDBeChem:KXN PMID:10617953 PMID:11196148 PMID:1502708 PMID:8224433 PMID:9438556 Reaxys:92761 Wikipedia:Catechin (+)-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 (+)-Catechol (+)-Cyanidan-3-ol (2R,3S)-(+)-Catechin (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 (+)-catechin CAS:154-23-4 ChemIDplus CAS:154-23-4 KEGG COMPOUND Drug_Central:629 DrugCentral LIPID_MAPS_instance:LMPK12020001 LIPID MAPS PMID:10617953 Europe PMC PMID:11196148 Europe PMC PMID:1502708 Europe PMC PMID:8224433 Europe PMC PMID:9438556 Europe PMC Reaxys:92761 Reaxys (+)-Catechin KEGG_COMPOUND (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 (+)-Catechol ChemIDplus (+)-Cyanidan-3-ol ChemIDplus (2R,3S)-(+)-Catechin KEGG_COMPOUND (2R,3S)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol ChEBI (2R,3S)-Catechin KEGG_COMPOUND (2R,3S)-catechin UniProt (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. 0 C20H23N7O7 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 VVIAGPKUTFNRDU-ABLWVSNPSA-N 473.43930 473.16590 [H]C(=O)N1C(CNc2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2nc(N)[nH]c(=O)c12 CHEBI:12127 CHEBI:18607 CHEBI:2057 CAS:58-05-9 DrugBank:DB03256 Drug_Central:1232 KEGG:C03479 KEGG:D07986 LINCS:LSM-5146 Reaxys:101688 Wikipedia: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 N5-Formyl-5,6,7,8-tetrahydrofolic acid N5-Formyltetrahydrofolic acid folinate CHEBI:15640 5-formyltetrahydrofolic acid 5-formyltetrahydrofolic acid CAS:58-05-9 ChemIDplus CAS:58-05-9 KEGG COMPOUND Drug_Central:1232 DrugCentral Reaxys:101688 Reaxys 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 N5-Formyl-5,6,7,8-tetrahydrofolic acid ChemIDplus N5-Formyltetrahydrofolic acid ChemIDplus folinate ChEBI 3,6,9-trihydroxypterocarpan 2,3-dihydrobiochanin A An alpha,omega-dicarboxylic acid resulting from the formal oxidation of each of the terminal methyl groups of butane to the corresponding carboxy group. It is an intermediate metabolite in the citric acid cycle. 0 C4H6O4 InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) KDYFGRWQOYBRFD-UHFFFAOYSA-N 118.08800 118.02661 OC(=O)CCC(O)=O CHEBI:22943 CHEBI:26807 CHEBI:45639 CHEBI:9304 Beilstein:1754069 CAS:110-15-6 DrugBank:DB00139 Drug_Central:2487 ECMDB:ECMDB00254 Gmelin:2785 HMDB:HMDB0000254 KEGG:C00042 KNApSAcK:C00001205 LIPID_MAPS_instance:LMFA01170043 MetaCyc:SUC PDBeChem:SIN PMID:17439666 Reaxys:1754069 Wikipedia: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 acide butanedioique acide succinique acidum succinicum amber acid asuccin spirit of amber CHEBI:15741 succinic acid succinic acid Beilstein:1754069 Beilstein CAS:110-15-6 ChemIDplus CAS:110-15-6 KEGG COMPOUND CAS:110-15-6 NIST Chemistry WebBook Drug_Central:2487 DrugCentral Gmelin:2785 Gmelin LIPID_MAPS_instance:LMFA01170043 LIPID MAPS PMID:17439666 Europe PMC Reaxys:1754069 Reaxys 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 acide butanedioique ChEBI acide succinique ChEBI acidum succinicum ChemIDplus amber acid NIST_Chemistry_WebBook asuccin NIST_Chemistry_WebBook spirit of amber ChEBI A straight-chain, sixteen-carbon, saturated long-chain fatty acid. 0 C16H32O2 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) IPCSVZSSVZVIGE-UHFFFAOYSA-N 256.42410 256.24023 CCCCCCCCCCCCCCCC(O)=O CHEBI:14730 CHEBI:233028 CHEBI:24540 CHEBI:24541 CHEBI:24542 CHEBI:24550 CHEBI:29889 CHEBI:35978 CHEBI:44952 Beilstein:607489 CAS:57-10-3 DrugBank:DB03796 Gmelin:190200 HMDB:HMDB0000220 KEGG:C00249 KEGG:D05341 KNApSAcK:C00001233 KNApSAcK:C00030479 LIPID_MAPS_instance:LMFA01010001 MetaCyc:PALMITATE PDBeChem:PLM PMID:12492626 PMID:15357969 PMID:1589452 PMID:16509590 PMID:16884313 PMID:17439666 PMID:17502136 PMID:20001317 PMID:22735334 PMID:25584012 PMID:28600633 PPDB:1336 Reaxys:607489 Wikipedia: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 hexadecoic acid n-hexadecanoic acid n-hexadecoic acid palmitic acid CHEBI:15756 hexadecanoic acid hexadecanoic acid Beilstein:607489 Beilstein CAS:57-10-3 ChemIDplus CAS:57-10-3 KEGG COMPOUND CAS:57-10-3 NIST Chemistry WebBook Gmelin:190200 Gmelin LIPID_MAPS_instance:LMFA01010001 LIPID MAPS PMID:12492626 Europe PMC PMID:15357969 ChEMBL PMID:1589452 Europe PMC PMID:16509590 ChEMBL PMID:16884313 ChEMBL PMID:17439666 Europe PMC PMID:17502136 ChEMBL PMID:20001317 Europe PMC PMID:22735334 Europe PMC PMID:25584012 Europe PMC PMID:28600633 Europe PMC Reaxys:607489 Reaxys hexadecanoic acid IUPAC 1-Pentadecanecarboxylic acid ChemIDplus 1-hexyldecanoic acid HMDB 16:00 ChEBI C16 ChEBI C16 fatty acid HMDB C16:0 LIPID_MAPS CH3-[CH2]14-COOH IUPAC FA 16:0 ChEBI Hexadecanoate KEGG_COMPOUND Hexadecylic acid HMDB Hexadecylic acid KEGG_COMPOUND Hexaectylic acid HMDB PALMITIC ACID PDBeChem Palmitate KEGG_COMPOUND Palmitic acid KEGG_COMPOUND Palmitinic acid HMDB Palmitinsaeure ChEBI Pentadecanecarboxylic acid ChemIDplus cetylic acid KEGG_COMPOUND hexadecoic acid ChEBI n-hexadecanoic acid NIST_Chemistry_WebBook n-hexadecoic acid NIST_Chemistry_WebBook palmitic acid ChEBI A primary amino compound obtained by formal decarboxylation of the amino acid tyrosine. 0 C8H11NO InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2 DZGWFCGJZKJUFP-UHFFFAOYSA-N 137.17900 137.08406 NCCc1ccc(O)cc1 CHEBI:15276 CHEBI:27174 CHEBI:9799 Beilstein:1099914 CAS:51-67-2 Drug_Central:2784 Gmelin:82946 HMDB:HMDB0000306 KEGG:C00483 KNApSAcK:C00001435 LINCS:LSM-19016 MetaCyc:TYRAMINE PDBeChem:AEF PMID:11361052 PMID:11919655 PMID:12183041 PMID:12707242 PMID:12811595 PMID:15000446 PMID:15848803 PMID:15932098 PMID:18422653 PMID:18970430 PMID:19137318 PMID:19189084 PMID:21570963 PMID:21628600 PMID:21651557 PMID:21679153 PMID:21850574 PMID:21909937 PMID:22735334 PMID:3137238 PMID:319927 PMID:6501508 PMID:9282832 PMID:9731223 Reaxys:1099914 Wikipedia:Tyramine 4-(2-aminoethyl)phenol Tyramine chebi_ontology 2-(p-Hydroxyphenyl)ethylamine 4-Hydroxy-beta-phenylethylamine 4-Hydroxyphenylethylamine 4-hydroxyphenethylamine Tyramin beta-(4-Hydroxyphenyl)ethylamine p-(2-Aminoethyl)phenol p-(2-aminoethyl)phenol p-hydroxyphenethylamine p-hydroxyphenylethylamine p-tyramine CHEBI:15760 tyramine tyramine Beilstein:1099914 ChemIDplus CAS:51-67-2 ChemIDplus CAS:51-67-2 KEGG COMPOUND CAS:51-67-2 NIST Chemistry WebBook Drug_Central:2784 DrugCentral Gmelin:82946 Gmelin PMID:11361052 Europe PMC PMID:11919655 Europe PMC PMID:12183041 Europe PMC PMID:12707242 Europe PMC PMID:12811595 Europe PMC PMID:15000446 Europe PMC PMID:15848803 Europe PMC PMID:15932098 Europe PMC PMID:18422653 Europe PMC PMID:18970430 Europe PMC PMID:19137318 Europe PMC PMID:19189084 Europe PMC PMID:21570963 Europe PMC PMID:21628600 Europe PMC PMID:21651557 Europe PMC PMID:21679153 Europe PMC PMID:21850574 Europe PMC PMID:21909937 Europe PMC PMID:22735334 Europe PMC PMID:3137238 Europe PMC PMID:319927 Europe PMC PMID:6501508 Europe PMC PMID:9282832 Europe PMC PMID:9731223 Europe PMC Reaxys:1099914 Reaxys 4-(2-aminoethyl)phenol IUPAC Tyramine KEGG_COMPOUND 2-(p-Hydroxyphenyl)ethylamine KEGG_COMPOUND 4-Hydroxy-beta-phenylethylamine HMDB 4-Hydroxyphenylethylamine HMDB 4-hydroxyphenethylamine ChEBI Tyramin ChemIDplus 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. 0 C10H6O3 InChI=1S/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H KQPYUDDGWXQXHS-UHFFFAOYSA-N 174.15284 174.03169 Oc1cccc2C(=O)C=CC(=O)c12 CHEBI:12130 CHEBI:20574 CHEBI:2062 Beilstein:1909764 CAS:481-39-0 Gmelin:219094 KEGG:C03840 KNApSAcK:C00000144 PDBeChem:JUG PMID:19597959 PMID:23163769 PMID:27322260 PMID:27600097 PMID:27816681 PMID:28069455 PMID:28166217 Reaxys:1909764 5-hydroxy-1,4-naphthoquinone Juglone juglone chebi_ontology 5-Hydroxy-1,4-naphthoquinone 5-hydroxy-1,4-naphthalenedione 8-hydroxy-1,4-naphthoquinone CHEBI:15794 juglone juglone Beilstein:1909764 Beilstein CAS:481-39-0 ChemIDplus CAS:481-39-0 KEGG COMPOUND CAS:481-39-0 NIST Chemistry WebBook Gmelin:219094 Gmelin PMID:19597959 Europe PMC PMID:23163769 Europe PMC PMID:27322260 Europe PMC PMID:27600097 Europe PMC PMID:27816681 Europe PMC PMID:28069455 Europe PMC PMID:28166217 Europe PMC Reaxys:1909764 Reaxys 5-hydroxy-1,4-naphthoquinone IUPAC Juglone KEGG_COMPOUND juglone UniProt 5-Hydroxy-1,4-naphthoquinone KEGG_COMPOUND 5-hydroxy-1,4-naphthalenedione ChemIDplus 8-hydroxy-1,4-naphthoquinone ChemIDplus A long-chain fatty acid that is a C20, polyunsaturated fatty acid having four (Z)-double bonds at positions 5, 8, 11 and 14. 0 C20H32O2 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- YZXBAPSDXZZRGB-DOFZRALJSA-N 304.46690 304.24023 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O CHEBI:22608 CHEBI:2799 CHEBI:40501 Beilstein:1913991 CAS:506-32-1 DrugBank:DB04557 Gmelin:58972 HMDB:HMDB0001043 KEGG:C00219 KNApSAcK:C00000388 LIPID_MAPS_instance:LMFA01030001 MetaCyc:ARACHIDONIC_ACID PDBeChem:ACD PMID:15129302 PMID:18931599 PMID:18973997 PMID:25584012 PMID:2820055 Reaxys:1913991 Wikipedia:Arachidonic_acid (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid ARACHIDONIC ACID Arachidonic acid chebi_ontology (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoic acid (5Z,8Z,11Z,14Z)-Icosatetraenoic acid AA ARA Arachidonate 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 arachidonic acid Beilstein:1913991 Beilstein CAS:506-32-1 ChemIDplus CAS:506-32-1 KEGG COMPOUND CAS:506-32-1 NIST Chemistry WebBook Gmelin:58972 Gmelin LIPID_MAPS_instance:LMFA01030001 LIPID MAPS PMID:15129302 Europe PMC PMID:18931599 Europe PMC PMID:18973997 Europe PMC PMID:25584012 Europe PMC PMID:2820055 Europe PMC Reaxys:1913991 Reaxys (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid IUPAC ARACHIDONIC ACID PDBeChem Arachidonic acid KEGG_COMPOUND (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoic acid NIST_Chemistry_WebBook (5Z,8Z,11Z,14Z)-Icosatetraenoic acid KEGG_COMPOUND AA ChEBI ARA ChEBI Arachidonate 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 -1 Br InChI=1S/BrH/h1H/p-1 CPELXLSAUQHCOX-UHFFFAOYSA-M 79.90400 78.91889 [Br-] CHEBI:13918 CHEBI:3178 CHEBI:49515 Beilstein:3587179 CAS:24959-67-9 Gmelin:14908 KEGG:C00720 KEGG:C01324 PDBeChem:BR Bromide bromide bromide(1-) chebi_ontology BROMIDE ION Br(-) Br- bromine anion CHEBI:15858 bromide bromide Beilstein:3587179 Beilstein CAS:24959-67-9 ChemIDplus CAS:24959-67-9 KEGG COMPOUND CAS:24959-67-9 NIST Chemistry WebBook Gmelin:14908 Gmelin Bromide KEGG_COMPOUND bromide IUPAC bromide UniProt bromide(1-) IUPAC BROMIDE ION PDBeChem Br(-) IUPAC Br- KEGG_COMPOUND bromine anion NIST_Chemistry_WebBook 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. 0 C15H10O6 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 IQPNAANSBPBGFQ-UHFFFAOYSA-N 286.239 286.04774 OC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC=C(O)C(O)=C1 CHEBI:12082 CHEBI:14536 CHEBI:25086 CHEBI:6578 CAS:491-70-3 Chemspider:4444102 DrugBank:DB15584 FooDB:FDB013255 HMDB:HMDB0005800 KEGG:C01514 KNApSAcK:C00000674 LINCS:LSM-5229 LIPID_MAPS_instance:LMPK12110006 MetaCyc:5734-TETRAHYDROXYFLAVONE PDBeChem:LU2 PMID:11478688 PMID:11897650 PMID:14574115 PMID:18720166 PMID:18946424 PMID:18991571 PMID:19263826 PMID:19509250 PMID:19854181 PMID:21899269 PMID:22391103 PMID:22749133 PMID:22794353 PMID:22842046 PMID:23035972 PMID:23229294 PMID:23574272 PMID:26020516 PMID:26322379 PMID:27595800 PMID:27764981 PMID:27853236 PMID:27878246 PMID:27879665 PMID:27886116 PMID:27919958 PMID:27927066 PMID:27959422 PMID:28004344 PMID:28029146 PMID:28031430 PMID:28035396 PMID:28067377 PMID:28069121 PMID:28071803 PMID:28090531 PMID:28096694 PMID:28101184 PMID:28101223 PMID:28110189 PMID:28111945 PMID:28112209 PMID:28113103 PMID:28166217 PMID:29423013 PMID:30624931 PMID:32883638 Reaxys:292084 Wikipedia:Luteolin 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one Luteolin chebi_ontology 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-benzopyrone 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one 3',4',5,7-Tetrahydroxyflavone 5,7,3',4'-Tetrahydroxyflavone Luteolol Salifazide digitoflavone flacitran CHEBI:15864 luteolin luteolin CAS:491-70-3 ChemIDplus CAS:491-70-3 NIST Chemistry WebBook LIPID_MAPS_instance:LMPK12110006 LIPID MAPS PMID:11478688 Europe PMC PMID:11897650 Europe PMC PMID:14574115 Europe PMC PMID:18720166 Europe PMC PMID:18946424 Europe PMC PMID:18991571 Europe PMC PMID:19263826 Europe PMC PMID:19509250 Europe PMC PMID:19854181 Europe PMC PMID:21899269 Europe PMC PMID:22391103 Europe PMC PMID:22749133 Europe PMC PMID:22794353 Europe PMC PMID:22842046 Europe PMC PMID:23035972 Europe PMC PMID:23229294 Europe PMC PMID:23574272 Europe PMC PMID:26020516 Europe PMC PMID:26322379 Europe PMC PMID:27595800 Europe PMC PMID:27764981 Europe PMC PMID:27853236 Europe PMC PMID:27878246 Europe PMC PMID:27879665 Europe PMC PMID:27886116 Europe PMC PMID:27919958 Europe PMC PMID:27927066 Europe PMC PMID:27959422 Europe PMC PMID:28004344 Europe PMC PMID:28029146 Europe PMC PMID:28031430 Europe PMC PMID:28035396 Europe PMC PMID:28067377 Europe PMC PMID:28069121 Europe PMC PMID:28071803 Europe PMC PMID:28090531 Europe PMC PMID:28096694 Europe PMC PMID:28101184 Europe PMC PMID:28101223 Europe PMC PMID:28110189 Europe PMC PMID:28111945 Europe PMC PMID:28112209 Europe PMC PMID:28113103 Europe PMC PMID:28166217 Europe PMC PMID:29423013 Europe PMC PMID:30624931 Europe PMC PMID:32883638 Europe PMC Reaxys:292084 Reaxys 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one IUPAC Luteolin KEGG_COMPOUND 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-benzopyrone ChemIDplus 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one ChemIDplus 3',4',5,7-Tetrahydroxyflavone KEGG_COMPOUND 5,7,3',4'-Tetrahydroxyflavone 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). 0 C19H31OR 275.450 275.23749 C12C(C3C(C(CC3)*)(C)CC1)CCC4C2(CCC(C4)O)C CHEBI:13688 CHEBI:15114 CHEBI:26771 CHEBI:9266 KEGG:C00370 LIPID_MAPS_class:LMST01 MetaCyc:Sterols Wikipedia:Sterol Sterol sterols chebi_ontology 3-hydroxysteroids a sterol CHEBI:15889 sterol sterol LIPID_MAPS_class:LMST01 LIPID MAPS Sterol KEGG_COMPOUND sterols IUPAC 3-hydroxysteroids ChEBI a sterol UniProt 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. 0 C2H7NO3S InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) XOAAWQZATWQOTB-UHFFFAOYSA-N 125.148 125.01466 C(CS(O)(=O)=O)N CHEBI:15195 CHEBI:26852 CHEBI:45877 CHEBI:9406 Beilstein:1751215 CAS:107-35-7 DrugBank:DB01956 Drug_Central:4486 Gmelin:82121 HMDB:HMDB0000251 KEGG:C00245 KEGG:D00047 KNApSAcK:C00048188 MetaCyc:TAURINE PDBeChem:TAU PMID:10098958 PMID:10325611 PMID:10349454 PMID:10827156 PMID:11162030 PMID:11842876 PMID:11918831 PMID:11931837 PMID:12297216 PMID:12499349 PMID:12834252 PMID:14992292 PMID:15503229 PMID:15780050 PMID:15911239 PMID:16169526 PMID:16444816 PMID:16923232 PMID:17053427 PMID:17081118 PMID:17875433 PMID:17997039 PMID:18060526 PMID:18171928 PMID:19074966 PMID:19212411 PMID:19309105 PMID:19940987 PMID:2122710 PMID:21761941 PMID:22770225 PMID:2370482 PMID:24027187 PMID:2494044 PMID:27291853 PMID:27334436 PMID:27345710 PMID:27380030 PMID:27412799 PMID:27471162 PMID:27535560 PMID:3106924 PMID:3393260 PMID:6198473 PMID:7588651 PMID:8692051 PMID:8818047 PMID:9635063 Reaxys:1751215 Wikipedia:Taurine 2-aminoethanesulfonic acid Taurine chebi_ontology 2-Aminoethanesulfonic acid 2-aminoethyl sulfonate Aminoethylsulfonic acid beta-aminoethylsulfonic acid CHEBI:15891 taurine taurine Beilstein:1751215 Beilstein CAS:107-35-7 ChemIDplus CAS:107-35-7 KEGG COMPOUND CAS:107-35-7 NIST Chemistry WebBook Drug_Central:4486 DrugCentral Gmelin:82121 Gmelin PMID:10098958 Europe PMC PMID:10325611 Europe PMC PMID:10349454 Europe PMC PMID:10827156 Europe PMC PMID:11162030 Europe PMC PMID:11842876 Europe PMC PMID:11918831 Europe PMC PMID:11931837 Europe PMC PMID:12297216 Europe PMC PMID:12499349 Europe PMC PMID:12834252 Europe PMC PMID:14992292 Europe PMC PMID:15503229 Europe PMC PMID:15780050 Europe PMC PMID:15911239 Europe PMC PMID:16169526 Europe PMC PMID:16444816 Europe PMC PMID:16923232 Europe PMC PMID:17053427 Europe PMC PMID:17081118 Europe PMC PMID:17875433 Europe PMC PMID:17997039 Europe PMC PMID:18060526 Europe PMC PMID:18171928 Europe PMC PMID:19074966 Europe PMC PMID:19212411 Europe PMC PMID:19309105 Europe PMC PMID:19940987 Europe PMC PMID:2122710 Europe PMC PMID:21761941 Europe PMC PMID:22770225 Europe PMC PMID:2370482 Europe PMC PMID:24027187 Europe PMC PMID:2494044 Europe PMC PMID:27291853 Europe PMC PMID:27334436 Europe PMC PMID:27345710 Europe PMC PMID:27380030 Europe PMC PMID:27412799 Europe PMC PMID:27471162 Europe PMC PMID:27535560 Europe PMC PMID:3106924 Europe PMC PMID:3393260 Europe PMC PMID:6198473 Europe PMC PMID:7588651 Europe PMC PMID:8692051 Europe PMC PMID:8818047 Europe PMC PMID:9635063 Europe PMC Reaxys:1751215 Reaxys 2-aminoethanesulfonic acid IUPAC Taurine KEGG_COMPOUND 2-Aminoethanesulfonic acid KEGG_COMPOUND 2-aminoethyl sulfonate IUBMB Aminoethylsulfonic acid KEGG_COMPOUND beta-aminoethylsulfonic acid NIST_Chemistry_WebBook A triterpenoid saponin that is the glucosiduronide derivative of 3beta-hydroxy-11-oxoolean-12-en-30-oic acid. 0 C42H62O16 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 LPLVUJXQOOQHMX-QWBHMCJMSA-N 822.93210 822.40379 [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O CHEBI:24418 CHEBI:5508 Beilstein:77922 CAS:1405-86-3 Drug_Central:1325 HMDB:HMDB0029843 KEGG:C02284 LIPID_MAPS_instance:LMPR0106150013 MetaCyc:GLYCYRRHIZINATE PMID:11282481 PMID:15013279 PMID:24497916 Reaxys:77922 Wikipedia: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 Glycyrrhizic acid Glycyrrhizin glycyrrhizic acid CHEBI:15939 glycyrrhizinic acid glycyrrhizinic acid Beilstein:77922 Beilstein CAS:1405-86-3 ChemIDplus CAS:1405-86-3 KEGG COMPOUND Drug_Central:1325 DrugCentral LIPID_MAPS_instance:LMPR0106150013 LIPID MAPS PMID:11282481 Europe PMC PMID:15013279 Europe PMC PMID:24497916 Europe PMC Reaxys:77922 Reaxys 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 Glycyrrhizic acid KEGG_COMPOUND Glycyrrhizin KEGG_COMPOUND glycyrrhizic acid UniProt A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group. 0 C6H5NO2 InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) PVNIIMVLHYAWGP-UHFFFAOYSA-N 123.10944 123.03203 OC(=O)c1cccnc1 CHEBI:25538 CHEBI:44319 CHEBI:7559 AGR:IND607088605 Beilstein:109591 CAS:59-67-6 Chemspider:913 DrugBank:DB00627 Drug_Central:2835 FooDB:FDB001014 Gmelin:3340 HMDB:HMDB0001488 KEGG:C00253 KEGG:D00049 KNApSAcK:C00000208 LINCS:LSM-4676 MetaCyc:NIACINE PDBeChem:NIO PMID:10540864 PMID:113218 PMID:12563315 PMID:12789870 PMID:135660 PMID:14550884 PMID:15037193 PMID:15183629 PMID:15205990 PMID:15311728 PMID:15627518 PMID:15651982 PMID:16018787 PMID:16172771 PMID:16322787 PMID:16400392 PMID:16449845 PMID:16767301 PMID:16877271 PMID:16945375 PMID:18037924 PMID:182198 PMID:186078 PMID:18993152 PMID:18996527 PMID:19369827 PMID:19592242 PMID:19678716 PMID:19779335 PMID:20979384 PMID:21632263 PMID:22116693 PMID:22155410 PMID:22229411 PMID:22366213 PMID:22458880 PMID:22770225 PMID:24029555 PMID:24568240 PMID:24675661 PMID:24848081 PMID:24975217 PMID:25040591 PMID:25241762 PMID:25429652 PMID:32954525 PMID:33273654 PMID:33932650 PMID:34066686 PMID:34085526 PMID:34117670 PMID:4033386 PMID:4259917 PMID:582105 PMID:699281 PMID:7217784 PMID:7581845 PMID:8306147 PMID:8423912 PMID:8679452 PMID:9107536 Reaxys:109591 Wikipedia:Niacin NICOTINIC ACID Nicotinic acid nicotinic acid pyridine-3-carboxylic acid chebi_ontology 3-Pyridylcarboxylic acid 3-carboxylpyridine 3-carboxypyridine 3-pyridinecarboxylic acid Niacin Niacor Niaspan 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-beta-carboxylic acid pyridine-carboxylique-3 vitamin B3 CHEBI:15940 nicotinic acid nicotinic acid AGR:IND607088605 Europe PMC Beilstein:109591 Beilstein CAS:59-67-6 ChemIDplus CAS:59-67-6 KEGG COMPOUND CAS:59-67-6 NIST Chemistry WebBook Drug_Central:2835 DrugCentral Gmelin:3340 Gmelin PMID:10540864 Europe PMC PMID:113218 Europe PMC PMID:12563315 Europe PMC PMID:12789870 Europe PMC PMID:135660 Europe PMC PMID:14550884 Europe PMC PMID:15037193 Europe PMC PMID:15183629 Europe PMC PMID:15205990 Europe PMC PMID:15311728 Europe PMC PMID:15627518 Europe PMC PMID:15651982 Europe PMC PMID:16018787 Europe PMC PMID:16172771 Europe PMC PMID:16322787 Europe PMC PMID:16400392 Europe PMC PMID:16449845 Europe PMC PMID:16767301 Europe PMC PMID:16877271 Europe PMC PMID:16945375 Europe PMC PMID:18037924 Europe PMC PMID:182198 Europe PMC PMID:186078 Europe PMC PMID:18993152 Europe PMC PMID:18996527 Europe PMC PMID:19369827 Europe PMC PMID:19592242 Europe PMC PMID:19678716 Europe PMC PMID:19779335 Europe PMC PMID:20979384 Europe PMC PMID:21632263 Europe PMC PMID:22116693 Europe PMC PMID:22155410 Europe PMC PMID:22229411 Europe PMC PMID:22366213 Europe PMC PMID:22458880 Europe PMC PMID:22770225 Europe PMC PMID:24029555 Europe PMC PMID:24568240 Europe PMC PMID:24675661 Europe PMC PMID:24848081 Europe PMC PMID:24975217 Europe PMC PMID:25040591 Europe PMC PMID:25241762 Europe PMC PMID:25429652 Europe PMC PMID:32954525 Europe PMC PMID:33273654 Europe PMC PMID:33932650 Europe PMC PMID:34066686 Europe PMC PMID:34085526 Europe PMC PMID:34117670 Europe PMC PMID:4033386 Europe PMC PMID:4259917 Europe PMC PMID:582105 Europe PMC PMID:699281 Europe PMC PMID:7217784 Europe PMC PMID:7581845 Europe PMC PMID:8306147 Europe PMC PMID:8423912 Europe PMC PMID:8679452 Europe PMC PMID:9107536 Europe PMC Reaxys:109591 Reaxys 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_Chemistry_WebBook 3-pyridinecarboxylic acid KEGG_COMPOUND Niacin KEGG_COMPOUND Niacor KEGG_DRUG Niaspan KEGG_DRUG Nicotinsaure ChemIDplus Nikotinsaeure ChEBI P.P. factor NIST_Chemistry_WebBook PP factor NIST_Chemistry_WebBook acide nicotinique WHO_MedNet acido nicotinico WHO_MedNet acidum nicotinicum WHO_MedNet anti-pellagra vitamin NIST_Chemistry_WebBook beta-pyridinecarboxylic acid ChEBI m-pyridinecarboxylic acid NIST_Chemistry_WebBook nicotinic acid WHO_MedNet pellagra preventive factor NIST_Chemistry_WebBook pyridine-beta-carboxylic acid NIST_Chemistry_WebBook pyridine-carboxylique-3 ChemIDplus vitamin B3 ChEBI An acyclic carotene commonly obtained from tomatoes and other red fruits. 0 C40H56 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+ OAIJSZIZWZSQBC-GYZMGTAESA-N 536.87264 536.43820 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 CHEBI:14541 CHEBI:26367 CHEBI:43789 CHEBI:6596 Beilstein:1730097 CAS:502-65-8 COMe:MOL000048 Drug_Central:4617 HMDB:HMDB0003000 KEGG:C05432 KNApSAcK:C00000911 LIPID_MAPS_instance:LMPR01070257 MetaCyc:CPD1F-114 PDBeChem:LYC PMID:10443333 PMID:10493308 PMID:10620348 PMID:10720168 PMID:10837319 PMID:11117277 PMID:11137891 PMID:12239422 PMID:12726756 PMID:12792623 PMID:12910307 PMID:13129444 PMID:15054415 PMID:15065899 PMID:15341191 PMID:1550343 PMID:15830922 PMID:16194683 PMID:16549453 PMID:24397737 PMID:7616301 PMID:9100211 Reaxys:1730097 Wikipedia:Lycopene LYCOPENE 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 all-trans-lycopene CHEBI:15948 lycopene lycopene Beilstein:1730097 Beilstein CAS:502-65-8 ChemIDplus CAS:502-65-8 KEGG COMPOUND Drug_Central:4617 DrugCentral LIPID_MAPS_instance:LMPR01070257 LIPID MAPS PMID:10443333 Europe PMC PMID:10493308 Europe PMC PMID:10620348 Europe PMC PMID:10720168 Europe PMC PMID:10837319 Europe PMC PMID:11117277 Europe PMC PMID:11137891 Europe PMC PMID:12239422 Europe PMC PMID:12726756 Europe PMC PMID:12792623 Europe PMC PMID:12910307 Europe PMC PMID:13129444 Europe PMC PMID:15054415 Europe PMC PMID:15065899 Europe PMC PMID:15341191 Europe PMC PMID:1550343 Europe PMC PMID:15830922 Europe PMC PMID:16194683 Europe PMC PMID:16549453 Europe PMC PMID:24397737 Europe PMC PMID:7616301 Europe PMC PMID:9100211 Europe PMC Reaxys:1730097 Reaxys LYCOPENE PDBeChem Lycopene KEGG_COMPOUND 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 all-trans-lycopene ChemIDplus all-trans-lycopene UniProt An organic heterobicyclic compound that consists of 2-oxohexahydro-1H-thieno[3,4-d]imidazole having a valeric acid substituent attached to the tetrahydrothiophene ring. The parent of the class of biotins. 0 C10H16N2O3S 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 YBJHBAHKTGYVGT-ZKWXMUAHSA-N 244.31172 244.08816 [H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2 CHEBI:13905 CHEBI:22882 CHEBI:22884 CHEBI:3108 CHEBI:41236 Beilstein:86838 CAS:58-85-5 COMe:MOL000144 Chemspider:149962 DrugBank:DB00121 Drug_Central:373 FooDB:FDB014510 Gmelin:1918703 HMDB:HMDB0000030 KEGG:C00120 KEGG:D00029 KNApSAcK:C00000756 LINCS:LSM-3994 MetaCyc:BIOTIN PDBeChem:BTN PMCID:PMC8089577 PMID:10064317 PMID:10215065 PMID:10577274 PMID:11435506 PMID:11481419 PMID:11800048 PMID:12055344 PMID:12070309 PMID:12603856 PMID:12803839 PMID:15012185 PMID:15202718 PMID:15272000 PMID:15690449 PMID:15863846 PMID:15899401 PMID:15992684 PMID:16011464 PMID:16195795 PMID:16419467 PMID:16676358 PMID:16677798 PMID:16704206 PMID:16769720 PMID:17297119 PMID:1814646 PMID:18202531 PMID:18452485 PMID:18509457 PMID:19212411 PMID:19319844 PMID:19727438 PMID:19928962 PMID:20967359 PMID:20974274 PMID:2100006 PMID:21248194 PMID:21356565 PMID:21373679 PMID:21596550 PMID:21871906 PMID:25515858 PMID:33346513 PMID:33461365 PMID:34077272 PMID:8333586 PMID:8750932 PMID:9022537 PMID:9038855 PMID:9094878 PMID:9164991 PMID:9176832 PMID:9371938 PMID:9416479 Reaxys:86838 Wikipedia:Biotin 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid BIOTIN 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 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 biotin Beilstein:86838 Beilstein CAS:58-85-5 ChemIDplus CAS:58-85-5 KEGG COMPOUND CAS:58-85-5 NIST Chemistry WebBook Drug_Central:373 DrugCentral Gmelin:1918703 Gmelin PMCID:PMC8089577 Europe PMC PMID:10064317 Europe PMC PMID:10215065 Europe PMC PMID:10577274 Europe PMC PMID:11435506 Europe PMC PMID:11481419 Europe PMC PMID:11800048 Europe PMC PMID:12055344 Europe PMC PMID:12070309 Europe PMC PMID:12603856 Europe PMC PMID:12803839 Europe PMC PMID:15012185 Europe PMC PMID:15202718 Europe PMC PMID:15272000 Europe PMC PMID:15690449 Europe PMC PMID:15863846 Europe PMC PMID:15899401 Europe PMC PMID:15992684 Europe PMC PMID:16011464 Europe PMC PMID:16195795 Europe PMC PMID:16419467 Europe PMC PMID:16676358 Europe PMC PMID:16677798 Europe PMC PMID:16704206 Europe PMC PMID:16769720 Europe PMC PMID:17297119 Europe PMC PMID:1814646 Europe PMC PMID:18202531 Europe PMC PMID:18452485 Europe PMC PMID:18509457 Europe PMC PMID:19212411 Europe PMC PMID:19319844 Europe PMC PMID:19727438 Europe PMC PMID:19928962 Europe PMC PMID:20967359 Europe PMC PMID:20974274 Europe PMC PMID:2100006 Europe PMC PMID:21248194 Europe PMC PMID:21356565 Europe PMC PMID:21373679 Europe PMC PMID:21596550 Europe PMC PMID:21871906 Europe PMC PMID:25515858 Europe PMC PMID:33346513 Europe PMC PMID:33461365 Europe PMC PMID:34077272 Europe PMC PMID:8333586 Europe PMC PMID:8750932 Europe PMC PMID:9022537 Europe PMC PMID:9038855 Europe PMC PMID:9094878 Europe PMC PMID:9164991 Europe PMC PMID:9176832 Europe PMC PMID:9371938 Europe PMC PMID:9416479 Europe PMC Reaxys:86838 Reaxys 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid IUPAC BIOTIN PDBeChem (+)-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 Coenzyme R KEGG_COMPOUND D-(+)-biotin NIST_Chemistry_WebBook 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_Chemistry_WebBook A mannose with D-configuration. 0 C6H12O6 180.15588 180.06339 CHEBI:12999 CHEBI:21057 D-manno-hexose D-mannose chebi_ontology CHEBI:16024 D-mannose D-mannose D-manno-hexose IUPAC D-mannose IUPAC A class of glycerophospholipids in which a phosphatidyl group is esterified to the hydroxy group of ethanolamine. 0 C7H12NO8PR2 269.146 269.03005 O(P(=O)(OCCN)O)CC(OC(*)=O)COC(*)=O CHEBI:12701 CHEBI:14803 CHEBI:26030 CHEBI:26031 CHEBI:7661 CHEBI:8129 DrugBank:DB04327 HMDB:HMDB0060501 KEGG:C00350 LIPID_MAPS_instance:LMGP02010000 PMID:10540156 PMID:11042504 PMID:11159918 PMID:11829744 PMID:12139474 PMID:15653902 PMID:16037249 PMID:16303767 PMID:16620109 PMID:18034796 PMID:18259190 PMID:18398168 PMID:18462396 PMID:18570887 PMID:18957134 PMID:19393163 PMID:23354482 PMID:23369752 PMID:23543734 PMID:3196084 PMID:7980848 Wikipedia:Phosphatidylethanolamine 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 PtdEtn phosphatidylethanolamines CHEBI:16038 phosphatidylethanolamine phosphatidylethanolamine LIPID_MAPS_instance:LMGP02010000 LIPID MAPS PMID:10540156 Europe PMC PMID:11042504 Europe PMC PMID:11159918 Europe PMC PMID:11829744 Europe PMC PMID:12139474 Europe PMC PMID:15653902 Europe PMC PMID:16037249 Europe PMC PMID:16303767 Europe PMC PMID:16620109 Europe PMC PMID:18034796 Europe PMC PMID:18259190 Europe PMC PMID:18398168 Europe PMC PMID:18462396 Europe PMC PMID:18570887 Europe PMC PMID:18957134 Europe PMC PMID:19393163 Europe PMC PMID:23354482 Europe PMC PMID:23369752 Europe PMC PMID:23543734 Europe PMC PMID:3196084 Europe PMC PMID:7980848 Europe PMC Phosphatidylethanolamine KEGG_COMPOUND phosphatidyl(amino)ethanols IUPAC phosphatidylethanolamines IUPAC (3-Phosphatidyl)-ethanolamine KEGG_COMPOUND (3-Phosphatidyl)ethanolamine KEGG_COMPOUND 1,2-diacyl-sn-glycero-3-phosphoethanolamine LIPID_MAPS 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 PtdEtn ChEBI phosphatidylethanolamines ChEBI A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 3 is substituted by a 2-hydroxyphenyl group. 0 C9H10O3 InChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12) CJBDUOMQLFKVQC-UHFFFAOYSA-N 166.17390 166.06299 OC(=O)CCc1ccccc1O CHEBI:1422 CHEBI:19921 CHEBI:19922 Beilstein:1681601 CAS:495-78-3 KEGG:C01198 KNApSAcK:C00002756 MetaCyc:MELILOTATE PMID:14243380 PMID:14269315 PMID:4192639 PMID:7483862 PMID:7839702 Reaxys:1681601 UM-BBD_compID:c0398 3-(2-hydroxyphenyl)propanoic acid chebi_ontology 2-hydroxybenzenepropanoic acid 3-(2-Hydroxyphenyl)propionic acid 3-(2-hydroxyphenyl)propionic acid 3-(o-hydroxyphenyl) propionic acid melilotic acid o-Hydroxyphenylpropionic acid CHEBI:16104 3-(2-hydroxyphenyl)propanoic acid 3-(2-hydroxyphenyl)propanoic acid Beilstein:1681601 Beilstein CAS:495-78-3 ChemIDplus CAS:495-78-3 KEGG COMPOUND PMID:14243380 Europe PMC PMID:14269315 Europe PMC PMID:4192639 Europe PMC PMID:7483862 Europe PMC PMID:7839702 Europe PMC Reaxys:1681601 Reaxys UM-BBD_compID:c0398 UM-BBD 3-(2-hydroxyphenyl)propanoic acid IUPAC 2-hydroxybenzenepropanoic acid ChemIDplus 3-(2-Hydroxyphenyl)propionic acid KEGG_COMPOUND 3-(2-hydroxyphenyl)propionic acid MetaCyc 3-(o-hydroxyphenyl) propionic acid MetaCyc melilotic acid ChEBI o-Hydroxyphenylpropionic acid ChemIDplus A cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 3-hydroxy group of quinic acid. It is an intermediate metabolite in the biosynthesis of lignin. 0 C16H18O9 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 CWVRJTMFETXNAD-JUHZACGLSA-N 354.30870 354.09508 O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O CHEBI:13972 CHEBI:23145 CHEBI:3625 CAS:327-97-9 HMDB:HMDB0003164 KEGG:C00852 KNApSAcK:C00002724 MetaCyc:CAFFEOYLQUINATE PMID:16507475 PMID:22770225 Reaxys:2017157 Wikipedia:Chlorogenic_acid 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 [1S-(1alpha,3beta,4alpha,5alpha)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid trans-5-O-Caffeoyl-D-quinate CHEBI:16112 chlorogenic acid chlorogenic acid CAS:327-97-9 KEGG COMPOUND PMID:16507475 Europe PMC PMID:22770225 Europe PMC Reaxys:2017157 Reaxys Chlorogenic acid KEGG_COMPOUND 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 [1S-(1alpha,3beta,4alpha,5alpha)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid ChEBI 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 3beta-hydroxy group. 0 C27H46O 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 HVYWMOMLDIMFJA-DPAQBDIFSA-N 386.655 386.35487 C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C[C@H](C1)O)[H])(CC[C@@]4([C@H](C)CCCC(C)C)[H])[H])C)[H])C CHEBI:13982 CHEBI:23204 CHEBI:3659 CHEBI:41564 Beilstein:2060565 CAS:57-88-5 DrugBank:DB04540 Gmelin:550297 HMDB:HMDB0000067 KEGG:C00187 KEGG:D00040 KNApSAcK:C00003648 LIPID_MAPS_instance:LMST01010001 MetaCyc:CHOLESTEROL PDBeChem:CLR PMID:10901445 PMID:11412894 PMID:16341241 PMID:24287311 PMID:25308664 PMID:25451949 PMID:25522988 PMID:25658343 PMID:25977713 PMID:4696527 PMID:8838010 Reaxys:2060565 Wikipedia:Cholesterol CHOLESTEROL Cholesterol cholest-5-en-3beta-ol cholesterol chebi_ontology (3beta,14beta,17alpha)-cholest-5-en-3-ol Cholest-5-en-3beta-ol Cholesterin CHEBI:16113 cholesterol cholesterol Beilstein:2060565 Beilstein CAS:57-88-5 ChemIDplus CAS:57-88-5 KEGG COMPOUND CAS:57-88-5 NIST Chemistry WebBook Gmelin:550297 Gmelin LIPID_MAPS_instance:LMST01010001 LIPID MAPS PMID:10901445 Europe PMC PMID:11412894 Europe PMC PMID:16341241 Europe PMC PMID:24287311 Europe PMC PMID:25308664 Europe PMC PMID:25451949 Europe PMC PMID:25522988 Europe PMC PMID:25658343 Europe PMC PMID:25977713 Europe PMC PMID:4696527 Europe PMC PMID:8838010 Europe PMC Reaxys:2060565 Reaxys CHOLESTEROL PDBeChem Cholesterol KEGG_COMPOUND cholest-5-en-3beta-ol IUPAC cholesterol UniProt (3beta,14beta,17alpha)-cholest-5-en-3-ol IUPAC Cholest-5-en-3beta-ol KEGG_COMPOUND Cholesterin NIST_Chemistry_WebBook A cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid substituted by hydroxy groups at positions 3, 4 and 5 (the 3R,4S,5R stereoisomer). It is an intermediate metabolite in plants and microorganisms. 0 C7H10O5 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 JXOHGGNKMLTUBP-HSUXUTPPSA-N 174.15130 174.05282 O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(O)=O CHEBI:26662 CHEBI:26664 CHEBI:45740 CHEBI:9133 Beilstein:2210055 CAS:138-59-0 HMDB:HMDB0003070 KEGG:C00493 KNApSAcK:C00001203 PDBeChem:SKM PMID:24190737 PMID:24628944 PMID:24783849 PMID:24836188 PMID:24894540 PMID:24981409 Reaxys:2210055 Wikipedia:Shikimic_acid (3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid Shikimic acid chebi_ontology 3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid 3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid L-shikimic acid Shikimate [3R-(3alpha,4alpha,5beta)]-3,4,5-trihydroxy-1-cyclohexene-1-carboxylic acid CHEBI:16119 shikimic acid shikimic acid Beilstein:2210055 Beilstein CAS:138-59-0 ChemIDplus CAS:138-59-0 KEGG COMPOUND CAS:138-59-0 NIST Chemistry WebBook PMID:24190737 Europe PMC PMID:24628944 Europe PMC PMID:24783849 Europe PMC PMID:24836188 Europe PMC PMID:24894540 Europe PMC PMID:24981409 Europe PMC Reaxys:2210055 Reaxys (3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid IUPAC Shikimic acid KEGG_COMPOUND 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 [3R-(3alpha,4alpha,5beta)]-3,4,5-trihydroxy-1-cyclohexene-1-carboxylic acid NIST_Chemistry_WebBook A benzenetriol carrying hydroxy groups at positions 1, 2 and 3. 0 C6H6O3 InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H WQGWDDDVZFFDIG-UHFFFAOYSA-N 126.11004 126.03169 Oc1cccc(O)c1O CHEBI:11135 CHEBI:14985 CHEBI:22708 CHEBI:45264 CHEBI:482 CAS:87-66-1 HMDB:HMDB0013674 KEGG:C01108 KNApSAcK:C00002670 MetaCyc:PYROGALLOL PMID:10427737 PMID:18506365 PMID:18760383 PMID:19948158 PMID:24415452 PMID:24458986 Reaxys:907431 UM-BBD_compID:c0025 Wikipedia:Pyrogallol Pyrogallol benzene-1,2,3-triol chebi_ontology 1,2,3-Benzenetriol 1,2,3-Trihydroxybenzene 1,2,3-trihydroxybenzene Pyrogallic acid benzene-1,2,3-triol CHEBI:16164 pyrogallol pyrogallol CAS:87-66-1 ChemIDplus CAS:87-66-1 KEGG COMPOUND PMID:10427737 Europe PMC PMID:18506365 Europe PMC PMID:18760383 Europe PMC PMID:19948158 Europe PMC PMID:24415452 Europe PMC PMID:24458986 Europe PMC Reaxys:907431 Reaxys UM-BBD_compID:c0025 UM-BBD Pyrogallol KEGG_COMPOUND benzene-1,2,3-triol IUPAC 1,2,3-Benzenetriol KEGG_COMPOUND 1,2,3-Trihydroxybenzene KEGG_COMPOUND 1,2,3-trihydroxybenzene UniProt Pyrogallic acid KEGG_COMPOUND benzene-1,2,3-triol ChEBI An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry. 0 C18H34O2 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- ZQPPMHVWECSIRJ-KTKRTIGZSA-N 282.46140 282.25588 CCCCCCCC\C=C/CCCCCCCC(O)=O CHEBI:104361 CHEBI:25664 CHEBI:44741 CHEBI:7741 Beilstein:1726542 CAS:112-80-1 DrugBank:DB04224 Drug_Central:3400 ECMDB:ECMDB21348 Gmelin:109551 Gmelin:57556 HMDB:HMDB0000207 KEGG:C00712 KEGG:D02315 KNApSAcK:C00001232 LIPID_MAPS_instance:LMFA01030002 PDBeChem:OLA PMID:11304127 PMID:15325315 PMID:15723125 PMID:18772370 PMID:19761868 PMID:23844805 PMID:24819471 PMID:25584012 PMID:25794012 PMID:5332408 PMID:6205897 Reaxys:1726542 Wikipedia:Oleic_acid (9Z)-octadec-9-enoic acid OLEIC ACID Oleic acid chebi_ontology (9Z)-Octadecenoic acid (Z)-Octadec-9-enoic acid 18:1 n-9 18:1Delta9cis C18:1 n-9 FA 18:1 Octadec-9-enoic acid Oelsaeure Oleate cis-9-octadecenoic acid cis-Delta(9)-octadecenoic acid cis-oleic acid CHEBI:16196 oleic acid oleic acid Beilstein:1726542 Beilstein CAS:112-80-1 ChemIDplus CAS:112-80-1 KEGG COMPOUND CAS:112-80-1 NIST Chemistry WebBook Drug_Central:3400 DrugCentral Gmelin:109551 Gmelin Gmelin:57556 Gmelin LIPID_MAPS_instance:LMFA01030002 LIPID MAPS PMID:11304127 Europe PMC PMID:15325315 Europe PMC PMID:15723125 Europe PMC PMID:18772370 Europe PMC PMID:19761868 Europe PMC PMID:23844805 Europe PMC PMID:24819471 Europe PMC PMID:25584012 Europe PMC PMID:25794012 Europe PMC PMID:5332408 Europe PMC PMID:6205897 Europe PMC Reaxys:1726542 Reaxys (9Z)-octadec-9-enoic acid IUPAC OLEIC ACID PDBeChem Oleic acid KEGG_COMPOUND (9Z)-Octadecenoic acid KEGG_COMPOUND (Z)-Octadec-9-enoic acid KEGG_COMPOUND 18:1 n-9 ChEBI 18:1Delta9cis ChEBI C18:1 n-9 ChEBI FA 18:1 ChEBI Octadec-9-enoic acid ChEMBL Oelsaeure ChEBI Oleate KEGG_COMPOUND cis-9-octadecenoic acid NIST_Chemistry_WebBook cis-Delta(9)-octadecenoic acid ChemIDplus cis-oleic acid ChEBI A benzenetriol with hydroxy groups at position 1, 3 and 5. 0 C6H6O3 InChI=1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H QCDYQQDYXPDABM-UHFFFAOYSA-N 126.11004 126.03169 Oc1cc(O)cc(O)c1 CHEBI:11159 CHEBI:14788 CHEBI:22710 CHEBI:8114 CAS:108-73-6 Drug_Central:2153 HMDB:HMDB0013675 KEGG:C02183 KEGG:D00152 KNApSAcK:C00002665 MetaCyc:CPD-16 PMID:25456733 PMID:25640118 Reaxys:1341907 UM-BBD_compID:c0026 Wikipedia:Phloroglucinol Phloroglucinol benzene-1,3,5-triol chebi_ontology 1,3,5-Benzenetriol 1,3,5-Trihydroxybenzene 1,3,5-trihydroxybenzene benzene-1,3,5-triol s-Trihydroxybenzene CHEBI:16204 phloroglucinol phloroglucinol CAS:108-73-6 ChemIDplus CAS:108-73-6 KEGG COMPOUND Drug_Central:2153 DrugCentral PMID:25456733 Europe PMC PMID:25640118 Europe PMC Reaxys:1341907 Reaxys UM-BBD_compID:c0026 UM-BBD Phloroglucinol KEGG_COMPOUND benzene-1,3,5-triol IUPAC 1,3,5-Benzenetriol KEGG_COMPOUND 1,3,5-Trihydroxybenzene KEGG_COMPOUND 1,3,5-trihydroxybenzene UniProt benzene-1,3,5-triol ChEBI s-Trihydroxybenzene ChemIDplus 0 C26H30O8 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 KBDSLGBFQAGHBE-MSGMIQHVSA-N 470.51160 470.19407 [H][C@]12CC(=O)OC[C@]11[C@@]3([H])CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]45[C@]3(C)C(=O)C[C@@]1([H])C(C)(C)O2)c1ccoc1 CHEBI:14509 CHEBI:14511 CHEBI:25042 CHEBI:6467 AGR:IND44319571 CAS:1180-71-8 KEGG:C03514 KEGG:C16717 KEGG:D00173 KNApSAcK:C00003719 PMID:19782062 PMID:21338095 PMID:22907263 PMID:22999474 Wikipedia: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 Limonin limonin chebi_ontology 7,16-Dioxo-7,16-dideoxylimondiol Citrolimonin Dictamnolactone Evodia fruit Evodin Limonoate D-ring-lactone Limonoic acid, di-delta-lactone Obaculactone limonoic acid 3,19:16,17-dilactone CHEBI:16226 limonin AGR:IND44319571 Europe PMC CAS:1180-71-8 ChemIDplus CAS:1180-71-8 KEGG COMPOUND PMID:19782062 Europe PMC PMID:21338095 Europe PMC PMID:22907263 Europe PMC PMID:22999474 Europe PMC (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 Limonin KEGG_COMPOUND limonin UniProt 7,16-Dioxo-7,16-dideoxylimondiol ChemIDplus Citrolimonin ChemIDplus Dictamnolactone ChemIDplus Evodia fruit KEGG_DRUG Evodin KEGG_COMPOUND Limonoate D-ring-lactone KEGG_COMPOUND Limonoic acid, di-delta-lactone ChemIDplus Obaculactone ChemIDplus 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. 0 C15H10O7 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 REFJWTPEDVJJIY-UHFFFAOYSA-N 302.238 302.04265 OC1=CC(O)=C2C(OC(=C(O)C2=O)C2=CC(O)=C(O)C=C2)=C1 CHEBI:11704 CHEBI:14991 CHEBI:26472 CHEBI:45280 CHEBI:8696 Beilstein:317313 CAS:117-39-5 DrugBank:DB04216 Drug_Central:3514 FooDB:FDB011904 Gmelin:579210 HMDB:HMDB0005794 KEGG:C00389 KNApSAcK:C00004631 LINCS:LSM-4199 LIPID_MAPS_instance:LMPK12110004 MetaCyc:CPD-520 PDBeChem:QUE PMID:16226777 PMID:17015250 PMID:17135030 PMID:17426744 PMID:18096136 PMID:18484521 PMID:18549926 PMID:18564899 PMID:18579649 PMID:18785622 PMID:19043800 PMID:19461927 PMID:22920589 PMID:23342112 PMID:23359794 PMID:27565033 PMID:27589790 PMID:27591927 PMID:27704720 Patent:KR20120121684 Patent:US2013012577 Reaxys:317313 Wikipedia:Quercetin 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one Quercetin chebi_ontology 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one 3,3',4',5,7-pentahydroxyflavone 3,5,7,3',4'-PENTAHYDROXYFLAVONE 3,5,7,3',4'-Pentahydroxyflavone sophoretin xanthaurine CHEBI:16243 quercetin quercetin Beilstein:317313 Beilstein CAS:117-39-5 ChemIDplus CAS:117-39-5 NIST Chemistry WebBook Drug_Central:3514 DrugCentral Gmelin:579210 Gmelin LIPID_MAPS_instance:LMPK12110004 LIPID MAPS PMID:16226777 Europe PMC PMID:17015250 Europe PMC PMID:17135030 Europe PMC PMID:17426744 Europe PMC PMID:18096136 Europe PMC PMID:18484521 Europe PMC PMID:18549926 Europe PMC PMID:18564899 Europe PMC PMID:18579649 Europe PMC PMID:18785622 Europe PMC PMID:19043800 Europe PMC PMID:19461927 Europe PMC PMID:22920589 Europe PMC PMID:23342112 Europe PMC PMID:23359794 Europe PMC PMID:27565033 Europe PMC PMID:27589790 Europe PMC PMID:27591927 Europe PMC PMID:27704720 Europe PMC Reaxys:317313 Reaxys 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one IUPAC Quercetin KEGG_COMPOUND 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one ChEBI 3,3',4',5,7-pentahydroxyflavone ChEBI 3,5,7,3',4'-PENTAHYDROXYFLAVONE PDBeChem 3,5,7,3',4'-Pentahydroxyflavone 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:C00865 Phospholipid chebi_ontology a phospholipid derivative phospholipids CHEBI:16247 phospholipid phospholipid Phospholipid KEGG_COMPOUND a phospholipid derivative UniProt phospholipids ChEBI An aminoglycan consisting of beta-(1->4)-linked D-glucosamine residues. 0 H2O(C6H11NO4)n CHEBI:13964 CHEBI:3599 CAS:9012-76-4 DrugBank:DB14155 FooDB:FDB015634 HMDB:HMDB0003404 KEGG:C00734 KEGG:G10536 MetaCyc:Chitosan PMID:33208634 PMID:34885715 PMID:36076877 PMID:36191784 PMID:36315326 PMID:36362923 PMID:36431043 PMID:36437390 PMID:36449553 PMID:36501559 PMID:36547302 PMID:36547931 Pesticides:chitosan Wikipedia:Chitosan (1->4)-2-amino-2-deoxy-beta-D-glucan Chitosan chebi_ontology Deacetylchitin [4)-beta-D-GlcpN(1->]n beta-1,4-Poly-D-glucosamine poliglusam CHEBI:16261 chitosan chitosan CAS:9012-76-4 ChemIDplus PMID:33208634 Europe PMC PMID:34885715 Europe PMC PMID:36076877 Europe PMC PMID:36191784 Europe PMC PMID:36315326 Europe PMC PMID:36362923 Europe PMC PMID:36431043 Europe PMC PMID:36437390 Europe PMC PMID:36449553 Europe PMC PMID:36501559 Europe PMC PMID:36547302 Europe PMC PMID:36547931 Europe PMC Pesticides:chitosan Alan Wood's Pesticides (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. 0 (C5H8)nC11H8O2 CHEBI:14582 CHEBI:25184 CHEBI:6749 CAS:11032-49-8 KEGG:C00828 Wikipedia:Vitamin_K2 Menaquinone chebi_ontology MK-n Menatetrenone a menaquinone menaquinone-n vitamin K2 CHEBI:16374 menaquinone menaquinone CAS:11032-49-8 ChemIDplus CAS:11032-49-8 KEGG COMPOUND Menaquinone KEGG_COMPOUND MK-n ChEBI Menatetrenone KEGG_COMPOUND a menaquinone UniProt menaquinone-n ChEBI vitamin K2 ChemIDplus -1 I InChI=1S/HI/h1H/p-1 XMBWDFGMSWQBCA-UHFFFAOYSA-M 126.90447 126.90502 [I-] CHEBI:14460 CHEBI:49698 CHEBI:5946 Beilstein:3587184 CAS:20461-54-5 Gmelin:14912 KEGG:C00708 PDBeChem:IOD Iodide iodide iodide(1-) chebi_ontology I(-) I- IODIDE ION iodine anion CHEBI:16382 iodide iodide Beilstein:3587184 Beilstein CAS:20461-54-5 ChemIDplus CAS:20461-54-5 NIST Chemistry WebBook Gmelin:14912 Gmelin Iodide KEGG_COMPOUND iodide IUPAC iodide UniProt iodide(1-) IUPAC I(-) IUPAC I- KEGG_COMPOUND IODIDE ION PDBeChem iodine anion NIST_Chemistry_WebBook A 2-hydroxy carboxylic acid that is mandelic acid bearing a phenolic hydroxy substituent at position 4. 0 C8H8O4 InChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12) YHXHKYRQLYQUIH-UHFFFAOYSA-N 168.14672 168.04226 OC(C(O)=O)c1ccc(O)cc1 CHEBI:1869 CHEBI:20410 Beilstein:2365374 CAS:1198-84-1 Gmelin:486823 HMDB:HMDB0000822 KEGG:C11527 PMID:22770225 Reaxys:2365374 4-Hydroxymandelic acid 4-hydroxymandelic acid hydroxy(4-hydroxyphenyl)acetic acid chebi_ontology 4-hydroxyphenylglycolic acid CHEBI:16388 4-hydroxymandelic acid 4-hydroxymandelic acid Beilstein:2365374 Beilstein CAS:1198-84-1 ChemIDplus Gmelin:486823 Gmelin PMID:22770225 Europe PMC Reaxys:2365374 Reaxys 4-Hydroxymandelic acid KEGG_COMPOUND 4-hydroxymandelic acid ChEBI 4-hydroxymandelic acid ChemIDplus hydroxy(4-hydroxyphenyl)acetic acid IUPAC 4-hydroxyphenylglycolic acid ChemIDplus The trans-isomer of caffeic acid. 0 C9H8O4 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+ QAIPRVGONGVQAS-DUXPYHPUSA-N 180.15740 180.04226 OC(=O)\C=C\c1ccc(O)c(O)c1 CHEBI:11691 CHEBI:11692 CHEBI:12870 CHEBI:1379 CHEBI:19877 CHEBI:41964 Beilstein:1954563 CAS:331-39-5 CAS:501-16-6 HMDB:HMDB0001964 KEGG:C01197 KEGG:C01481 KNApSAcK:C00000615 PDBeChem:DHC PMID:21503726 Reaxys:1954563 Wikipedia:Caffeic_acid (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid chebi_ontology 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 Beilstein:1954563 Beilstein CAS:331-39-5 KEGG COMPOUND CAS:501-16-6 ChemIDplus CAS:501-16-6 KEGG COMPOUND PMID:21503726 Europe PMC Reaxys:1954563 Reaxys (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 PDBeChem Caffeic acid KEGG_COMPOUND trans-Caffeate KEGG_COMPOUND trans-caffeate ChEBI An alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2. 0 C3H7NO2 InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6) QNAYBMKLOCPYGJ-UHFFFAOYSA-N 89.09322 89.04768 CC(N)C(O)=O CHEBI:13748 CHEBI:22277 CHEBI:2539 Beilstein:635807 CAS:302-72-7 Drug_Central:4306 Gmelin:2449 KEGG:C01401 PMID:17439666 PMID:22264337 Reaxys:635807 Wikipedia:Alanine 2-aminopropanoic acid Alanine alanine chebi_ontology 2-Aminopropanoic acid 2-Aminopropionic acid A ALA Alanin alanina CHEBI:16449 alanine alanine Beilstein:635807 Beilstein CAS:302-72-7 ChemIDplus CAS:302-72-7 KEGG COMPOUND CAS:302-72-7 NIST Chemistry WebBook Drug_Central:4306 DrugCentral Gmelin:2449 Gmelin PMID:17439666 Europe PMC PMID:22264337 Europe PMC Reaxys:635807 Reaxys 2-aminopropanoic acid IUPAC Alanine KEGG_COMPOUND alanine IUPAC 2-Aminopropanoic acid KEGG_COMPOUND 2-Aminopropionic acid KEGG_COMPOUND A ChEBI ALA ChEBI Alanin ChEBI alanina ChEBI (1S,4R)-fenchone The 3'-O-methyl derivative of luteolin. 0 C16H12O6 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 SCZVLDHREVKTSH-UHFFFAOYSA-N 300.26290 300.06339 COc1cc(ccc1O)-c1cc(=O)c2c(O)cc(O)cc2o1 CHEBI:12083 CHEBI:2006 CHEBI:20519 Beilstein:295004 CAS:491-71-4 KEGG:C04293 KNApSAcK:C00001029 LIPID_MAPS_instance:LMPK12110799 MetaCyc:574-TRIHYDROXY-3-METHOXYFLAVONE PMID:22438130 PMID:22577954 PMID:23017389 PMID:23052184 PMID: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 Chryseriol Chrysoeriol Luteolin 3'-methyl ether CHEBI:16514 4',5,7-trihydroxy-3'-methoxyflavone Beilstein:295004 Beilstein CAS:491-71-4 ChemIDplus CAS:491-71-4 KEGG COMPOUND LIPID_MAPS_instance:LMPK12110799 LIPID MAPS PMID:22438130 Europe PMC PMID:22577954 Europe PMC PMID:23017389 Europe PMC PMID:23052184 Europe PMC PMID:23122135 Europe PMC 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 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. 0 C10H10O3 InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+ DKZBBWMURDFHNE-NSCUHMNNSA-N 178.18460 178.06299 COc1cc(\C=C\C=O)ccc1O CHEBI:14018 CHEBI:23372 CHEBI:3859 CAS:458-36-6 KEGG:C02666 KNApSAcK:C00002728 MetaCyc:CONIFERYL-ALDEHYDE PMID:22034160 PMID:22466741 PMID:23302528 PMID:23725839 PMID:24010325 Reaxys:2048208 Wikipedia:Coniferyl_aldehyde 3-(4-hydroxy-3-methoxyphenyl)prop-2-enal Coniferyl aldehyde chebi_ontology (E)-coniferaldehyde 4-Hydroxy-3-methoxycinnamaldehyde 4-hydroxy-3-methoxycinnamaldehyde Coniferaldehyde Ferulaldehyde CHEBI:16547 coniferyl aldehyde CAS:458-36-6 ChemIDplus CAS:458-36-6 KEGG COMPOUND PMID:22034160 Europe PMC PMID:22466741 Europe PMC PMID:23302528 Europe PMC PMID:23725839 Europe PMC PMID:24010325 Europe PMC Reaxys:2048208 Reaxys 3-(4-hydroxy-3-methoxyphenyl)prop-2-enal IUPAC Coniferyl aldehyde KEGG_COMPOUND (E)-coniferaldehyde UniProt 4-Hydroxy-3-methoxycinnamaldehyde KEGG_COMPOUND 4-hydroxy-3-methoxycinnamaldehyde ChEBI Coniferaldehyde KEGG_COMPOUND Ferulaldehyde KEGG_COMPOUND A trisaccharide composed of alpha-D-galactopyranose, alpha-D-glucopyranose and beta-D-fructofuranose joined in sequence by 1->6 and 1<->2 glycosidic linkages, respectively. 0 C18H32O16 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 MUPFEKGTMRGPLJ-ZQSKZDJDSA-N 504.43710 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 CHEBI:15015 CHEBI:26521 CHEBI:49843 CHEBI:8771 CAS:512-69-6 HMDB:HMDB0003213 KEGG:C00492 KEGG:G00249 KNApSAcK:C00001145 MetaCyc:CPD-1099 PDBeChem:RAF PMID:23317449 PMID:23879777 PMID:23882273 PMID:24001862 PMID:24354450 PMID:24360500 Reaxys:99543 Wikipedia:Raffinose Raffinose beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside raffinose chebi_ontology 6G-alpha-D-galactosylsucrose Gossypose Melitose Melitriose alpha-D-Galp-(1->6)-alpha-D-Glcp-(1<->2)-beta-D-Fruf alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranosyl beta-D-fructofuranoside rafinose raflinose CHEBI:16634 raffinose raffinose CAS:512-69-6 ChemIDplus CAS:512-69-6 KEGG COMPOUND PMID:23317449 Europe PMC PMID:23879777 Europe PMC PMID:23882273 Europe PMC PMID:24001862 Europe PMC PMID:24354450 Europe PMC PMID:24360500 Europe PMC Reaxys:99543 Reaxys Raffinose KEGG_COMPOUND beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside IUPAC raffinose UniProt 6G-alpha-D-galactosylsucrose KEGG_COMPOUND Gossypose KEGG_COMPOUND Melitose KEGG_COMPOUND Melitriose 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 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 Cm(H2O)n. Compounds obtained from carbohydrates by substitution, etc., are known as carbohydrate derivatives and may contain other elements. Cyclitols are generally not regarded as carbohydrates. CHEBI:15131 CHEBI:23008 CHEBI:9318 Wikipedia:Carbohydrate carbohydrate carbohydrates chebi_ontology Kohlenhydrat Kohlenhydrate a carbohydrate carbohidrato carbohidratos glucide glucides glucido glucidos hydrates de carbone saccharide saccharides saccharidum CHEBI:16646 carbohydrate carbohydrate carbohydrate IUPAC carbohydrates IUPAC Kohlenhydrat ChEBI Kohlenhydrate ChEBI a carbohydrate UniProt carbohidrato IUPAC carbohidratos 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 PMID:2183790 PMID:31318957 Wikipedia:Prolamin chebi_ontology prolamins CHEBI:166885 prolamin prolamin AGR:IND606466950 Europe PMC PMID:2183790 SUBMITTER PMID:31318957 Europe PMC prolamins ChEBI A complex of six monomers, has a predominantly beta-sheet-containing secondary structure PMID:23192340 Wikipedia:https://en.wikipedia.org/wiki/Cruciferin chebi_ontology CHEBI:166886 cruciferin cruciferin PMID:23192340 SUBMITTER Wikipedia:https://en.wikipedia.org/wiki/Cruciferin SUBMITTER 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 PMID:28552833 Wikipedia:https://en.wikipedia.org/wiki/Glutenin chebi_ontology CHEBI:166887 glutenin glutenin PMID:28552833 SUBMITTER Wikipedia:https://en.wikipedia.org/wiki/Glutenin SUBMITTER A stigmastane sterol that is 5alpha-stigmastane carrying a hydroxy group at position 3beta and double bonds at positions 7 and 24. 0 C29H48O 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 MCWVPSBQQXUCTB-OQTIOYDCSA-N 412.702 412.37052 [H][C@@]1(CC[C@@]2([H])C3=CC[C@@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC\C(=C\C)C(C)C CHEBI:80096 AGR:IND606116260 AGR:IND606555602 AGR:IND606838474 AGR:IND606982361 AGR:IND606998166 CAS:23290-26-8 Chemspider:4444703 FooDB:FDB030685 HMDB:HMDB0006851 KEGG:C15782 KNApSAcK:C00007322 LIPID_MAPS_instance:LMST01040154 MetaCyc:CPD-4125 PMID:11829639 PMID:20557911 PMID:28078712 PMID:30178878 PMID:31368539 PMID:31373097 PMID:32468588 PMID:32549600 Wikipedia:Avenasterol (24Z)-5alpha-stigmasta-7,24(28)-dien-3beta-ol chebi_ontology (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 avenasterol AGR:IND606116260 Europe PMC AGR:IND606555602 Europe PMC AGR:IND606838474 Europe PMC AGR:IND606982361 Europe PMC AGR:IND606998166 Europe PMC CAS:23290-26-8 ChemIDplus LIPID_MAPS_instance:LMST01040154 LIPID MAPS PMID:11829639 Europe PMC PMID:20557911 Europe PMC PMID:28078712 Europe PMC PMID:30178878 Europe PMC PMID:31368539 Europe PMC PMID:31373097 Europe PMC PMID:32468588 Europe PMC PMID:32549600 Europe PMC (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 LIPID_MAPS 24Z-ethylidenelathosterol ChemIDplus 7-dehydroavenasterol KEGG_COMPOUND Delta(7)-avenasterol ChEBI Delta-7-avenasterol ChEBI delta-7-avenasterol ChEBI delta7-avenasterol ChemIDplus delta7-avenasterol LIPID_MAPS 0 C29H46O 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 OQMZNAMGEHIHNN-CIFIHVIMSA-N 410.686 410.35487 O([C@@]1(C(C=2[C@@]([C@@]3(C([C@]4([C@@]([C@](C(C4([H])[H])([H])[H])([C@](C([H])([H])[H])(/C(=C(/[C@](C(C([H])([H])[H])(C([H])([H])[H])[H])(C(C([H])([H])[H])([H])[H])[H])\[H])/[H])[H])[H])(C(C3([H])[H])([H])[H])C([H])([H])[H])[H])=C(C2[H])[H])[H])(C(C1([H])[H])([H])[H])C([H])([H])[H])([H])[H])[H])[H] CAS:481-19-6 chebi_ontology Corbisterol CHEBI:166889 delta7-stigmasterol delta7-stigmasterol CAS:481-19-6 SUBMITTER Corbisterol SUBMITTER 0 C5H10O5 InChI=1S/C5H10O5/c6-1-4(9)5(10,2-7)3-8/h1,4,7-10H,2-3H2/t4-/m0/s1 AVGPOAXYRRIZMM-BYPYZUCNSA-N 150.12990 150.05282 OCC(O)(CO)[C@@H](O)C=O CHEBI:12911 CHEBI:20908 CHEBI:4099 CHEBI:57860 CAS:639-97-4 KEGG:C01488 3-C-(hydroxymethyl)-D-glycero-tetrose D-Apiose chebi_ontology 3-C-Hydroxymethyltetrose Apiose D-Api aldehydo-D-apiose apiose CHEBI:16689 D-apiose D-apiose CAS:639-97-4 KEGG COMPOUND 3-C-(hydroxymethyl)-D-glycero-tetrose IUPAC D-Apiose KEGG_COMPOUND 3-C-Hydroxymethyltetrose ChemIDplus Apiose ChemIDplus D-Api JCBN aldehydo-D-apiose UniProt Phenols that include substances containing a phenolic ring and at least one organic carboxylic acid function. CAS:29656-58-4 Wikipedia:https://en.wikipedia.org/wiki/Phenolic_acid chebi_ontology phenolcarboxylic acids CHEBI:166890 phenolic acid phenolic acid CAS:29656-58-4 SUBMITTER Wikipedia:https://en.wikipedia.org/wiki/Phenolic_acid SUBMITTER 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:https://en.wikipedia.org/wiki/Phenylpropene chebi_ontology CHEBI:166891 phenylpropane phenylpropane CAS:300-57-2 SUBMITTER Wikipedia:https://en.wikipedia.org/wiki/Phenylpropene SUBMITTER The non-sugar compound remaining after replacement of the glycosyl group from a glycoside by a hydrogen atom. Wikipedia:Aglycone chebi_ontology aglycon genin CHEBI:166892 aglycone aglycone aglycon ChEBI genin ChEBI 0 C20H32O2 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+ IQLUYYHUNSSHIY-HZUMYPAESA-N 304.474 304.24023 O(C(=O)\C(=C(\C(=C(\C(=C(\C(=C(\C(C(C(C(C(C(C(C(C(C(C([H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])/[H])\[H])/[H])\[H])/[H])\[H])/[H])\[H])[H] Wikipedia:https://en.wikipedia.org/wiki/Eicosatetraenoic_acid chebi_ontology CHEBI:166893 eicosatetraenoic acid eicosatetraenoic acid Wikipedia:https://en.wikipedia.org/wiki/Eicosatetraenoic_acid SUBMITTER 0 C24H20O9 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 JVIFPKVYVMFZHK-UHFFFAOYSA-N 452.415 452.11073 O1C(C(OC2=C1C=3OC4=C(C(=O)C3C(O[H])=C2[H])C(OC([H])([H])[H])=C(C(=C4[H])[H])[H])(C5=C(C(O[H])=C(OC([H])([H])[H])C(=C5[H])[H])[H])[H])(C(O[H])([H])[H])[H] PMID:12570717 chebi_ontology CHEBI:166894 xanthonolignoid xanthonolignoid PMID:12570717 SUBMITTER oligomeric compounds, formed from catechin and epicatechin molecules. They yield cyanidin when depolymerized under oxidative conditions. 0 C30H26O13 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 HGVVOUNEGQIPMS-UHFFFAOYSA-N 594.525 594.13734 O(C1(OC=2C(C(O[H])(C1(O[H])[H])[H])=C(O[H])C(=C(O[H])C2[H])[H])C3=C(C(O[H])=C(O[H])C(=C3[H])[H])[H])C4(C(OC=5C(C4([H])[H])=C(O[H])C(=C(O[H])C5[H])[H])(C6=C(C(O[H])=C(O[H])C(=C6[H])[H])[H])[H])[H] CAS:4852-22-6 Wikipedia:https://en.wikipedia.org/wiki/Procyanidin chebi_ontology CHEBI:166895 procyanidin procyanidin CAS:4852-22-6 SUBMITTER Wikipedia:https://en.wikipedia.org/wiki/Procyanidin SUBMITTER 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 peltogynoid compounds having a coumarin skeleton and having an aryl structure at the 3-position PMID:30746966 chebi_ontology CHEBI:166897 3-arylcoumarin 3-arylcoumarin PMID:30746966 SUBMITTER Allomelanin is a type of nitrogen-free melanin most commonly found in fungi PMID:31524373 chebi_ontology CHEBI:166898 allomelanin allomelanin PMID:31524373 SUBMITTER 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:https://en.wikipedia.org/wiki/Globulin chebi_ontology CHEBI:166899 globulin type globulin type Wikipedia:https://en.wikipedia.org/wiki/Globulin SUBMITTER 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. PMID:32481022 Wikipedia:https://en.wikipedia.org/wiki/Albumin#Other_albumin_types chebi_ontology CHEBI:166964 albumin type albumin type PMID:32481022 SUBMITTER Wikipedia:https://en.wikipedia.org/wiki/Albumin#Other_albumin_types SUBMITTER 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 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 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:https://en.wikipedia.org/wiki/Fatty_acid chebi_ontology CHEBI:166967 cis-fatty acid cis-fatty acid Wikipedia:https://en.wikipedia.org/wiki/Fatty_acid SUBMITTER 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:https://en.wikipedia.org/wiki/Fatty_acid chebi_ontology CHEBI:166968 trans-fatty acid trans-fatty acid Wikipedia:https://en.wikipedia.org/wiki/Fatty_acid SUBMITTER A hydroxymethylpyridine with hydroxymethyl groups at positions 4 and 5, a hydroxy group at position 3 and a methyl group at position 2. The 4-methanol form of vitamin B6, it is converted intoto pyridoxal phosphate which is a coenzyme for synthesis of amino acids, neurotransmitters, sphingolipids and aminolevulinic acid. 0 C8H11NO3 InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3 LXNHXLLTXMVWPM-UHFFFAOYSA-N 169.180 169.07389 CC1=C(O)C(CO)=C(CO)C=N1 CHEBI:14981 CHEBI:26429 CHEBI:8671 AGR:IND607198670 Beilstein:139854 CAS:65-23-6 Chemspider:1025 DrugBank:DB00165 Drug_Central:2836 FooDB:FDB000574 Gmelin:563676 HMDB:HMDB0000239 KEGG:C00314 KEGG:D08454 KNApSAcK:C00001551 LINCS:LSM-5324 MetaCyc:PYRIDOXINE PDBeChem:UEG PMID:10687314 PMID:10894227 PMID:11562405 PMID:12640345 PMID:12768081 PMID:13046427 PMID:15132238 PMID:15369738 PMID:15756083 PMID:16236150 PMID:16277693 PMID:16690736 PMID:17044573 PMID:22932811 PMID:24035968 PMID:24601602 PMID:2580028 PMID:27113583 PMID:2885064 PMID:31093449 PMID:32105687 PMID:33549283 PMID:33665688 PMID:3710434 PMID:559690 PMID:6624427 PMID:6801073 PMID:9625217 Reaxys:139854 Wikipedia:Pyridoxine 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol pyridoxine 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 5-hydroxy-6-methyl-3,4-pyridinedimethanol Pyridoxol piridossina pyridoxina pyridoxine pyridoxinum pyridoxolum vitamin B6 CHEBI:16709 pyridoxine pyridoxine AGR:IND607198670 Europe PMC Beilstein:139854 Beilstein CAS:65-23-6 ChemIDplus CAS:65-23-6 KEGG COMPOUND CAS:65-23-6 NIST Chemistry WebBook Drug_Central:2836 DrugCentral Gmelin:563676 Gmelin PMID:10687314 Europe PMC PMID:10894227 Europe PMC PMID:11562405 Europe PMC PMID:12640345 Europe PMC PMID:12768081 Europe PMC PMID:13046427 Europe PMC PMID:15132238 Europe PMC PMID:15369738 Europe PMC PMID:15756083 Europe PMC PMID:16236150 Europe PMC PMID:16277693 Europe PMC PMID:16690736 Europe PMC PMID:17044573 Europe PMC PMID:22932811 Europe PMC PMID:24035968 Europe PMC PMID:24601602 Europe PMC PMID:2580028 Europe PMC PMID:27113583 Europe PMC PMID:2885064 Europe PMC PMID:31093449 Europe PMC PMID:32105687 Europe PMC PMID:33549283 Europe PMC PMID:33665688 Europe PMC PMID:3710434 Europe PMC PMID:559690 Europe PMC PMID:6624427 Europe PMC PMID:6801073 Europe PMC PMID:9625217 Europe PMC Reaxys:139854 Reaxys 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol IUPAC pyridoxine UniProt 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_Chemistry_WebBook 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_Chemistry_WebBook 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol ChEBI 5-hydroxy-6-methyl-3,4-pyridinedimethanol NIST_Chemistry_WebBook Pyridoxol KEGG_COMPOUND piridossina HMDB pyridoxina WHO_MedNet pyridoxine WHO_MedNet pyridoxinum WHO_MedNet pyridoxolum HMDB vitamin B6 NIST_Chemistry_WebBook 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:Mineral_(nutrient) essential mineral, element mineral nutrient chebi_ontology mineral nutrients nutrient mineral nutrient minerals CHEBI:167164 mineral nutrient mineral nutrient mineral nutrient ChEBI mineral nutrients ChEBI nutrient mineral ChEBI nutrient minerals ChEBI A member of the class of anthocyanin chlorides that has cyanidin 3-O-rutinoside as the cationic counterpart. 0 C27H31ClO15 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 ADZHXBNWNZIHIX-XYGAWYNKSA-N 630.97900 630.13515 [Cl-].C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3-c3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O CHEBI:14039 CHEBI:23431 CHEBI:3976 CAS:18719-76-1 KEGG:C04491 KEGG: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 Antirrhinin Cyanidin 3-rutinoside Cyanidin-3-rhamnoglucoside chloride Keracyanin Prunicyanin Sambucin CHEBI:16726 cyanidin 3-O-rutinoside chloride cyanidin 3-O-rutinoside chloride CAS:18719-76-1 ChemIDplus CAS:18719-76-1 KEGG COMPOUND 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 0 C48H28O30 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 ZJVUMAFASBFUBG-UYMKNUMKSA-N 1084.722 1084.06654 O=C1O[C@H]2[C@@H]3OC(=O)C4=C(C(O)=C(O)C(=C4)O)C=5C(O)=C(O)C(=CC5C(O[C@H]3C(O)O[C@@H]2COC(=O)C6=C(C(O)=C(O)C(=C6)O)C7=C8C=9C%10=C(C(C%11=C1C=C(O)C(=C%11O)O)=C(O)C(O)=C%10OC8=O)C(=O)OC9C(O)=C7O)=O)O Chemspider:29272136 6,7,8,11,12,23,24,27,28,29,37,43,44,45,48,49,50-heptadecahydroxy-2,14,21,33,36,39,54-heptaoxaundecacyclo[33.20.0.04,9.010,19.013,18.016,25.017,22.026,31.038,55.041,46.047,52]pentapentaconta-4,6,8,10,12,16,18,22,24,26,28,30,41,43,45,47,49,51-octadecaene-3,15,20,32,40,53-hexone chebi_ontology CHEBI:167695 Punicalagin Punicalagin 6,7,8,11,12,23,24,27,28,29,37,43,44,45,48,49,50-heptadecahydroxy-2,14,21,33,36,39,54-heptaoxaundecacyclo[33.20.0.04,9.010,19.013,18.016,25.017,22.026,31.038,55.041,46.047,52]pentapentaconta-4,6,8,10,12,16,18,22,24,26,28,30,41,43,45,47,49,51-octadecaene-3,15,20,32,40,53-hexone SUBMITTER 0 C34H22O22 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 IQHIEHIKNWLKFB-OBOTWMKHSA-N 782.528 782.06027 O=C1O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2COC(=O)C3=C(C(O)=C(O)C(=C3)O)C4=C5C=6C7=C(C(C8=C1C=C(O)C(=C8O)O)=C(O)C(O)=C7OC5=O)C(=O)OC6C(O)=C4O 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 CHEBI:167696 Punicalin 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 beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. 0 C21H20O10 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 KMOUJOKENFFTPU-QNDFHXLGSA-N 432.378 432.10565 C1=2C(C(C=C(O1)C=3C=CC(O)=CC3)=O)=C(C=C(C2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O CHEBI:12252 CHEBI:20780 CHEBI:2282 CAS:578-74-5 HMDB:HMDB0037340 KEGG:C04608 KNApSAcK:C00001017 LINCS:LSM-2286 MetaCyc:APIGENIN-7-O-BETA-D-GLUCOSIDE PMID:17186490 PMID:19112896 PMID:21656359 PMID:21756194 Reaxys:65669 Wikipedia:Apigetrin 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside apigenin 7-O-beta-D-glucoside 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 CHEBI:16778 apigenin 7-O-beta-D-glucoside CAS:578-74-5 ChemIDplus CAS:578-74-5 KEGG COMPOUND PMID:17186490 Europe PMC PMID:19112896 Europe PMC PMID:21656359 Europe PMC PMID:21756194 Europe PMC Reaxys:65669 Reaxys 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside IUPAC apigenin 7-O-beta-D-glucoside ChemIDplus 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside ChEBI 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 A hydroxyisoflavanone that is isoflavanone substituted by hydroxy groups at positions 7 and 2' and a methoxy group at position 4'. 0 C16H14O5 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 WQCJOKYOIJVEFN-ZDUSSCGKSA-N 286.27940 286.08412 COc1ccc([C@@H]2COc3cc(O)ccc3C2=O)c(O)c1 CHEBI:15307 CHEBI:27284 CHEBI:9972 CAS:158112-50-6 CAS:66211-83-4 HMDB:HMDB0031620 KEGG:C00786 KNApSAcK:C00002584 LIPID_MAPS_instance:LMPK12050462 MetaCyc:VESTITONE PMID:20079815 PMID:22117168 Reaxys:19983204 (3R)-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one Vestitone chebi_ontology (3R)-vestitol (3R)-vestitone 2,3-Dihydro-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one 7,2'-Dihydroxy-4'-methoxyisoflavanone CHEBI:16786 vestitone vestitone CAS:158112-50-6 KEGG COMPOUND CAS:66211-83-4 ChemIDplus CAS:66211-83-4 KEGG COMPOUND LIPID_MAPS_instance:LMPK12050462 LIPID MAPS PMID:20079815 Europe PMC PMID:22117168 Europe PMC Reaxys:19983204 Reaxys (3R)-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one IUPAC Vestitone KEGG_COMPOUND (3R)-vestitol ChEBI (3R)-vestitone UniProt 2,3-Dihydro-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one ChemIDplus 7,2'-Dihydroxy-4'-methoxyisoflavanone ChEBI +2 Hg InChI=1S/Hg/q+2 BQPIGGFYSBELGY-UHFFFAOYSA-N 200.59000 201.96955 [Hg++] CHEBI:13370 CHEBI:25199 CHEBI:25200 CHEBI:49640 CHEBI:5714 KEGG:C00703 PDBeChem:HG UM-BBD_compID:c0096 mercury(2+) mercury(2+) ion mercury(II) cation chebi_ontology Hg(2+) Hg2+ MERCURY (II) ION Mercuric ion mercuric ion mercury(2+) ion mercury(II) mercury(II) cation CHEBI:16793 mercury(2+) mercury(2+) UM-BBD_compID:c0096 UM-BBD mercury(2+) IUPAC mercury(2+) ion IUPAC mercury(II) cation IUPAC Hg(2+) IUPAC Hg(2+) UniProt Hg2+ KEGG_COMPOUND MERCURY (II) ION PDBeChem Mercuric ion KEGG_COMPOUND mercuric ion ChEBI mercury(2+) ion ChEBI mercury(II) ChEBI mercury(II) cation ChEBI A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4. 0 C5H11NO2S InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8) FFEARJCKVFRZRR-UHFFFAOYSA-N 149.21238 149.05105 CSCCC(N)C(O)=O CHEBI:14590 CHEBI:25229 CHEBI:6829 Beilstein:636185 CAS:59-51-8 Gmelin:3117 KEGG:C01733 KEGG:D04983 PMID:16702333 PMID:22264337 PMID:2543976 Reaxys:636185 UM-BBD_compID:c0094 Wikipedia: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 Racemethionine alpha-amino-gamma-methylmercaptobutyric acid metionina CHEBI:16811 methionine methionine Beilstein:636185 Beilstein CAS:59-51-8 ChemIDplus CAS:59-51-8 KEGG COMPOUND CAS:59-51-8 NIST Chemistry WebBook Gmelin:3117 Gmelin PMID:16702333 Europe PMC PMID:22264337 Europe PMC PMID:2543976 Europe PMC Reaxys:636185 Reaxys UM-BBD_compID:c0094 UM-BBD Methionine KEGG_COMPOUND methionine ChEBI 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 Racemethionine KEGG_DRUG alpha-amino-gamma-methylmercaptobutyric acid NIST_Chemistry_WebBook metionina ChEBI A hydroxyisoflavanone that is isoflavanone with hydroxy substituents at positions 5, 7, 2' and 4' and a prenyl group at position 8. 0 C20H20O6 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 MERHMOCEIBOOMA-UHFFFAOYSA-N 356.36920 356.12599 CC(C)=CCc1c(O)cc(O)c2C(=O)C(COc12)c1ccc(O)cc1O CHEBI:14493 CHEBI:24984 CHEBI:6135 AGR:IND23253127 AGR:IND44293716 CAS:40105-60-0 HMDB:HMDB0034213 KEGG:C01590 KNApSAcK:C00002541 LIPID_MAPS_instance:LMPK12050479 MetaCyc:KIEVITONE-CPD PMID:16665944 PMID:21133423 PMID:7794275 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-chromen-4-one Kievitone kievitone chebi_ontology CHEBI:16832 kievitone kievitone AGR:IND23253127 Europe PMC AGR:IND44293716 Europe PMC CAS:40105-60-0 KEGG COMPOUND LIPID_MAPS_instance:LMPK12050479 LIPID MAPS PMID:16665944 Europe PMC PMID:21133423 Europe PMC PMID:7794275 Europe PMC 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 A tripeptide compound consisting of glutamic acid attached via its side chain to the N-terminus of cysteinylglycine. 0 C10H17N3O6S 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 RWSXRVCMGQZWBV-WDSKDSINSA-N 307.320 307.08381 N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O CHEBI:12402 CHEBI:14327 CHEBI:24334 CHEBI:42873 CHEBI:43049 CHEBI:5437 CAS:70-18-8 Chemspider:111188 DrugBank:DB00143 Drug_Central:1312 FooDB:FDB001498 HMDB:HMDB0000125 KEGG:C00051 KEGG:D00014 KNApSAcK:C00001518 MetaCyc:GLUTATHIONE PDBeChem:GSH PMID:10577998 PMID:1362956 PMID:14988435 PMID:16112416 PMID:16316931 PMID:16391576 PMID:16404476 PMID:16621738 PMID:16650398 PMID:16780237 PMID:16877380 PMID:17439666 PMID:19580823 PMID:4200890 PMID:4745654 PMID:8207209 Reaxys:1729812 Wikipedia:Glutathione Glutathione L-gamma-glutamyl-L-cysteinylglycine chebi_ontology 5-L-Glutamyl-L-cysteinylglycine GSH Glutathione-SH N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine Reduced glutathione gamma-L-Glutamyl-L-cysteinyl-glycine CHEBI:16856 glutathione glutathione CAS:70-18-8 ChemIDplus CAS:70-18-8 KEGG COMPOUND Drug_Central:1312 DrugCentral PMID:10577998 Europe PMC PMID:1362956 Europe PMC PMID:14988435 Europe PMC PMID:16112416 Europe PMC PMID:16316931 Europe PMC PMID:16391576 Europe PMC PMID:16404476 Europe PMC PMID:16621738 Europe PMC PMID:16650398 Europe PMC PMID:16780237 Europe PMC PMID:16877380 Europe PMC PMID:17439666 Europe PMC PMID:19580823 Europe PMC PMID:4200890 Europe PMC PMID:4745654 Europe PMC PMID:8207209 Europe PMC Reaxys:1729812 Reaxys Glutathione KEGG_COMPOUND L-gamma-glutamyl-L-cysteinylglycine IUPAC 5-L-Glutamyl-L-cysteinylglycine KEGG_COMPOUND GSH KEGG_COMPOUND Glutathione-SH HMDB 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 ortho position. It is obtained from the bark of the white willow and wintergreen leaves. 0 C7H6O3 InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) YGSDEFSMJLZEOE-UHFFFAOYSA-N 138.12070 138.03169 OC(=O)c1ccccc1O CHEBI:26597 CHEBI:45521 CHEBI:9006 Beilstein:774890 CAS:69-72-7 DrugBank:DB00936 Drug_Central:2416 Gmelin:3418 HMDB:HMDB0001895 KEGG:C00805 KEGG:D00097 KNApSAcK:C00000206 LINCS:LSM-4763 MetaCyc:CPD-110 PDBeChem:SAL PMID:11016405 PMID:12865403 PMID:1650428 PMID:19400653 PMID:19816125 PMID:22770225 PMID:29079364 PMID:32807953 PMID:3425858 Reaxys:774890 Wikipedia:Salicylic_Acid 2-hydroxybenzoic acid Salicylic acid chebi_ontology 2-HYDROXYBENZOIC ACID 2-carboxyphenol o-Hydroxybenzoic acid o-carboxyphenol o-hydroxybenzoic acid CHEBI:16914 salicylic acid salicylic acid Beilstein:774890 Beilstein CAS:69-72-7 ChemIDplus CAS:69-72-7 KEGG COMPOUND CAS:69-72-7 NIST Chemistry WebBook Drug_Central:2416 DrugCentral Gmelin:3418 Gmelin PMID:11016405 Europe PMC PMID:12865403 Europe PMC PMID:1650428 Europe PMC PMID:19400653 Europe PMC PMID:19816125 Europe PMC PMID:22770225 Europe PMC PMID:29079364 Europe PMC PMID:32807953 Europe PMC PMID:3425858 Europe PMC Reaxys:774890 Reaxys 2-hydroxybenzoic acid IUPAC Salicylic acid KEGG_COMPOUND 2-HYDROXYBENZOIC ACID PDBeChem 2-carboxyphenol NIST_Chemistry_WebBook o-Hydroxybenzoic acid KEGG_COMPOUND o-carboxyphenol NIST_Chemistry_WebBook o-hydroxybenzoic acid NIST_Chemistry_WebBook A phytosterol consisting of ergostane having double bonds at the 5,6-, 7,8- and 22,23-positions as well as a 3beta-hydroxy group. 0 C28H44O 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 DNVPQKQSNYMLRS-APGDWVJJSA-N 396.64836 396.33922 [H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)\C=C\[C@H](C)C(C)C CHEBI:14214 CHEBI:23942 CHEBI:42264 CHEBI:4825 Beilstein:2338604 CAS:57-87-4 DrugBank:DB04038 KEGG:C01694 KNApSAcK:C00003652 KNApSAcK:C00023755 LIPID_MAPS_instance:LMST01030093 PDBeChem:ERG Reaxys:2338604 (22E)-ergosta-5,7,22-trien-3beta-ol ERGOSTEROL Ergosterol ergosterol chebi_ontology (22E,24S)-24-methylcholesta-5,7,22-trien-3beta-ol Provitamin D2 CHEBI:16933 ergosterol ergosterol Beilstein:2338604 Beilstein CAS:57-87-4 ChemIDplus CAS:57-87-4 KEGG COMPOUND CAS:57-87-4 NIST Chemistry WebBook LIPID_MAPS_instance:LMST01030093 LIPID MAPS Reaxys:2338604 Reaxys (22E)-ergosta-5,7,22-trien-3beta-ol IUPAC ERGOSTEROL PDBeChem Ergosterol KEGG_COMPOUND ergosterol UniProt (22E,24S)-24-methylcholesta-5,7,22-trien-3beta-ol JCBN Provitamin D2 KEGG_COMPOUND An apigenin flavone glycoside, which is found in the passion flower, bamboo leaves and pearl millet 0 C21H20O10 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 SGEWCQFRYRRZDC-VPRICQMDSA-N 432.37750 432.10565 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 CHEBI:10012 CHEBI:15315 CHEBI:27308 CAS:3681-93-4 KEGG:C01460 KNApSAcK:C00001110 LIPID_MAPS_instance:LMPK12110194 MetaCyc:VITEXIN PMID:21809948 PMID:22408451 PMID:22683902 PMID:22941432 PMID:23099258 Reaxys:67796 Wikipedia:Vitexin (1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol Vitexin chebi_ontology Apigenin 8-C-glucoside apigenin 8-C-glucoside CHEBI:16954 vitexin vitexin CAS:3681-93-4 ChemIDplus CAS:3681-93-4 KEGG COMPOUND LIPID_MAPS_instance:LMPK12110194 LIPID MAPS PMID:21809948 Europe PMC PMID:22408451 Europe PMC PMID:22683902 Europe PMC PMID:22941432 Europe PMC PMID:23099258 Europe PMC Reaxys:67796 Reaxys (1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol IUPAC Vitexin KEGG_COMPOUND Apigenin 8-C-glucoside 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:C01923 Heteroglycan chebi_ontology Heteropolysaccharide heteroglycans CHEBI:16966 heteroglycan heteroglycan Heteroglycan KEGG_COMPOUND Heteropolysaccharide KEGG_COMPOUND heteroglycans ChEBI An alpha,omega-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2. 0 C2H2O4 InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6) MUBZPKHOEPUJKR-UHFFFAOYSA-N 90.03490 89.99531 OC(=O)C(O)=O CHEBI:25730 CHEBI:44583 CHEBI:7811 Beilstein:385686 CAS:144-62-7 DrugBank:DB03902 Gmelin:2208 HMDB:HMDB0002329 KEGG:C00209 KNApSAcK:C00001198 LIPID_MAPS_instance:LMFA01170031 MetaCyc:OXALATE PDBeChem:OXD PMID:15587083 PMID:22735334 Reaxys:385686 Wikipedia:Oxalic_acid OXALIC ACID Oxalic acid oxalic acid chebi_ontology Ethandisaeure Ethanedioic acid H2ox HOOCCOOH Oxalsaeure ethane-1,2-dioic acid CHEBI:16995 oxalic acid oxalic acid Beilstein:385686 Beilstein CAS:144-62-7 ChemIDplus CAS:144-62-7 KEGG COMPOUND CAS:144-62-7 NIST Chemistry WebBook Gmelin:2208 Gmelin LIPID_MAPS_instance:LMFA01170031 LIPID MAPS PMID:15587083 Europe PMC PMID:22735334 Europe PMC Reaxys:385686 Reaxys OXALIC ACID PDBeChem Oxalic acid KEGG_COMPOUND oxalic acid IUPAC Ethandisaeure ChEBI Ethanedioic acid KEGG_COMPOUND H2ox IUPAC HOOCCOOH NIST_Chemistry_WebBook Oxalsaeure ChEBI ethane-1,2-dioic acid NIST_Chemistry_WebBook D-Ribitol in which the hydroxy group at position 5 is substituted by a 7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl moiety. It is a nutritional factor found in milk, eggs, malted barley, liver, kidney, heart, and leafy vegetables, but the richest natural source is yeast. The free form occurs only in the retina of the eye, in whey, and in urine; its principal forms in tissues and cells are as flavin mononucleotide and flavin-adenine dinucleotide. 0 C17H20N4O6 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 AUNGANRZJHBGPY-SCRDCRAPSA-N 376.369 376.13828 CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1 CHEBI:15044 CHEBI:27299 CHEBI:45214 CHEBI:529204 CHEBI:8843 Beilstein:97831 CAS:83-88-5 Chemspider:431981 DrugBank:DB00140 Drug_Central:2834 FooDB:FDB012160 HMDB:HMDB0000244 KEGG:C00255 KEGG:D00050 KNApSAcK:C00001552 LINCS:LSM-4084 MetaCyc:RIBOFLAVIN PDBeChem:RBF PMID:10566553 PMID:11399071 PMID:11606856 PMID:12083520 PMID:12354259 PMID:12927541 PMID:14963913 PMID:16273338 PMID:16460756 PMID:16658098 PMID:182198 PMID:18832377 PMID:19169240 PMID:19212411 PMID:19854891 PMID:22770225 PMID:2369885 PMID:23818044 PMID:24643482 PMID:24816110 PMID:25108762 PMID:25468971 PMID:25887755 PMID:2631092 PMID:29937405 PMID:3142982 PMID:33154451 PMID:33304888 PMID:33886098 PMID:33892358 PMID:34156642 PMID:3592624 PMID:3878498 PMID:4019261 PMID:6475825 PMID:6546833 PMID:6650303 PMID:7101408 PMID:7883462 PMID:8487103 PMID:8604671 PMID:8678471 PMID:8976642 PMID:9184778 PMID:9808225 PMID:9874201 Patent:US2807611 Patent:US2876169 Reaxys:97831 Wikipedia: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)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 riboflavin Beilstein:97831 Beilstein CAS:83-88-5 ChemIDplus CAS:83-88-5 KEGG COMPOUND CAS:83-88-5 NIST Chemistry WebBook Drug_Central:2834 DrugCentral PMID:10566553 Europe PMC PMID:11399071 Europe PMC PMID:11606856 Europe PMC PMID:12083520 Europe PMC PMID:12354259 Europe PMC PMID:12927541 Europe PMC PMID:14963913 Europe PMC PMID:16273338 Europe PMC PMID:16460756 Europe PMC PMID:16658098 Europe PMC PMID:182198 Europe PMC PMID:18832377 Europe PMC PMID:19169240 Europe PMC PMID:19212411 Europe PMC PMID:19854891 Europe PMC PMID:22770225 Europe PMC PMID:2369885 Europe PMC PMID:23818044 Europe PMC PMID:24643482 Europe PMC PMID:24816110 Europe PMC PMID:25108762 Europe PMC PMID:25468971 Europe PMC PMID:25887755 Europe PMC PMID:2631092 Europe PMC PMID:29937405 Europe PMC PMID:3142982 Europe PMC PMID:33154451 Europe PMC PMID:33304888 Europe PMC PMID:33886098 Europe PMC PMID:33892358 Europe PMC PMID:34156642 Europe PMC PMID:3592624 Europe PMC PMID:3878498 Europe PMC PMID:4019261 Europe PMC PMID:6475825 Europe PMC PMID:6546833 Europe PMC PMID:6650303 Europe PMC PMID:7101408 Europe PMC PMID:7883462 Europe PMC PMID:8487103 Europe PMC PMID:8604671 Europe PMC PMID:8678471 Europe PMC PMID:8976642 Europe PMC PMID:9184778 Europe PMC PMID:9808225 Europe PMC PMID:9874201 Europe PMC Reaxys:97831 Reaxys 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_Chemistry_WebBook 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 beta-(1->4)-linked D-glucose (G) and D-mannose (M) in a proportion of 5:8. The basic polymeric repeating unit has the pattern: GGMMGMMMMMGGM, with branching through beta-(1->3)- and beta-(1->6)-glucosyl linkages. Acetate groups are present on C-6 every 9-19 units of the main chain. CHEBI:11105 CHEBI:11106 CHEBI:18834 CHEBI:24263 CHEBI:283 CHEBI:5410 CAS:76081-94-2 KEGG:C01810 KEGG:C02101 KEGG:G11598 PMID:12356785 PMID:12569112 PMID:14983741 PMID:19108925 PMID:2840365 PMID:6096282 PMID:7872224 PMID:8365697 PMID:9742462 Reaxys:11315759 Reaxys:8188346 Glucomannan chebi_ontology (Glucomannan)n (Glucomannan)n+1 Glucomannoglycan CHEBI:17020 glucomannan glucomannan CAS:76081-94-2 ChemIDplus PMID:12356785 Europe PMC PMID:12569112 Europe PMC PMID:14983741 Europe PMC PMID:19108925 Europe PMC PMID:2840365 Europe PMC PMID:6096282 Europe PMC PMID:7872224 Europe PMC PMID:8365697 Europe PMC PMID:9742462 Europe PMC Reaxys:11315759 Reaxys Reaxys:8188346 Reaxys Glucomannan KEGG_COMPOUND (Glucomannan)n KEGG_COMPOUND (Glucomannan)n+1 KEGG_COMPOUND Glucomannoglycan KEGG_COMPOUND An aminoglycan consisting of beta-(1->4)-linked N-acetyl-D-glucosamine residues. 0 H2O(C8H13NO5)n CHEBI:13962 CHEBI:23099 CHEBI:3596 CAS:1398-61-4 KEGG:C00461 KEGG:G10483 (1->4)-2-acetamido-2-deoxy-beta-D-glucan Chitin chitin chebi_ontology [1,4-(N-Acetyl-beta-D-glucosaminyl)]n [4)-beta-D-GlcpNAc(1->]n beta-1,4-Poly-N-acetyl-D-glucosamine CHEBI:17029 chitin chitin CAS:1398-61-4 KEGG COMPOUND (1->4)-2-acetamido-2-deoxy-beta-D-glucan IUPAC Chitin KEGG_COMPOUND chitin IUPAC chitin UniProt [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 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. 0 C12H10O InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H LLEMOWNGBBNAJR-UHFFFAOYSA-N 170.20720 170.07316 Oc1ccccc1-c1ccccc1 CHEBI:1146 CHEBI:11591 CHEBI:19629 CAS:90-43-7 Drug_Central:4768 HMDB:HMDB0032582 KEGG:C02499 KEGG:D08367 PMID:14753781 PMID:23156781 PMID:23665931 PMID:24525378 PPDB:1340 Reaxys:606907 UM-BBD_compID:c0269 Wikipedia:Biphenyl-2-ol [1,1'-biphenyl]-2-ol biphenyl-2-ol chebi_ontology 2-Biphenylol 2-Hydroxybiphenyl 2-Phenylphenol Orthophenyl phenol o-diphenylol o-hydroxybiphenyl o-hydroxydiphenyl o-phenylphenol CHEBI:17043 biphenyl-2-ol biphenyl-2-ol CAS:90-43-7 ChemIDplus CAS:90-43-7 KEGG COMPOUND CAS:90-43-7 NIST Chemistry WebBook Drug_Central:4768 DrugCentral PMID:14753781 Europe PMC PMID:23156781 Europe PMC PMID:23665931 Europe PMC PMID:24525378 Europe PMC Reaxys:606907 Reaxys UM-BBD_compID:c0269 UM-BBD [1,1'-biphenyl]-2-ol IUPAC biphenyl-2-ol UniProt 2-Biphenylol KEGG_COMPOUND 2-Hydroxybiphenyl KEGG_COMPOUND 2-Phenylphenol KEGG_COMPOUND Orthophenyl phenol KEGG_COMPOUND o-diphenylol ChemIDplus o-hydroxybiphenyl ChemIDplus o-hydroxydiphenyl NIST_Chemistry_WebBook o-phenylphenol ChemIDplus -1 F InChI=1S/FH/h1H/p-1 KRHYYFGTRYWZRS-UHFFFAOYSA-M 18.99840 18.99895 [F-] CHEBI:14271 CHEBI:49593 CHEBI:5113 CAS:16984-48-8 Gmelin:14905 KEGG:C00742 PDBeChem:F Fluoride fluoride fluoride(1-) chebi_ontology F(-) F- FLUORIDE ION Fluoride ion Fluorine anion CHEBI:17051 fluoride fluoride CAS:16984-48-8 ChemIDplus CAS:16984-48-8 NIST Chemistry WebBook Gmelin:14905 Gmelin Fluoride KEGG_COMPOUND fluoride IUPAC fluoride UniProt fluoride(1-) IUPAC F(-) IUPAC F- KEGG_COMPOUND FLUORIDE ION PDBeChem Fluoride ion KEGG_COMPOUND Fluorine anion NIST_Chemistry_WebBook The meso-diastereomer of butane-1,2,3,4-tetrol. 0 C4H10O4 InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+ UNXHWFMMPAWVPI-ZXZARUISSA-N 122.11980 122.05791 OC[C@H](O)[C@H](O)CO CHEBI:14215 CHEBI:23946 CHEBI:372804 CHEBI:44263 CHEBI:4840 Beilstein:1719753 CAS:149-32-6 DrugBank:DB04481 Gmelin:82499 HMDB:HMDB0002994 KEGG:C00503 KNApSAcK:C00001161 MetaCyc:ERYTHRITOL PDBeChem:MRY PMCID:PMC9193570 PMID:12639570 PMID:163226 PMID:16901854 PMID:17336832 PMID:17979222 PMID:18369603 PMID:19632091 PMID:19804861 PMID:22770225 PMID:23421980 PMID:23574577 PMID:23890177 PMID:24643482 PMID:25108762 PMID:35289142 PMID:35364613 PMID:35575772 PMID:36276829 PMID:36354105 PMID:36478868 PMID:36547619 PMID:36615861 PMID:36849732 PMID:9862657 Reaxys:1735878 Wikipedia:Erythritol Erythritol erythritol meso-erythritol chebi_ontology (2R,3S)-butane-1,2,3,4-tetrol Erythrit Erythrite Erythrol L-erythritol MESO-ERYTHRITOL Phycite Phycitol erythro-tetritol mesoerythritol CHEBI:17113 erythritol erythritol Beilstein:1719753 Beilstein CAS:149-32-6 ChemIDplus CAS:149-32-6 KEGG COMPOUND CAS:149-32-6 NIST Chemistry WebBook Gmelin:82499 Gmelin PMCID:PMC9193570 Europe PMC PMID:12639570 ChEMBL PMID:163226 Europe PMC PMID:16901854 Europe PMC PMID:17336832 Europe PMC PMID:17979222 Europe PMC PMID:18369603 Europe PMC PMID:19632091 Europe PMC PMID:19804861 Europe PMC PMID:22770225 Europe PMC PMID:23421980 Europe PMC PMID:23574577 Europe PMC PMID:23890177 Europe PMC PMID:24643482 Europe PMC PMID:25108762 Europe PMC PMID:35289142 Europe PMC PMID:35364613 Europe PMC PMID:35575772 Europe PMC PMID:36276829 Europe PMC PMID:36354105 Europe PMC PMID:36478868 Europe PMC PMID:36547619 Europe PMC PMID:36615861 Europe PMC PMID:36849732 Europe PMC PMID:9862657 Europe PMC Reaxys:1735878 Reaxys Erythritol KEGG_COMPOUND erythritol UniProt meso-erythritol IUPAC (2R,3S)-butane-1,2,3,4-tetrol IUPAC Erythrit NIST_Chemistry_WebBook Erythrite KEGG_COMPOUND Erythrol KEGG_COMPOUND L-erythritol ChEBI MESO-ERYTHRITOL PDBeChem Phycite KEGG_COMPOUND Phycitol KEGG_COMPOUND erythro-tetritol IUPAC mesoerythritol ChemIDplus A pentitol (five-carbon sugar alcohol) having meso-configuration, being derived from xylose by reduction of the carbonyl group. 0 C5H12O5 InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5+ HEBKCHPVOIAQTA-SCDXWVJYSA-N 152.14580 152.06847 OC[C@H](O)[C@@H](O)[C@H](O)CO CHEBI:10078 CHEBI:15328 CHEBI:253147 CHEBI:27339 CHEBI:46522 CHEBI:60939 Beilstein:1720523 CAS:87-99-0 DrugBank:DB01904 Drug_Central:4604 Gmelin:82893 HMDB:HMDB0002917 KEGG:C00379 KEGG:D00061 MetaCyc:XYLITOL PDBeChem:XYL PMID:11154411 PMID:11163479 PMID:12061879 PMID:15377394 PMID:16708791 PMID:16901854 PMID:17216457 PMID:17216458 PMID:17336832 PMID:17979222 PMID:18316079 PMID:20030329 PMID:22735334 PMID:22791282 PMID:23247825 PMID:23287496 PMID:23338824 PMID:23589387 PMID:23597921 PMID:23615861 PMID:23796483 PMID:23916161 PMID:23957303 PMID:24012734 PMID:24643482 PMID:25108762 Reaxys:1720523 Wikipedia:Xylitol (2R,3r,4S)-pentane-1,2,3,4,5-pentol Xylitol meso-xylitol xylitol chebi_ontology (2R,3R,4S)-Pentane-1,2,3,4,5-pentaol D-XYLITOL L-xylitol Xylit xylite CHEBI:17151 xylitol xylitol Beilstein:1720523 ChemIDplus CAS:87-99-0 ChemIDplus CAS:87-99-0 KEGG COMPOUND CAS:87-99-0 NIST Chemistry WebBook Drug_Central:4604 DrugCentral Gmelin:82893 Gmelin PMID:11154411 Europe PMC PMID:11163479 Europe PMC PMID:12061879 ChEMBL PMID:15377394 Europe PMC PMID:16708791 Europe PMC PMID:16901854 Europe PMC PMID:17216457 Europe PMC PMID:17216458 Europe PMC PMID:17336832 Europe PMC PMID:17979222 Europe PMC PMID:18316079 Europe PMC PMID:20030329 Europe PMC PMID:22735334 Europe PMC PMID:22791282 Europe PMC PMID:23247825 Europe PMC PMID:23287496 Europe PMC PMID:23338824 Europe PMC PMID:23589387 Europe PMC PMID:23597921 Europe PMC PMID:23615861 Europe PMC PMID:23796483 Europe PMC PMID:23916161 Europe PMC PMID:23957303 Europe PMC PMID:24012734 Europe PMC PMID:24643482 Europe PMC PMID:25108762 Europe PMC Reaxys:1720523 Reaxys (2R,3r,4S)-pentane-1,2,3,4,5-pentol IUPAC Xylitol KEGG_COMPOUND meso-xylitol IUPAC xylitol UniProt (2R,3R,4S)-Pentane-1,2,3,4,5-pentaol ChEMBL D-XYLITOL PDBeChem L-xylitol ChEBI Xylit ChEBI xylite NIST_Chemistry_WebBook A tetrasaccharide consisting of sucrose having an alpha-D-galactosyl-(1->6)-alpha-D-galactosyl moiety attached at the 6-position of the glucose. 0 C24H42O21 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 UQZIYBXSHAGNOE-XNSRJBNMSA-N 666.57770 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 CHEBI:15105 CHEBI:26749 CHEBI:9248 CAS:10094-58-3 CAS:470-55-3 HMDB:HMDB0003553 KEGG:C01613 KEGG:G00278 KNApSAcK:C00001150 PMID:10334866 PMID:10652123 PMID:11789231 PMID:1255266 PMID:12801075 PMID:16656948 PMID:16658766 PMID:16666190 PMID:16668659 PMID:18970754 PMID:21421343 PMID:7524207 PMID:8479952 PMID:8528153 PMID:9629861 Reaxys:1445746 Reaxys:1696669 Reaxys:74246 Wikipedia:Stachyose Stachyose beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside stachyose chebi_ontology O-alpha-D-galactopyranosyl-(1->6)o-alpha-D-galactopyranosyl-(1->6)O-alpha-D-galactopyranosyl-beta-D-fructofuranoside alpha-D-Galp-(1->6)-alpha-D-Galp-(1->6)-alpha-D-Glcp-(1<->2)-beta-D-Fruf CHEBI:17164 stachyose stachyose CAS:10094-58-3 KEGG COMPOUND CAS:470-55-3 ChemIDplus CAS:470-55-3 KEGG COMPOUND PMID:10334866 Europe PMC PMID:10652123 Europe PMC PMID:11789231 Europe PMC PMID:1255266 Europe PMC PMID:12801075 Europe PMC PMID:16656948 Europe PMC PMID:16658766 Europe PMC PMID:16666190 Europe PMC PMID:16668659 Europe PMC PMID:18970754 Europe PMC PMID:21421343 Europe PMC PMID:7524207 Europe PMC PMID:8479952 Europe PMC PMID:8528153 Europe PMC PMID:9629861 Europe PMC Reaxys:1445746 Reaxys Reaxys:1696669 Reaxys Reaxys:74246 Reaxys Stachyose KEGG_COMPOUND beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside IUPAC stachyose UniProt O-alpha-D-galactopyranosyl-(1->6)o-alpha-D-galactopyranosyl-(1->6)O-alpha-D-galactopyranosyl-beta-D-fructofuranoside ChEBI alpha-D-Galp-(1->6)-alpha-D-Galp-(1->6)-alpha-D-Glcp-(1<->2)-beta-D-Fruf JCBN The 1-carboxy-2-(2,4-dihydroxyphenyl)ethyl ester of trans-caffeic acid. 0 C18H16O8 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+ DOUMFZQKYFQNTF-ZZXKWVIFSA-N 360.31480 360.08452 OC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 CHEBI:15055 CHEBI:26582 CHEBI:8894 CHEBI:8895 CAS:537-15-5 PMID:12482446 PMID:20071057 PMID:21364781 PMID:21838541 PMID:22236574 PMID:22439433 PMID:23016274 PMID:23116643 PMID:23122135 PMID:23381830 PMID:23414442 PMID:23548128 PMID:24085626 PMID:24097334 PMID:24262570 3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid chebi_ontology 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 CAS:537-15-5 ChemIDplus PMID:12482446 Europe PMC PMID:20071057 Europe PMC PMID:21364781 Europe PMC PMID:21838541 Europe PMC PMID:22236574 Europe PMC PMID:22439433 Europe PMC PMID:23016274 Europe PMC PMID:23116643 Europe PMC PMID:23122135 Europe PMC PMID:23381830 Europe PMC PMID:23414442 Europe PMC PMID:23548128 Europe PMC PMID:24085626 Europe PMC PMID:24097334 Europe PMC PMID:24262570 Europe PMC 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. 0 C6H12O6 180.15588 180.06339 CHEBI:14313 CHEBI:24277 CHEBI:33929 CHEBI:5418 CAS:50-99-7 KEGG:C00293 Wikipedia:Glucose Glucose gluco-hexose glucose chebi_ontology DL-glucose Glc Glukose CHEBI:17234 glucose glucose CAS:50-99-7 KEGG COMPOUND Glucose KEGG_COMPOUND gluco-hexose IUPAC glucose IUPAC DL-glucose ChEBI Glc JCBN Glukose ChEBI A methylcatechol having a single methyl substituent at the 4-position. It has been isolated from Picea abies. 0 C7H8O2 InChI=1S/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3 ZBCATMYQYDCTIZ-UHFFFAOYSA-N 124.13720 124.05243 Cc1ccc(O)c(O)c1 CHEBI:12025 CHEBI:1897 CHEBI:20442 CHEBI:43962 CAS:452-86-8 DrugBank:DB04120 HMDB:HMDB0000873 KEGG:C06730 KNApSAcK:C00002660 PDBeChem:MCT PMID:18499097 Reaxys:636512 UM-BBD_compID:c0126 Wikipedia:4-Methylcatechol 4-Methylcatechol 4-methylbenzene-1,2-diol 4-methylcatechol 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-Methylpyrocatechol 4-methyl-1,2-benzenediol Homocatechol Homopyrocatechol Toluene-3,4-diol p-Methylcatechol p-Methylpyrocatechol CHEBI:17254 4-methylcatechol CAS:452-86-8 ChemIDplus CAS:452-86-8 KEGG COMPOUND CAS:452-86-8 NIST Chemistry WebBook PMID:18499097 Europe PMC Reaxys:636512 Reaxys UM-BBD_compID:c0126 UM-BBD 4-Methylcatechol KEGG_COMPOUND 4-methylbenzene-1,2-diol IUPAC 4-methylcatechol UniProt 1,2-Dihydroxy-4-methylbenzene KEGG_COMPOUND 1,2-dihydroxy-4-methylbenzene ChEBI 2-Hydroxy-4-methylphenol NIST_Chemistry_WebBook 3,4-Dihydroxytoluene KEGG_COMPOUND 3,4-dihydroxytoluene ChEBI 4-Methyl-1,2-benzenediol KEGG_COMPOUND 4-Methyl-1,2-dihydroxybenzene ChemIDplus 4-Methylpyrocatechol ChemIDplus 4-methyl-1,2-benzenediol ChEBI Homocatechol ChemIDplus Homopyrocatechol NIST_Chemistry_WebBook Toluene-3,4-diol ChemIDplus p-Methylcatechol ChemIDplus p-Methylpyrocatechol ChemIDplus An inositol having myo- configuration. 0 C6H12O6 InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6- CDAISMWEOUEBRE-GPIVLXJGSA-N 180.15588 180.06339 O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O CHEBI:10601 CHEBI:12826 CHEBI:12831 CHEBI:25451 CHEBI:43559 Beilstein:1907329 CAS:87-89-8 DrugBank:DB03106 Drug_Central:1444 Gmelin:82918 HMDB:HMDB0000211 KEGG:C00137 KEGG:D08079 KNApSAcK:C00001164 MetaCyc:MYO-INOSITOL PDBeChem:INS PMID:11034685 PMID:11244303 PMID:11323092 PMID:11772411 PMID:12478879 PMID:12832083 PMID:14583919 PMID:14681857 PMID:15181167 PMID:15295080 PMID:15558078 PMID:16410747 PMID:1694860 PMID:17439666 PMID:17722064 PMID:18650262 PMID:18854045 PMID:19097871 PMID:19383710 PMID:22285975 PMID:22461977 PMID:22517104 PMID:838172 Reaxys:1907329 Wikipedia: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 CHEBI:17268 myo-inositol myo-inositol Beilstein:1907329 Beilstein CAS:87-89-8 ChemIDplus CAS:87-89-8 KEGG COMPOUND CAS:87-89-8 NIST Chemistry WebBook Drug_Central:1444 DrugCentral Gmelin:82918 Gmelin PMID:11034685 Europe PMC PMID:11244303 Europe PMC PMID:11323092 Europe PMC PMID:11772411 Europe PMC PMID:12478879 Europe PMC PMID:12832083 Europe PMC PMID:14583919 Europe PMC PMID:14681857 Europe PMC PMID:15181167 Europe PMC PMID:15295080 Europe PMC PMID:15558078 Europe PMC PMID:16410747 Europe PMC PMID:1694860 Europe PMC PMID:17439666 Europe PMC PMID:17722064 Europe PMC PMID:18650262 Europe PMC PMID:18854045 Europe PMC PMID:19097871 Europe PMC PMID:19383710 Europe PMC PMID:22285975 Europe PMC PMID:22461977 Europe PMC PMID:22517104 Europe PMC PMID:838172 Europe PMC Reaxys:1907329 Reaxys myo-Inositol KEGG_COMPOUND myo-inositol IUPAC myo-inositol UniProt (1r,2R,3S,4s,5R,6S)-cyclohexane-1,2,3,4,5,6-hexol IUPAC 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE PDBeChem 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 A member of the class of dihydrochalcones that is dihydrochalcone substituted by hydroxy groups at positions 4, 2', 4' and 6'. 0 C15H14O5 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 VGEREEWJJVICBM-UHFFFAOYSA-N 274.26866 274.08412 Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1 CHEBI:14787 CHEBI:26014 CHEBI:42649 CHEBI:8111 CAS:60-82-2 DrugBank:DB07810 HMDB:HMDB0003306 KEGG:C00774 KNApSAcK:C00007936 LINCS:LSM-6221 LIPID_MAPS_instance:LMPK12120525 MetaCyc:PHLORETIN PDBeChem:G50 PMID:18767070 PMID:23907072 PMID:24487097 PMID:7126563 Patent:CN102701938 Patent:CN103230408 Reaxys:1887240 Wikipedia:Phloretin 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one Phloretin phloretin chebi_ontology 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone CHEBI:17276 phloretin phloretin CAS:60-82-2 ChemIDplus CAS:60-82-2 KEGG COMPOUND LIPID_MAPS_instance:LMPK12120525 LIPID MAPS PMID:18767070 Europe PMC PMID:23907072 Europe PMC PMID:24487097 Europe PMC PMID:7126563 Europe PMC Reaxys:1887240 Reaxys 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one IUPAC Phloretin KEGG_COMPOUND phloretin UniProt 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone ChEBI A glycosylglucose consisting of two D-glucopyranose units connected by an alpha-(1->4)-linkage. 0 C12H22O11 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 GUBGYTABKSRVRQ-PICCSMPSSA-N 342.29648 342.11621 OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O CHEBI:14568 CHEBI:25144 CHEBI:6668 Beilstein:1292747 CAS:69-79-4 DrugBank:DB03323 KEGG:C00208 KEGG:D00044 KEGG:G00275 KNApSAcK:C00001140 PMID:16332759 PMID:17723085 PMID:22094343 PMID:22185612 PMID:22246222 PMID:22252265 PMID:22411612 PMID:22424089 PMID:22451670 PMID:22469630 PMID:22529943 PMID:22573161 PMID:22669197 Reaxys:1292747 Wikipedia:Maltose 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 Malzzucker alpha-D-Glcp-(1->4)-D-Glcp alpha-D-Glucopyranosyl-(1->4)-D-glucopyranose alpha-malt sugar maltobiose CHEBI:17306 maltose maltose Beilstein:1292747 Beilstein CAS:69-79-4 ChemIDplus CAS:69-79-4 KEGG COMPOUND CAS:69-79-4 NIST Chemistry WebBook PMID:16332759 Europe PMC PMID:17723085 Europe PMC PMID:22094343 Europe PMC PMID:22185612 Europe PMC PMID:22246222 Europe PMC PMID:22252265 Europe PMC PMID:22411612 Europe PMC PMID:22424089 Europe PMC PMID:22451670 Europe PMC PMID:22469630 Europe PMC PMID:22529943 Europe PMC PMID:22573161 Europe PMC PMID:22669197 Europe PMC Reaxys:1292747 Reaxys Maltose KEGG_COMPOUND 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_Chemistry_WebBook 4-(alpha-D-glucosido)-D-glucose NIST_Chemistry_WebBook 4-O-alpha-D-glucopyranosyl-D-glucopyranose IUPAC 4-O-alpha-D-glucopyranosyl-D-glucose NIST_Chemistry_WebBook Cextromaltose NIST_Chemistry_WebBook D-(+)-maltose ChemIDplus D-maltose NIST_Chemistry_WebBook D-maltose UniProt Malt sugar KEGG_COMPOUND Malzzucker ChEBI alpha-D-Glcp-(1->4)-D-Glcp IUPAC alpha-D-Glucopyranosyl-(1->4)-D-glucopyranose KEGG_COMPOUND alpha-malt sugar NIST_Chemistry_WebBook maltobiose NIST_Chemistry_WebBook Any mixture of complex, colloidal, macromolecular plant galacturonans containing a large proportion of D-galactopyranosyluronic acid residues in alpha-(1->4) linkage, the carboxy groups of which may be esterified to varying degrees by methyl groups or be partially or completely converted into salts. The structure shown is that of the parent polygalacturonan. 0 H2O(C6H8O6)n CHEBI:14741 CHEBI:26180 CHEBI:7946 CAS:9000-69-5 HMDB:HMDB0003402 KEGG:C00714 KEGG:D02316 KEGG:G10591 MetaCyc:PECTATE PMID:10093966 PMID:17930085 PMID:24751282 PMID:24798790 PMID:7446458 PMID:7960137 PMID:890983 Reaxys:8539058 Wikipedia:Pectin Pectin chebi_ontology Pektin Pektine Poly(1,4-alpha-D-galacturonide) pectic substance pectina pectinas pectine pectines pectins poly[(1->4)-alpha-D-GalpA] CHEBI:17309 pectin pectin CAS:9000-69-5 ChemIDplus CAS:9000-69-5 KEGG COMPOUND PMID:10093966 Europe PMC PMID:17930085 Europe PMC PMID:24751282 Europe PMC PMID:24798790 Europe PMC PMID:7446458 Europe PMC PMID:7960137 Europe PMC PMID:890983 Europe PMC Reaxys:8539058 Reaxys 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. 0 C20H40O 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 BOTWFXYSPFMFNR-PYDDKJGSSA-N 296.53100 296.30792 CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CO CHEBI:14836 CHEBI:26121 CHEBI:8193 CAS:150-86-7 CAS:7541-49-3 HMDB:HMDB0002019 KEGG:C01389 KNApSAcK:C00003467 LIPID_MAPS_instance:LMPR0104010002 MetaCyc:PHYTOL PMID:17015885 PMID:24333358 PMID:24392173 PMID:24422895 Reaxys:7855349 (2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol Phytol phytol chebi_ontology (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-ol trans-Phytol CHEBI:17327 phytol CAS:150-86-7 ChemIDplus CAS:150-86-7 KEGG COMPOUND CAS:7541-49-3 KEGG COMPOUND LIPID_MAPS_instance:LMPR0104010002 LIPID MAPS PMID:17015885 Europe PMC PMID:24333358 Europe PMC PMID:24392173 Europe PMC PMID:24422895 Europe PMC Reaxys:7855349 Reaxys (2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol IUPAC Phytol KEGG_COMPOUND phytol UniProt (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-ol ChEBI trans-Phytol ChemIDplus A retinol in which all four exocyclic double bonds have E- (trans-) geometry. 0 C20H30O 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+ FPIPGXGPPPQFEQ-OVSJKPMPSA-N 286.459 286.22967 C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C CHEBI:12783 CHEBI:22349 CHEBI:8816 Beilstein:403040 CAS:11103-57-4 CAS:68-26-8 Chemspider:393012 DrugBank:DB00162 Drug_Central:2831 Gmelin:247497 HMDB:HMDB0000305 KEGG:C00473 KEGG:C17276 KEGG:D00069 KEGG:D06543 KNApSAcK:C00031437 LIPID_MAPS_instance:LMPR01090001 MetaCyc:CPD-13524 PDBeChem:RTL PMID:10637381 PMID:12074187 PMID:12221269 PMID:12229281 PMID:12548314 PMID:12600856 PMID:1414975 PMID:15041701 PMID:15051608 PMID:15531678 PMID:15622799 PMID:15929633 PMID:16469975 PMID:16507353 PMID:16825693 PMID:17790232 PMID:19264891 PMID:20697621 PMID:2217163 PMID:22444309 PMID:2295828 PMID:25478840 PMID:30510477 PMID:31484771 PMID:7971717 PMID:8464067 PMID:8496140 PMID:9155646 PMID:9736606 Wikipedia: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-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 all-trans-retinol Beilstein:403040 Beilstein CAS:11103-57-4 ChemIDplus CAS:68-26-8 ChemIDplus CAS:68-26-8 KEGG COMPOUND CAS:68-26-8 NIST Chemistry WebBook Drug_Central:2831 DrugCentral Gmelin:247497 Gmelin LIPID_MAPS_instance:LMPR01090001 LIPID MAPS PMID:10637381 Europe PMC PMID:12074187 Europe PMC PMID:12221269 Europe PMC PMID:12229281 Europe PMC PMID:12548314 Europe PMC PMID:12600856 Europe PMC PMID:1414975 Europe PMC PMID:15041701 Europe PMC PMID:15051608 Europe PMC PMID:15531678 Europe PMC PMID:15622799 Europe PMC PMID:15929633 Europe PMC PMID:16469975 Europe PMC PMID:16507353 Europe PMC PMID:16825693 Europe PMC PMID:17790232 Europe PMC PMID:19264891 Europe PMC PMID:20697621 Europe PMC PMID:2217163 Europe PMC PMID:22444309 Europe PMC PMID:2295828 Europe PMC PMID:25478840 Europe PMC PMID:30510477 Europe PMC PMID:31484771 Europe PMC PMID:7971717 Europe PMC PMID:8464067 Europe PMC PMID:8496140 Europe PMC PMID:9155646 Europe PMC PMID:9736606 Europe PMC all-trans-Retinol KEGG_COMPOUND all-trans-retinol IUPAC all-trans-retinol UniProt (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-retinyl alcohol ChemIDplus all-trans-vitamin A ChemIDplus all-trans-vitamin A alcohol NIST_Chemistry_WebBook 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 Z (cis) stereochemistry. 0 C18H32O2 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- OYHQOLUKZRVURQ-HZJYTTRNSA-N 280.44550 280.24023 CCCCC\C=C/C\C=C/CCCCCCCC(O)=O CHEBI:25047 CHEBI:42395 CHEBI:6479 Beilstein:1727101 CAS:60-33-3 Drug_Central:3323 Gmelin:57557 HMDB:HMDB0000673 KEGG:C01595 KNApSAcK:C00001224 LIPID_MAPS_instance:LMFA01030120 MetaCyc:LINOLEIC_ACID PDBeChem:EIC PMID:11113630 PMID:11304127 PMID:11322990 PMID:14667063 PMID:14993245 PMID:15115315 PMID:15642793 PMID:15969511 PMID:16254037 PMID:16563718 PMID:17647039 PMID:18044828 PMID:18990554 PMID:19628674 PMID:19936816 PMID:23900039 PMID:24081493 PMID:6205897 Reaxys:1727101 Wikipedia:Linoleic_acid (9Z,12Z)-octadeca-9,12-dienoic acid LINOLEIC ACID Linoleic acid chebi_ontology (9Z,12Z)-Octadecadienoic 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 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 linoleic acid Beilstein:1727101 Beilstein CAS:60-33-3 ChemIDplus CAS:60-33-3 KEGG COMPOUND CAS:60-33-3 NIST Chemistry WebBook Drug_Central:3323 DrugCentral Gmelin:57557 Gmelin LIPID_MAPS_instance:LMFA01030120 LIPID MAPS PMID:11113630 Europe PMC PMID:11304127 Europe PMC PMID:11322990 Europe PMC PMID:14667063 Europe PMC PMID:14993245 Europe PMC PMID:15115315 Europe PMC PMID:15642793 Europe PMC PMID:15969511 Europe PMC PMID:16254037 Europe PMC PMID:16563718 Europe PMC PMID:17647039 Europe PMC PMID:18044828 Europe PMC PMID:18990554 Europe PMC PMID:19628674 Europe PMC PMID:19936816 Europe PMC PMID:23900039 Europe PMC PMID:24081493 Europe PMC PMID:6205897 Europe PMC Reaxys:1727101 Reaxys (9Z,12Z)-octadeca-9,12-dienoic acid IUPAC LINOLEIC ACID PDBeChem Linoleic acid KEGG_COMPOUND (9Z,12Z)-Octadecadienoic acid KEGG_COMPOUND (Z,Z)-9,12-octadecadienoic acid NIST_Chemistry_WebBook 9-cis,12-cis-Octadecadienoic acid KEGG_COMPOUND 9Z,12Z-octadecadienoic acid LIPID_MAPS C18:2 9c, 12c omega6 todos cis-9,12-octadienoico ChEBI C18:2, n-6,9 all-cis ChEBI LA ChEBI 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_Chemistry_WebBook cis-Delta(9,12)-octadecadienoic acid ChemIDplus linolic acid ChEBI A sulfur oxoanion that is the conjugate base of hydrogen sulfite (H2SO3). -2 O3S InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2 LSNNMFCWUKXFEE-UHFFFAOYSA-L 80.06420 79.95791 [O-]S([O-])=O CHEBI:15139 CHEBI:45548 CAS:14265-45-3 Gmelin:1449 PDBeChem:SO3 sulfite trioxidosulfate(2-) trioxosulfate(2-) trioxosulfate(IV) chebi_ontology SO3 SO3(2-) SULFITE ION [SO3](2-) sulphite CHEBI:17359 sulfite sulfite CAS:14265-45-3 ChemIDplus Gmelin:1449 Gmelin sulfite IUPAC sulfite UniProt trioxidosulfate(2-) IUPAC trioxosulfate(2-) IUPAC trioxosulfate(IV) IUPAC SO3 ChEBI SO3(2-) IUPAC SULFITE ION PDBeChem [SO3](2-) IUPAC sulphite ChEBI The cis-isomer of caffeic acid. 0 C9H8O4 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- QAIPRVGONGVQAS-RQOWECAXSA-N 180.15740 180.04226 OC(=O)\C=C/c1ccc(O)c(O)c1 CHEBI:13929 CHEBI:19880 CHEBI:19881 CHEBI:22979 CHEBI:3292 CAS:331-39-5 DrugBank:DB01880 HMDB:HMDB0001964 KEGG:C01481 MetaCyc:CPD-8098 PMID:19812218 PMID:19952409 PMID:24088646 PMID:24138287 PMID:24206679 Reaxys:2210884 (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid cis-Caffeic acid chebi_ontology 3,4-Dihydroxycinnamic acid Caffeate Caffeic acid CHEBI:17395 cis-caffeic acid CAS:331-39-5 ChemIDplus CAS:331-39-5 KEGG COMPOUND PMID:19812218 Europe PMC PMID:19952409 Europe PMC PMID:24088646 Europe PMC PMID:24138287 Europe PMC PMID:24206679 Europe PMC Reaxys:2210884 Reaxys (2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid IUPAC cis-Caffeic acid KEGG_COMPOUND 3,4-Dihydroxycinnamic acid KEGG_COMPOUND Caffeate KEGG_COMPOUND Caffeic acid KEGG_COMPOUND A myo-inositol hexakisphosphate in which each hydroxy group of myo-inositol is monophosphorylated. 0 C6H18O24P6 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- IMQLKJBTEOYOSI-GPIVLXJGSA-N 660.03529 659.86137 OP(O)(=O)O[C@@H]1[C@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]1OP(O)(O)=O CHEBI:10603 CHEBI:11366 CHEBI:12829 CHEBI:12832 CHEBI:19200 Beilstein:2201952 CAS:83-86-3 Drug_Central:3465 KEGG:C01204 MetaCyc:HEXAKISPHOSPHATE PMID:11217149 PMID:11545369 PMID:12070948 PMID:12162428 PMID:12816787 PMID:12949395 PMID:15325752 PMID:15743020 PMID:15918884 PMID:15952339 PMID:15998131 PMID:16438310 PMID:17162330 PMID:18536177 PMID:19331859 PMID:21292245 PMID:22023391 PMID:6095072 Reaxys:2201952 Wikipedia: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 1,2,3,4,5,6-hexakisphosphate CHEBI:17401 myo-inositol hexakisphosphate myo-inositol hexakisphosphate Beilstein:2201952 Beilstein CAS:83-86-3 ChemIDplus Drug_Central:3465 DrugCentral PMID:11217149 Europe PMC PMID:11545369 Europe PMC PMID:12070948 Europe PMC PMID:12162428 Europe PMC PMID:12816787 Europe PMC PMID:12949395 Europe PMC PMID:15325752 Europe PMC PMID:15743020 Europe PMC PMID:15918884 Europe PMC PMID:15952339 Europe PMC PMID:15998131 Europe PMC PMID:16438310 Europe PMC PMID:17162330 Europe PMC PMID:18536177 Europe PMC PMID:19331859 Europe PMC PMID:21292245 Europe PMC PMID:22023391 Europe PMC PMID:6095072 Europe PMC Reaxys:2201952 Reaxys 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 1,2,3,4,5,6-hexakisphosphate ChEBI 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. 0 C63H88CoN14O14P 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 RMRCNWBMXRMIRW-WZHZPDAFSA-L 1355.36520 1354.56740 [H][C@@]1(C)CNC(=O)CC[C@]2(C)[C@@H](CC(N)=O)[C@@]3([H])N4C2=C(C)C2=[N+]5C(=CC6=[N+]7C(=C(C)C8=[N+]([C@]3(C)[C@@](C)(CC(N)=O)[C@@H]8CCC(N)=O)[Co-3]457(C#N)[n+]3cn([C@H]4O[C@H](CO)[C@@H](OP([O-])(=O)O1)[C@H]4O)c1cc(C)c(C)cc31)[C@@](C)(CC(N)=O)[C@@H]6CCC(N)=O)C(C)(C)[C@@H]2CCC(N)=O CHEBI:14041 CHEBI:23435 CHEBI:3979 CHEBI:48820 CHEBI:60496 CAS:68-19-9 DrugBank:DB00115 Gmelin:249901 Gmelin:457955 KEGG:C02823 KEGG:D00166 KNApSAcK:C00001534 PDBeChem:CNC PMID:29286160 Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-cyanocobamide Cyanocob(III)alamin cyanocob(III)alamin chebi_ontology CN-Cbl CO-CYANOCOBALAMIN Dicopac Vitamin B12 complex cyanocobalamin cyanocobalamin (b12) vitamin B-12 CHEBI:17439 cyanocob(III)alamin cyanocob(III)alamin CAS:68-19-9 ChemIDplus CAS:68-19-9 KEGG COMPOUND Gmelin:249901 Gmelin Gmelin:457955 Gmelin PMID:29286160 Europe PMC Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-cyanocobamide IUPAC Cyanocob(III)alamin KEGG_COMPOUND cyanocob(III)alamin IUPAC cyanocob(III)alamin UniProt CN-Cbl CBN CO-CYANOCOBALAMIN PDBeChem Dicopac KEGG_COMPOUND Vitamin B12 complex KEGG_COMPOUND cyanocobalamin KEGG_DRUG vitamin B-12 CBN A monocarboxylic acid that is phenylacetic acid in which the hydrogen at position 3 on the benzene ring is replaced by a hydroxy group. 0 C8H8O3 InChI=1S/C8H8O3/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) FVMDYYGIDFPZAX-UHFFFAOYSA-N 152.14732 152.04734 OC(=O)Cc1cccc(O)c1 CHEBI:11833 CHEBI:1550 CHEBI:20076 CHEBI:39897 Beilstein:2086506 CAS:621-37-4 HMDB:HMDB0000440 KEGG:C05593 MetaCyc:3-HYDROXYPHENYLACETATE PDBeChem:3HP PMID:19083460 PMID:20579527 PMID:22919580 PMID:23319439 PMID:24287915 PMID:5350345 PMID:7264927 Patent:US5639643 Reaxys:2086506 (3-hydroxyphenyl)acetic acid 3-Hydroxyphenylacetic acid 3-hydroxyphenylacetic acid chebi_ontology (m-hydroxyphenyl)acetic acid 3-hydroxybenzeneacetic acid m-hydroxyphenylacetic acid CHEBI:17445 3-hydroxyphenylacetic acid 3-hydroxyphenylacetic acid Beilstein:2086506 Beilstein CAS:621-37-4 ChemIDplus CAS:621-37-4 KEGG COMPOUND PMID:19083460 Europe PMC PMID:20579527 Europe PMC PMID:22919580 Europe PMC PMID:23319439 Europe PMC PMID:24287915 Europe PMC PMID:5350345 Europe PMC PMID:7264927 Europe PMC Reaxys:2086506 Reaxys (3-hydroxyphenyl)acetic acid IUPAC 3-Hydroxyphenylacetic acid KEGG_COMPOUND 3-hydroxyphenylacetic acid UniProt (m-hydroxyphenyl)acetic acid ChemIDplus 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. 0 C10H18O InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+ GLZPCOQZEFWAFX-JXMROGBWSA-N 154.24932 154.13577 CC(C)=CCC\C(C)=C\CO CHEBI:14297 CHEBI:24219 CHEBI:5329 BPDB:2374 Beilstein:1722456 CAS:106-24-1 Gmelin:185248 KEGG:C01500 KNApSAcK:C00000845 LIPID_MAPS_instance:LMPR0102010016 PMID:18824010 PMID:20573166 PMID:23102596 PMID:23108028 PMID:23168261 PMID:23200656 PMID:23399806 PMID:23415329 PMID:23499697 PMID:23510343 VSDB:2374 Wikipedia:Geraniol (2E)-3,7-dimethylocta-2,6-dien-1-ol Geraniol chebi_ontology (2E)-3,7-dimethyl-2,6-octadien-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 geranyl alcohol lemonol t-geraniol trans-3,7-dimethyl-2,6-octadien-1-ol trans-geraniol CHEBI:17447 geraniol Beilstein:1722456 ChemIDplus CAS:106-24-1 ChemIDplus CAS:106-24-1 KEGG COMPOUND CAS:106-24-1 NIST Chemistry WebBook Gmelin:185248 Gmelin LIPID_MAPS_instance:LMPR0102010016 LIPID MAPS PMID:18824010 Europe PMC PMID:20573166 Europe PMC PMID:23102596 Europe PMC PMID:23108028 Europe PMC PMID:23168261 Europe PMC PMID:23200656 Europe PMC PMID:23399806 Europe PMC PMID:23415329 Europe PMC PMID:23499697 Europe PMC PMID:23510343 Europe PMC (2E)-3,7-dimethylocta-2,6-dien-1-ol IUPAC Geraniol KEGG_COMPOUND (2E)-3,7-dimethyl-2,6-octadien-1-ol NIST_Chemistry_WebBook (2E)-geraniol UniProt (E)-3,7-dimethyl-2,6-octadien-1-ol NIST_Chemistry_WebBook (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 geranyl alcohol ChemIDplus lemonol ChemIDplus t-geraniol NIST_Chemistry_WebBook 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. 0 C10H8O4 InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3 RODXRVNMMDRFIK-UHFFFAOYSA-N 192.16810 192.04226 COc1cc2ccc(=O)oc2cc1O CHEBI:15067 CHEBI:210840 CHEBI:26611 CHEBI:9057 CAS:92-61-5 KEGG:C01752 KNApSAcK:C00002499 LINCS:LSM-6694 PMID:20686865 PMID:21078410 PMID:21163341 PMID:21383663 PMID:21417386 PMID:21544717 PMID:21598418 PMID:21604276 PMID:21605187 PMID:21657075 PMID:21751840 Reaxys:156296 7-hydroxy-6-methoxy-2H-chromen-2-one Scopoletin scopoletin chebi_ontology 6-Methoxy-7-hydroxycoumarin 6-Methylesculetin 6-O-Methylesculetin 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one 7-hydroxy-6-methoxycoumarin CHEBI:17488 scopoletin scopoletin CAS:92-61-5 ChemIDplus CAS:92-61-5 KEGG COMPOUND PMID:20686865 Europe PMC PMID:21078410 Europe PMC PMID:21163341 Europe PMC PMID:21383663 Europe PMC PMID:21417386 Europe PMC PMID:21544717 Europe PMC PMID:21598418 Europe PMC PMID:21604276 Europe PMC PMID:21605187 Europe PMC PMID:21657075 Europe PMC PMID:21751840 Europe PMC Reaxys:156296 Reaxys 7-hydroxy-6-methoxy-2H-chromen-2-one IUPAC Scopoletin KEGG_COMPOUND scopoletin UniProt 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-methoxycoumarin ChEBI 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. 0 C16H16O6 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 ZHDMPVIDHWJGTN-CZUORRHYSA-N 304.298 304.09469 [H][C@@]1(OC2=CC(O)=CC(O)=C2C[C@H]1O)C1=CC(O)=C(OC)C=C1 CAS:97914-20-0 Chemspider:30776736 HMDB:HMDB0029179 PMID:12654472 PMID:17996190 PMID:18231630 PMID:22397837 PMID:24573487 PMID:26264887 PMID: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)-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 CAS:97914-20-0 ChemIDplus PMID:12654472 Europe PMC PMID:17996190 Europe PMC PMID:18231630 Europe PMC PMID:22397837 Europe PMC PMID:24573487 Europe PMC PMID:26264887 Europe PMC PMID:9929521 Europe PMC (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)-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 HOCH2[CH(OH)]nCH2OH (formally derivable from an aldose by reduction of the carbonyl group). 0 (CH2O)nC2H6O2 CHEBI:13754 CHEBI:22298 CHEBI:2556 KEGG:C00717 Wikipedia:Glycerin Alditol alditol chebi_ontology Glycitol Sugar alcohol alditols CHEBI:17522 alditol alditol Alditol KEGG_COMPOUND alditol UniProt Glycitol KEGG_COMPOUND Sugar alcohol KEGG_COMPOUND alditols ChEBI 0 C19H30O5 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 RPWFJAMTCNSJKK-UHFFFAOYSA-N 338.444 338.20932 O(CCCCCCCCCCCC)C(=O)C1=CC(O)=C(O)C(O)=C1 CAS:1166-52-5 Chemspider:13777 HMDB:HMDB0038720 dodecyl 3,4,5-trihydroxybenzoate chebi_ontology CHEBI:175304 Dodecyl gallate Dodecyl gallate CAS:1166-52-5 ChemIDplus dodecyl 3,4,5-trihydroxybenzoate SUBMITTER The six-membered ring form of L-arabinose. 0 C5H10O5 InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5?/m0/s1 SRBFZHDQGSBBOR-HWQSCIPKSA-N 150.12990 150.05282 O[C@H]1COC(O)[C@H](O)[C@H]1O CHEBI:21232 CHEBI:6181 Beilstein:1680037 CAS:87-72-9 GlyGen:G88980IR GlyTouCan:G88980IR Gmelin:82843 KEGG:C00259 PMID:1177062 PMID:17336832 PMID:19913595 PMID:28785254 Reaxys:1680037 L-Arabinopyranose L-arabinopyranose chebi_ontology L-Arabinose L-arabinose WURCS=2.0/1,1,0/[a211h-1x_1-5]/1/ CHEBI:17535 L-arabinopyranose L-arabinopyranose Beilstein:1680037 Beilstein CAS:87-72-9 ChemIDplus Gmelin:82843 Gmelin PMID:1177062 Europe PMC PMID:17336832 Europe PMC PMID:19913595 Europe PMC PMID:28785254 Europe PMC Reaxys:1680037 Reaxys L-Arabinopyranose KEGG_COMPOUND L-arabinopyranose IUPAC L-Arabinose KEGG_COMPOUND L-arabinose UniProt WURCS=2.0/1,1,0/[a211h-1x_1-5]/1/ GlyTouCan A linear copolymer macromolecule composed of homopolymeric blocks of 1->4-linked beta-D-mannuronic acid and alpha-L-guluronic acid residues, covalently linked together in different sequences or blocks. 0 (C12H16O13)n (C6H8O6)n.H2O CHEBI:11097 CHEBI:18823 CHEBI:22308 CHEBI:271 Beilstein:8192143 CAS:9005-32-7 KEGG:C01768 KEGG:D02324 KEGG:G10593 PMID:25449544 Wikipedia:Alginic_acid Alginic acid chebi_ontology (Alginate)n (Alginate)n+1 Alginate Norgine alginic acid CHEBI:17548 alginic acid alginic acid Beilstein:8192143 Beilstein CAS:9005-32-7 ChemIDplus CAS:9005-32-7 KEGG COMPOUND CAS:9005-32-7 KEGG DRUG PMID:25449544 Europe PMC Alginic acid KEGG_COMPOUND (Alginate)n KEGG_COMPOUND (Alginate)n+1 KEGG_COMPOUND Alginate KEGG_COMPOUND Norgine ChemIDplus alginic acid ChemIDplus A member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by hydroxy groups at positions 3 and 9 and a prenyl group at position 10. 0 C20H20O4 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 OFWYIUYVHYPQNX-JXFKEZNVSA-N 324.37040 324.13616 [H][C@@]12COc3cc(O)ccc3[C@]1([H])Oc1c(CC=C(C)C)c(O)ccc21 CHEBI:14774 CHEBI:25948 CHEBI:8044 Beilstein:4820124 CAS:13401-40-6 CAS:37831-70-2 HMDB:HMDB0033669 KEGG:C05230 KEGG:C10514 KNApSAcK:C00002558 KNApSAcK:C00002559 LIPID_MAPS_instance:LMPK12070011 PMID: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 Phaseollidin phaseollidin chebi_ontology (-)-Phaseollidin CHEBI:17556 phaseollidin Beilstein:4820124 Beilstein CAS:13401-40-6 KEGG COMPOUND CAS:37831-70-2 ChemIDplus CAS:37831-70-2 KEGG COMPOUND LIPID_MAPS_instance:LMPK12070011 LIPID MAPS PMID:8277323 Europe PMC 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 phaseollidin UniProt (-)-Phaseollidin KEGG_COMPOUND A quercetin O-glycoside that is quercetin substituted by a alpha-L-rhamnosyl moiety at position 3 via a glycosidic linkage. 0 C21H20O11 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 OXGUCUVFOIWWQJ-HQBVPOQASA-N 448.37690 448.10056 C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O CHEBI:132834 CHEBI:14996 CHEBI:26485 CHEBI:8705 CAS:522-12-3 HMDB:HMDB0033751 KEGG:C01750 KNApSAcK:C00005374 LIPID_MAPS_instance:LMPK12112171 MetaCyc:QUERCITRIN PMID:10963295 PMID:11714358 PMID:11816040 PMID:12008093 PMID:15388977 PMID:15725651 PMID:16806328 PMID:17366733 PMID:19928818 PMID:21834636 PMID:22327179 PMID:22379948 PMID:23138875 PMID:23291772 Reaxys:68135 Wikipedia:Quercitrin 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside Quercitrin chebi_ontology 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 Quercitronic acid Quercitroside luteolin 6-deoxy-alpha-L-mannopyranoside quercetin 3-O-alpha-L-rhamnopyranoside quercetin-3-L-rhamnoside CHEBI:17558 quercitrin CAS:522-12-3 ChemIDplus CAS:522-12-3 KEGG COMPOUND LIPID_MAPS_instance:LMPK12112171 LIPID MAPS PMID:10963295 Europe PMC PMID:11714358 Europe PMC PMID:11816040 Europe PMC PMID:12008093 Europe PMC PMID:15388977 Europe PMC PMID:15725651 Europe PMC PMID:16806328 Europe PMC PMID:17366733 Europe PMC PMID:19928818 Europe PMC PMID:21834636 Europe PMC PMID:22327179 Europe PMC PMID:22379948 Europe PMC PMID:23138875 Europe PMC PMID:23291772 Europe PMC Reaxys:68135 Reaxys 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside IUPAC Quercitrin KEGG_COMPOUND 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 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. 0 C16H12O5 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 WUADCCWRTIWANL-UHFFFAOYSA-N 284.26348 284.06847 COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O CHEBI:13903 CHEBI:22876 CHEBI:3105 Beilstein:278107 CAS:491-80-5 HMDB:HMDB0002338 KEGG:C00814 KNApSAcK:C00002510 LIPID_MAPS_instance:LMPK12050229 MetaCyc:BIOCHANIN-A PDBeChem:QSO PMID:11348577 PMID:11931850 PMID:15277096 PMID:18060767 PMID:20590565 PMID:23406166 PMID:23649249 PMID:23948065 PMID:24129051 PMID:24201306 PMID:28166217 PMID:8947298 Reaxys:278107 Wikipedia:Biochanin_A 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one Biochanin A chebi_ontology 4'-methylgenistein 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one 5,7-dihydroxy-3-p-methoxyphenyl-4H-chromen-4-one 5,7-dihydroxy-4'-methoxyisoflavone olmelin pratensol CHEBI:17574 biochanin A Beilstein:278107 Beilstein CAS:491-80-5 ChemIDplus CAS:491-80-5 KEGG COMPOUND LIPID_MAPS_instance:LMPK12050229 LIPID MAPS PMID:11348577 Europe PMC PMID:11931850 Europe PMC PMID:15277096 Europe PMC PMID:18060767 Europe PMC PMID:20590565 Europe PMC PMID:23406166 Europe PMC PMID:23649249 Europe PMC PMID:23948065 Europe PMC PMID:24129051 Europe PMC PMID:24201306 Europe PMC PMID:28166217 Europe PMC PMID:8947298 Europe PMC Reaxys:278107 Reaxys 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one IUPAC Biochanin A KEGG_COMPOUND 4'-methylgenistein ChemIDplus 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one ChemIDplus 5,7-dihydroxy-3-p-methoxyphenyl-4H-chromen-4-one ChemIDplus 5,7-dihydroxy-4'-methoxyisoflavone ChemIDplus olmelin ChEBI pratensol LIPID_MAPS A cyclic carotene obtained by dimerisation of all-trans-retinol. A strongly-coloured red-orange pigment abundant in plants and fruit and the most active and important provitamin A carotenoid. 0 C40H56 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+ OENHQHLEOONYIE-JLTXGRSLSA-N 536.87264 536.43820 CC(\C=C\C=C(C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C CHEBI:10355 CHEBI:12392 CHEBI:22834 CHEBI:40987 Beilstein:1917416 CAS:7235-40-7 COMe:MOL000093 Drug_Central:345 HMDB:HMDB0000561 KEGG:C02094 KEGG:D03101 KNApSAcK:C00000919 LIPID_MAPS_instance:LMPR01070000 LIPID_MAPS_instance:LMPR01070001 MetaCyc:CPD1F-129 PDBeChem:BCR PMID:11171227 PMID:11182771 PMID:11332447 PMID:11359610 PMID:11382814 PMID:11567548 PMID:11677037 PMID:11714348 PMID:11962062 PMID:12081834 PMID:12891827 PMID:14658721 PMID:14764912 PMID:14976384 PMID:14997360 PMID:15113067 PMID:15333155 PMID:15695449 PMID:15789045 PMID:15909543 PMID:15949680 PMID:15949683 PMID:16036331 PMID:16087476 PMID:16338959 PMID:16563447 PMID:17004738 PMID:17625873 PMID:17708644 PMID:17851775 PMID:18429004 PMID:18766464 PMID:18767554 PMID:18794175 PMID:19480350 PMID:19574250 PMID:19669835 PMID:19703237 PMID:19852884 PMID:19888275 PMID:19896667 PMID:19937581 PMID:20074992 PMID:20515074 PMID:22079732 PMID:22309480 PMID:22428124 PMID:22489215 PMID:22534340 PMID:22575730 Reaxys:1917416 Wikipedia:Beta_Carotene BETA-CAROTENE beta,beta-carotene 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) all-trans-beta-carotene beta-Karotin CHEBI:17579 beta-carotene Beilstein:1917416 Beilstein CAS:7235-40-7 ChemIDplus CAS:7235-40-7 KEGG COMPOUND CAS:7235-40-7 NIST Chemistry WebBook Drug_Central:345 DrugCentral LIPID_MAPS_instance:LMPR01070000 LIPID MAPS LIPID_MAPS_instance:LMPR01070001 LIPID MAPS PMID:11171227 Europe PMC PMID:11182771 Europe PMC PMID:11332447 Europe PMC PMID:11359610 Europe PMC PMID:11382814 Europe PMC PMID:11567548 Europe PMC PMID:11677037 Europe PMC PMID:11714348 Europe PMC PMID:11962062 Europe PMC PMID:12081834 Europe PMC PMID:12891827 Europe PMC PMID:14658721 Europe PMC PMID:14764912 Europe PMC PMID:14976384 Europe PMC PMID:14997360 Europe PMC PMID:15113067 Europe PMC PMID:15333155 Europe PMC PMID:15695449 Europe PMC PMID:15789045 Europe PMC PMID:15909543 Europe PMC PMID:15949680 Europe PMC PMID:15949683 Europe PMC PMID:16036331 Europe PMC PMID:16087476 Europe PMC PMID:16338959 Europe PMC PMID:16563447 Europe PMC PMID:17004738 Europe PMC PMID:17625873 Europe PMC PMID:17708644 Europe PMC PMID:17851775 Europe PMC PMID:18429004 Europe PMC PMID:18766464 Europe PMC PMID:18767554 Europe PMC PMID:18794175 Europe PMC PMID:19480350 Europe PMC PMID:19574250 Europe PMC PMID:19669835 Europe PMC PMID:19703237 Europe PMC PMID:19852884 Europe PMC PMID:19888275 Europe PMC PMID:19896667 Europe PMC PMID:19937581 Europe PMC PMID:20074992 Europe PMC PMID:20515074 Europe PMC PMID:22079732 Europe PMC PMID:22309480 Europe PMC PMID:22428124 Europe PMC PMID:22489215 Europe PMC PMID:22534340 Europe PMC PMID:22575730 Europe PMC Reaxys:1917416 Reaxys BETA-CAROTENE PDBeChem beta,beta-carotene IUPAC beta-Carotene KEGG_COMPOUND 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 all-trans-beta-carotene NIST_Chemistry_WebBook all-trans-beta-carotene UniProt beta-Karotin ChEBI A benzenediol comprising benzene core carrying two hydroxy substituents para to each other. 0 C6H6O2 InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H QIGBRXMKCJKVMJ-UHFFFAOYSA-N 110.11064 110.03678 Oc1ccc(O)cc1 CHEBI:14416 CHEBI:24645 CHEBI:5793 Beilstein:605970 CAS:123-31-9 Drug_Central:3282 Gmelin:2742 HMDB:HMDB0002434 KEGG:C00530 KEGG:C15603 KEGG:D00073 KNApSAcK:C00002656 MetaCyc:HYDROQUINONE PMID:11170505 PMID:12213471 PMID:1395635 PMID:15618234 PMID:15894107 PMID:1899343 PMID:19148301 PMID:24407054 PMID:24858384 PMID:25586344 PPDB:1503 Reaxys:605970 UM-BBD_compID:c0091 Wikipedia:Hydroquinone Hydroquinone benzene-1,4-diol hydroquinone chebi_ontology 1,4-Benzenediol 1,4-Dihydroxybenzene 4-Hydroxyphenol Benzene-1,4-diol Eldoquin Quinol p-Benzenediol p-Hydroquinone p-hydroxyphenol CHEBI:17594 hydroquinone hydroquinone Beilstein:605970 Beilstein CAS:123-31-9 ChemIDplus CAS:123-31-9 KEGG COMPOUND CAS:123-31-9 NIST Chemistry WebBook Drug_Central:3282 DrugCentral Gmelin:2742 Gmelin PMID:11170505 Europe PMC PMID:12213471 Europe PMC PMID:1395635 Europe PMC PMID:15618234 Europe PMC PMID:15894107 Europe PMC PMID:1899343 Europe PMC PMID:19148301 Europe PMC PMID:24407054 Europe PMC PMID:24858384 Europe PMC PMID:25586344 Europe PMC Reaxys:605970 Reaxys UM-BBD_compID:c0091 UM-BBD Hydroquinone KEGG_COMPOUND benzene-1,4-diol IUPAC hydroquinone UniProt 1,4-Benzenediol KEGG_COMPOUND 1,4-Dihydroxybenzene KEGG_COMPOUND 4-Hydroxyphenol KEGG_COMPOUND Benzene-1,4-diol KEGG_COMPOUND Eldoquin ChemIDplus Quinol KEGG_COMPOUND p-Benzenediol KEGG_COMPOUND p-Hydroquinone KEGG_COMPOUND p-hydroxyphenol NIST_Chemistry_WebBook A hydroxybenzaldehyde that is benzaldehyde substituted with a hydroxy group at position C-4. 0 C7H6O2 InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H RGHHSNMVTDWUBI-UHFFFAOYSA-N 122.12134 122.03678 [H]C(=O)c1ccc(O)cc1 CHEBI:12002 CHEBI:1857 CHEBI:20396 CHEBI:43009 Beilstein:471352 CAS:123-08-0 DrugBank:DB03560 Gmelin:82654 HMDB:HMDB0011718 KEGG:C00633 KNApSAcK:C00002657 MetaCyc:4-HYDROXYBENZALDEHYDE PDBeChem:HBA PMID:21542597 PMID:22770225 PMID:3593236 Reaxys:471352 UM-BBD_compID:c0285 Wikipedia:4-Hydroxybenzaldehyde 4-Hydroxybenzaldehyde 4-hydroxybenzaldehyde chebi_ontology 4-formylphenol P-HYDROXYBENZALDEHYDE p-Hydroxybenzaldehyde p-formylphenol CHEBI:17597 4-hydroxybenzaldehyde 4-hydroxybenzaldehyde Beilstein:471352 Beilstein CAS:123-08-0 ChemIDplus CAS:123-08-0 KEGG COMPOUND CAS:123-08-0 NIST Chemistry WebBook Gmelin:82654 Gmelin PMID:21542597 Europe PMC PMID:22770225 Europe PMC PMID:3593236 Europe PMC Reaxys:471352 Reaxys UM-BBD_compID:c0285 UM-BBD 4-Hydroxybenzaldehyde KEGG_COMPOUND 4-hydroxybenzaldehyde IUPAC 4-hydroxybenzaldehyde UniProt 4-formylphenol ChemIDplus P-HYDROXYBENZALDEHYDE PDBeChem p-Hydroxybenzaldehyde KEGG_COMPOUND p-formylphenol NIST_Chemistry_WebBook A ferulic acid consisting of trans-cinnamic acid bearing methoxy and hydroxy substituents at positions 3 and 4 respectively on the phenyl ring. 0 C10H10O4 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+ KSEBMYQBYZTDHS-HWKANZROSA-N 194.18400 194.05791 COc1cc(\C=C\C(O)=O)ccc1O CHEBI:14260 CHEBI:24030 CHEBI:42445 CHEBI:5046 CAS:1135-24-6 CAS:537-98-4 HMDB:HMDB0000954 KEGG:C01494 KNApSAcK:C00002743 MetaCyc:FERULIC-ACID PDBeChem:FER PMID:11041377 PMID:11982438 PMID:12529986 PMID:15162367 PMID:15309442 PMID:16011737 PMID:16185284 PMID:18582080 PMID:18651237 PMID:18707110 PMID:18795822 PMID:19594750 PMID:8821508 Reaxys:1570363 Wikipedia:Ferulic_Acid (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid Ferulic acid chebi_ontology (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 trans-4-Hydroxy-3-methoxycinnamic acid trans-Ferulic acid CHEBI:17620 ferulic acid ferulic acid CAS:1135-24-6 ChemIDplus CAS:1135-24-6 KEGG COMPOUND CAS:537-98-4 ChemIDplus CAS:537-98-4 KEGG COMPOUND CAS:537-98-4 NIST Chemistry WebBook PMID:11041377 Europe PMC PMID:11982438 Europe PMC PMID:12529986 Europe PMC PMID:15162367 Europe PMC PMID:15309442 Europe PMC PMID:16011737 Europe PMC PMID:16185284 Europe PMC PMID:18582080 Europe PMC PMID:18651237 Europe PMC PMID:18707110 Europe PMC PMID:18795822 Europe PMC PMID:19594750 Europe PMC PMID:8821508 Europe PMC Reaxys:1570363 Reaxys (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid IUPAC Ferulic acid KEGG_COMPOUND (E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid NIST_Chemistry_WebBook (E)-4'-hydroxy-3'-methoxycinnamic acid NIST_Chemistry_WebBook (E)-4-Hydroxy-3-methoxycinnamic acid HMDB (E)-Ferulic acid ChemIDplus 3-(4-Hydroxy-3-methoxyphenyl)propenoic acid NIST_Chemistry_WebBook 3-methoxy-4-hydroxy-trans-cinnamic acid ChEBI 4-Hydroxy-3-methoxycinnamic acid KEGG_COMPOUND 4-hydroxy-3-methoxycinnamic acid ChEBI 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. 0 C16H12O5 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 XKHHKXCBFHUOHM-UHFFFAOYSA-N 284.26350 284.06847 COc1ccc(c(O)c1)-c1coc2cc(O)ccc2c1=O CHEBI:11401 CHEBI:19268 CHEBI:843 AGR:IND93034681 CAS:1890-99-9 HMDB:HMDB0031720 KEGG:C02920 KNApSAcK:C00000257 LIPID_MAPS_instance:LMPK12050081 MetaCyc:2-HYDROXYFORMONONETIN PMID:1912490 PMID:1915347 PMID:2306102 PMID:9525107 PMID:9790908 Reaxys:1292487 2'-Hydroxyformononetin 7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-chromen-4-one chebi_ontology 2'-Hydroformononetin Xenognosin B CHEBI:17678 2'-hydroxyformononetin AGR:IND93034681 Europe PMC CAS:1890-99-9 KEGG COMPOUND LIPID_MAPS_instance:LMPK12050081 LIPID MAPS PMID:1912490 Europe PMC PMID:1915347 Europe PMC PMID:2306102 Europe PMC PMID:9525107 Europe PMC PMID:9790908 Europe PMC Reaxys:1292487 Reaxys 2'-Hydroxyformononetin KEGG_COMPOUND 7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-chromen-4-one IUPAC 2'-Hydroformononetin KEGG_COMPOUND Xenognosin B LIPID_MAPS Any member of a group of vitamers that belong to the chemical structural class called butenolides that exhibit biological activity against vitamin C deficiency in animals. The vitamers include L-ascorbic acid and its salt, ionized and oxidized forms. CHEBI:21241 PMCID:PMC8088531 PMID:21885436 PMID:33916257 PMID:34064549 Wikipedia:Vitamin_C Vitamin C chebi_ontology vitamin C vitamer vitamin C vitamers vitamina C vitamine C vitaminum C CHEBI:176783 vitamin C vitamin C PMCID:PMC8088531 Europe PMC PMID:21885436 Europe PMC PMID:33916257 Europe PMC PMID:34064549 Europe PMC 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 B2 deficiency. Symptoms associated with vitamin B2 deficiency include glossitis, seborrhea, angular stomaitis, cheilosis and photophobia. The vitamers include riboflavin and its phosphate derivatives (and includes their salt, ionised and hydrate forms). vitamin B2 chebi_ontology vitamin B-2 vitamins B2 vitamins B2 vitamer vitamins B2 vitamers CHEBI:176838 vitamin B2 vitamin B2 vitamin B2 ChEBI vitamin B-2 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 B3 deficiency. Vitamin B3 deficiency causes a condition known as pellagra whose symptoms include depression, dermatitis and diarrhea. The vitamers include nicotinic acid and nicotinamide (and their ionized and salt forms). vitamin B3 chebi_ontology vitamin B-3 vitamin B3 vitamer vitamin B3 vitamers vitamins B3 CHEBI:176839 vitamin B3 vitamin B3 vitamin B3 ChEBI vitamin B-3 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 B5 deficiency. Deficiency of vitamin B5 is rare due to its widespread distribution in whole grain cereals, legumes and meat. Symptoms associated with vitamin B5 deficiency are difficult to asses since they are subtle and resemble those of other B vitamin deficiencies. The vitamers include (R)-pantothenic acid and its ionized and salt forms. vitamin B5 chebi_ontology vitamin B-5 vitamin B5 vitamer vitamin B5 vitamers vitamins B5 CHEBI:176840 vitamin B5 vitamin B5 vitamin B5 ChEBI vitamin B-5 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 B7 deficiency. Vitamin B7 deficiency is very rare in individuals who take a normal balanced diet. Foods rich in biotin are egg yolk, liver, cereals, vegetables (spinach, mushrooms) and rice. Symptoms associated with vitamin B7 deficiency include thinning hair, scaly skin rashes around eyes, nose and mouth, and brittle nails. The vitamers include biotin and its ionized and salt forms. vitamin B7 chebi_ontology vitamin B-7 vitamin B7 vitamer vitamin B7 vitamers vitamins B7 CHEBI:176841 vitamin B7 vitamin B7 vitamin B7 ChEBI vitamin B-7 ChEBI vitamin B7 vitamer ChEBI vitamin B7 vitamers ChEBI vitamins B7 ChEBI Any B-vitamin that exhibits biological activity against vitamin B9 deficiency. Vitamin B9 refers to the many forms of folic acid and its derivatives, including tetrahydrofolic acid (the active form), methyltetrahydrofolate (the primary form found in blood), methenyltetrahydrofolate, folinic acid amongst others. They are present in abundance in green leafy vegetables, citrus fruits, and animal products. Lack of vitamin B9 leads to anemia, a condition in which the body cannot produce sufficient number of red blood cells. Symptoms of vitamin B9 deficiency include fatigue, muscle weakness, and pale skin. vitamin B9 chebi_ontology folate vitamer folate vitamers vitamin B-9 vitamin B9 vitamer vitamin B9 vitamers vitamins B9 CHEBI:176842 vitamin B9 vitamin B9 vitamin B9 ChEBI folate vitamer ChEBI folate vitamers ChEBI vitamin B-9 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 B12 deficiency. Vitamin B12 deficiency is associated with low red blood cell count and anemia. The vitamers are found in foods such as cereals, meat, fish, and poultry. The vitamers include adenosylcobalamin, hydroxocobalamin, cyanocobalamin, aquacobalamin, nitritocobalamin and methylcobabalamin (also includes their ionized, salt and phosphate derivatives). vitamin B12 chebi_ontology vitamin B-12 vitamin B12 vitamer vitamin B12 vitamers vitamins B12 CHEBI:176843 vitamin B12 vitamin B12 vitamin B12 ChEBI vitamin B-12 ChEBI vitamin B12 vitamer ChEBI vitamin B12 vitamers ChEBI vitamins B12 ChEBI A glycosylglucose disaccharide, found most notably in milk, that consists of D-galactose and D-glucose fragments bonded through a beta-1->4 glycosidic linkage. The glucose fragment can be in either the alpha- or beta-pyranose form, whereas the galactose fragment can only have the beta-pyranose form. 0 C12H22O11 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 GUBGYTABKSRVRQ-QKKXKWKRSA-N 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 CHEBI:10296 CHEBI:10380 CHEBI:14497 CHEBI:22460 CHEBI:22760 CHEBI:25005 CHEBI:27755 CHEBI:613009 Beilstein:1292745 CAS:63-42-3 GlyGen:G74621DY GlyTouCan:G74621DY Gmelin:882872 KEGG:C00243 KEGG:D00046 KEGG:G10504 KNApSAcK:C00001136 PMID:1292745 PMID:17329833 PMID:18300214 PMID:19053747 PMID:19846069 PMID:19913595 PMID:20094999 PMID:20503067 PMID:20699559 PMID:20873837 PMID:20961532 PMID:21403918 PMID:2432147 PMID:2456994 PMID:28690131 PMID:28807538 PMID:6194884 PMID:7574700 Reaxys:1292745 beta-D-galactopyranosyl-(1->4)-D-glucopyranose lactose 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 WURCS=2.0/2,2,1/[a2122h-1x_1-5][a2112h-1b_1-5]/1-2/a4-b1 beta-D-Gal-(1->4)-D-Glc beta-D-Galp-(1->4)-D-Glcp beta-Gal1,4-Glc lactobiose milk sugar CHEBI:17716 lactose lactose Beilstein:1292745 Beilstein CAS:63-42-3 ChemIDplus CAS:63-42-3 KEGG COMPOUND CAS:63-42-3 NIST Chemistry WebBook Gmelin:882872 Gmelin PMID:1292745 Europe PMC PMID:17329833 Europe PMC PMID:18300214 Europe PMC PMID:19053747 ChEMBL PMID:19846069 Europe PMC PMID:19913595 Europe PMC PMID:20094999 Europe PMC PMID:20503067 Europe PMC PMID:20699559 Europe PMC PMID:20873837 Europe PMC PMID:20961532 Europe PMC PMID:21403918 Europe PMC PMID:2432147 Europe PMC PMID:2456994 Europe PMC PMID:28690131 Europe PMC PMID:28807538 Europe PMC PMID:6194884 Europe PMC PMID:7574700 Europe PMC Reaxys:1292745 Reaxys beta-D-galactopyranosyl-(1->4)-D-glucopyranose IUPAC lactose UniProt (+)-lactose NIST_Chemistry_WebBook (Gal)1 (Glc)1 KEGG_GLYCAN 1-beta-D-Galactopyranosyl-4-D-glucopyranose KEGG_COMPOUND 4-(beta-D-galactosido)-D-glucose NIST_Chemistry_WebBook 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 WURCS=2.0/2,2,1/[a2122h-1x_1-5][a2112h-1b_1-5]/1-2/a4-b1 GlyTouCan beta-D-Gal-(1->4)-D-Glc KEGG_COMPOUND beta-D-Galp-(1->4)-D-Glcp IUPAC beta-Gal1,4-Glc ChEBI lactobiose NIST_Chemistry_WebBook milk sugar NIST_Chemistry_WebBook The amino acid betaine derived from glycine. 0 C5H11NO2 InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3 KWIUHFFTVRNATP-UHFFFAOYSA-N 117.14638 117.07898 C[N+](C)(C)CC([O-])=O CHEBI:13895 CHEBI:15264 CHEBI:22858 CHEBI:24370 CHEBI:27128 CHEBI:3073 Beilstein:3537113 CAS:107-43-7 Drug_Central:347 Gmelin:26434 HMDB:HMDB0000043 KEGG:C00719 KEGG:D07523 KNApSAcK:C00007291 MetaCyc:BETAINE PDBeChem:BET PMID:16197300 PMID:18326594 PMID:20346934 PMID:20446114 PMID:20642826 PMID:22770225 Reaxys:3537113 Wikipedia:Trimethylglycine YMDB:YMDB01516 (trimethylammonio)acetate Glycine betaine glycine betaine chebi_ontology (trimethylammoniumyl)acetate 1-carboxy-N,N,N-trimethylmethanaminium inner salt 2-N,N,N-trimethylammonio acetate Bet Betaine N,N,N-Trimethylglycine N,N,N-trimethylammonioacetate Trimethylaminoacetate Trimethylammonioacetate abromine acidol trimethylglycine trimethylglycocoll CHEBI:17750 glycine betaine glycine betaine Beilstein:3537113 Beilstein CAS:107-43-7 ChemIDplus CAS:107-43-7 KEGG COMPOUND CAS:107-43-7 NIST Chemistry WebBook Drug_Central:347 DrugCentral Gmelin:26434 Gmelin PMID:16197300 Europe PMC PMID:18326594 Europe PMC PMID:20346934 Europe PMC PMID:20446114 Europe PMC PMID:20642826 Europe PMC PMID:22770225 Europe PMC Reaxys:3537113 Reaxys (trimethylammonio)acetate IUPAC Glycine betaine KEGG_COMPOUND glycine betaine UniProt (trimethylammoniumyl)acetate IUPAC 1-carboxy-N,N,N-trimethylmethanaminium inner salt NIST_Chemistry_WebBook 2-N,N,N-trimethylammonio acetate ChEBI Bet ChEBI Betaine KEGG_COMPOUND N,N,N-Trimethylglycine KEGG_COMPOUND N,N,N-trimethylammonioacetate IUPAC Trimethylaminoacetate KEGG_COMPOUND Trimethylammonioacetate KEGG_COMPOUND abromine ChemIDplus acidol ChEBI trimethylglycine ChEBI trimethylglycocoll ChemIDplus A triol with a structure of propane substituted at positions 1, 2 and 3 by hydroxy groups. 0 C3H8O3 InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2 PEDCQBHIVMGVHV-UHFFFAOYSA-N 92.09382 92.04734 OCC(O)CO CHEBI:131422 CHEBI:14334 CHEBI:24351 CHEBI:42998 CHEBI:5448 Beilstein:635685 CAS:56-81-5 Chemspider:733 DrugBank:DB04077 Drug_Central:1316 ECMDB:ECMDB00131 FooDB:FDB000756 Gmelin:26279 HMDB:HMDB0000131 KEGG:C00116 KEGG:D00028 KNApSAcK:C00001163 LINCS:LSM-37180 MetaCyc:GLYCEROL PDB:2AJS PDB:2D03 PDBeChem:GOL PMID:11302662 PMID:11958517 PMID:11994365 PMID:12672239 PMID:12687625 PMID:12689633 PMID:12713573 PMID:14559393 PMID:14563847 PMID:15026783 PMID:15342117 PMID:15786693 PMID:15983192 PMID:16244855 PMID:16258193 PMID:16319039 PMID:16349488 PMID:16475911 PMID:16651733 PMID:16664750 PMID:16901854 PMID:17336832 PMID:17439666 PMID:17979222 PMID:19184438 PMID:19231894 PMID:19460032 PMID:19548674 PMID:19795216 PMID:19956799 PMID:22705534 PMID:23562176 PMID:23747440 PMID:24643482 PMID:24835191 PMID:25108762 PMID:558160 PMID:6299616 PMID:7031247 PMID:7392035 PPDB:1317 Reaxys:635685 UM-BBD_compID:c0066 Wikipedia:Glycerol YMDB:YMDB00283 GLYCEROL Glycerol glycerol propane-1,2,3-triol chebi_ontology 1,2,3-Propanetriol 1,2,3-Trihydroxypropane Glycerin Glyceritol Glyzerin Gro Oelsuess Propanetriol Trihydroxypropane glycerine glycerol glycerolum glycyl alcohol CHEBI:17754 glycerol glycerol Beilstein:635685 Beilstein CAS:56-81-5 ChemIDplus CAS:56-81-5 KEGG COMPOUND CAS:56-81-5 NIST Chemistry WebBook Drug_Central:1316 DrugCentral Gmelin:26279 Gmelin PMID:11302662 Europe PMC PMID:11958517 Europe PMC PMID:11994365 Europe PMC PMID:12672239 ChEMBL PMID:12687625 Europe PMC PMID:12689633 Europe PMC PMID:12713573 Europe PMC PMID:14559393 Europe PMC PMID:14563847 Europe PMC PMID:15026783 Europe PMC PMID:15342117 Europe PMC PMID:15786693 Europe PMC PMID:15983192 Europe PMC PMID:16244855 Europe PMC PMID:16258193 Europe PMC PMID:16319039 Europe PMC PMID:16349488 Europe PMC PMID:16475911 Europe PMC PMID:16651733 Europe PMC PMID:16664750 Europe PMC PMID:16901854 Europe PMC PMID:17336832 Europe PMC PMID:17439666 Europe PMC PMID:17979222 Europe PMC PMID:19184438 Europe PMC PMID:19231894 Europe PMC PMID:19460032 Europe PMC PMID:19548674 Europe PMC PMID:19795216 Europe PMC PMID:19956799 Europe PMC PMID:22705534 Europe PMC PMID:23562176 Europe PMC PMID:23747440 Europe PMC PMID:24643482 Europe PMC PMID:24835191 Europe PMC PMID:25108762 Europe PMC PMID:558160 Europe PMC PMID:6299616 Europe PMC PMID:7031247 ChEMBL PMID:7392035 ChEMBL Reaxys:635685 Reaxys UM-BBD_compID:c0066 UM-BBD GLYCEROL PDBeChem Glycerol KEGG_COMPOUND glycerol ChEBI glycerol UniProt propane-1,2,3-triol IUPAC 1,2,3-Propanetriol KEGG_COMPOUND 1,2,3-Trihydroxypropane KEGG_COMPOUND Glycerin KEGG_COMPOUND Glyceritol HMDB Glyzerin ChEBI Gro JCBN Oelsuess ChEBI Propanetriol HMDB Trihydroxypropane HMDB glycerine ChEBI glycerol ChemIDplus glycerolum ChemIDplus glycyl alcohol NIST_Chemistry_WebBook 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. 0 C16H12O5 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 ZZAJQOPSWWVMBI-UHFFFAOYSA-N 284.26350 284.06847 COc1ccc(cc1O)-c1coc2cc(O)ccc2c1=O CHEBI:13938 CHEBI:22989 CHEBI:3334 Beilstein:1292488 CAS:20575-57-9 KEGG:C01562 KNApSAcK:C00009389 LIPID_MAPS_instance:LMPK12050056 PMID:11025148 PMID:16286304 PMID:16441066 PMID:17253088 Patent:CN102030735 Patent:KR20080079237 Patent:WO2009129260 Reaxys:1292488 Wikipedia:Calycosin 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one Calycosin 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 CHEBI:17793 calycosin Beilstein:1292488 Beilstein CAS:20575-57-9 ChemIDplus CAS:20575-57-9 KEGG COMPOUND LIPID_MAPS_instance:LMPK12050056 LIPID MAPS PMID:11025148 Europe PMC PMID:16286304 Europe PMC PMID:16441066 Europe PMC PMID:17253088 Europe PMC Reaxys:1292488 Reaxys 7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one IUPAC Calycosin KEGG_COMPOUND 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 An alpha-amino acid that is alanine substituted at position 3 by a hydroxy group. 0 C3H7NO3 InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7) MTCFGRXMJLQNBG-UHFFFAOYSA-N 105.09262 105.04259 NC(CO)C(O)=O CHEBI:15081 CHEBI:26648 CHEBI:9116 Beilstein:1721402 CAS:302-84-1 Gmelin:26429 KEGG:C00716 KNApSAcK:C00001393 Reaxys:1721402 Wikipedia:Serine Serine serine chebi_ontology 2-Amino-3-hydroxypropionic acid 2-amino-3-hydroxypropanoic acid 3-Hydroxyalanine Serin CHEBI:17822 serine serine Beilstein:1721402 Beilstein CAS:302-84-1 ChemIDplus CAS:302-84-1 KEGG COMPOUND CAS:302-84-1 NIST Chemistry WebBook Gmelin:26429 Gmelin Reaxys:1721402 Reaxys Serine KEGG_COMPOUND serine IUPAC 2-Amino-3-hydroxypropionic acid KEGG_COMPOUND 2-amino-3-hydroxypropanoic acid IUPAC 3-Hydroxyalanine KEGG_COMPOUND Serin ChEBI The (S)-enantiomer of naringenin. 0 C15H12O5 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 FTVWIRXFELQLPI-ZDUSSCGKSA-N 272.25280 272.06847 Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 CHEBI:14640 CHEBI:25484 CHEBI:25488 CHEBI:44288 CHEBI:7483 CAS:480-41-1 DrugBank:DB03467 HMDB:HMDB0002670 KEGG:C00509 KNApSAcK:C00000982 LIPID_MAPS_instance:LMPK12140001 MetaCyc:NARINGENIN-CMPD PDBeChem:NAR PMID:11093936 PMID:17664077 Reaxys:90699 Wikipedia: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)-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 CAS:480-41-1 ChemIDplus CAS:480-41-1 KEGG COMPOUND LIPID_MAPS_instance:LMPK12140001 LIPID MAPS PMID:11093936 Europe PMC PMID:17664077 Europe PMC Reaxys:90699 Reaxys (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)-Naringenin KEGG_COMPOUND (2S)-naringenin UniProt (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 PDBeChem 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. 0 C6H5O6R3 173.10030 173.00861 [*]C(=O)OCC(COC([*])=O)OC([*])=O CHEBI:15255 CHEBI:27085 CHEBI:9664 KEGG:C00422 LIPID_MAPS_class:LMGL0301 PMID:2474544 Triglyceride triglycerides chebi_ontology Triacylglycerol Triglycerid Triglyzerid a triacylglycerol triacylglycerols triglycerides CHEBI:17855 triglyceride triglyceride LIPID_MAPS_class:LMGL0301 LIPID MAPS PMID:2474544 Europe PMC Triglyceride KEGG_COMPOUND triglycerides IUPAC Triacylglycerol KEGG_COMPOUND Triglycerid ChEBI Triglyzerid ChEBI a triacylglycerol UniProt triacylglycerols LIPID_MAPS triglycerides ChEBI A mononuclear parent hydride consisting of covalently bonded hydrogen and chlorine atoms. 0 ClH HCl InChI=1S/ClH/h1H VEXZGXHMUGYJMC-UHFFFAOYSA-N 36.46064 35.97668 Cl[H] CHEBI:13364 CHEBI:24635 CHEBI:5590 CAS:7647-01-0 Drug_Central:4568 Gmelin:322 HMDB:HMDB0002306 KEGG:C01327 KEGG:D02057 MetaCyc:HCL PMID:15823700 PMID:17492841 PMID:22804993 Reaxys:1098214 Wikipedia:HCl Wikipedia:Hydrochloric_acid Hydrogen chloride chlorane chloridohydrogen hydrogen chloride chebi_ontology Chlorwasserstoff HCl Hydrochloride Hydrogenchlorid Wasserstoffchlorid [HCl] chlorure d'hydrogene cloruro de hidrogeno hydrochloric acid CHEBI:17883 hydrogen chloride hydrogen chloride CAS:7647-01-0 ChemIDplus CAS:7647-01-0 KEGG COMPOUND CAS:7647-01-0 NIST Chemistry WebBook Drug_Central:4568 DrugCentral Gmelin:322 Gmelin PMID:15823700 Europe PMC PMID:17492841 Europe PMC PMID:22804993 Europe PMC Reaxys:1098214 Reaxys Hydrogen chloride KEGG_COMPOUND chlorane IUPAC chloridohydrogen IUPAC hydrogen chloride IUPAC Chlorwasserstoff ChEBI HCl KEGG_COMPOUND Hydrochloride KEGG_COMPOUND Hydrogenchlorid ChEBI Wasserstoffchlorid ChEBI [HCl] IUPAC chlorure d'hydrogene ChEBI cloruro de hidrogeno ChEBI hydrochloric acid ChemIDplus A retinal in which all four exocyclic double bonds have E- (trans-) geometry. 0 C20H28O 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+ NCYCYZXNIZJOKI-OVSJKPMPSA-N 284.443 284.21402 [H]C(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C CHEBI:12776 CHEBI:22348 CHEBI:8814 CAS:116-31-4 Chemspider:553582 FooDB:FDB030668 HMDB:HMDB0001358 KEGG:C00376 LIPID_MAPS_instance:LMPR01090002 MetaCyc:RETINAL PDBeChem:RET PMID:12168520 PMID:15500295 PMID:15686550 PMID:15724104 PMID:16004575 PMID:16054134 PMID:16128572 PMID:17326003 PMID:21447403 PMID:21995425 PMID:22162152 PMID:22198730 PMID:22220722 PMID:22417174 PMID:22428905 PMID:22431612 PMID:22515697 PMID:22529810 PMID:22559266 PMID:22621924 PMID:22841964 PMID:22879987 PMID:26568132 PMID:28780307 PMID:31931077 PMID:32212312 PMID:32371567 PMID:32492112 PMID:33034385 PMID:33334878 Reaxys:1914183 Wikipedia:Retinal (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal all-trans-retinal chebi_ontology E-retinal all-E-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 CAS:116-31-4 ChemIDplus CAS:116-31-4 KEGG COMPOUND CAS:116-31-4 NIST Chemistry WebBook LIPID_MAPS_instance:LMPR01090002 LIPID MAPS PMID:12168520 Europe PMC PMID:15500295 Europe PMC PMID:15686550 Europe PMC PMID:15724104 Europe PMC PMID:16004575 Europe PMC PMID:16054134 Europe PMC PMID:16128572 Europe PMC PMID:17326003 Europe PMC PMID:21447403 Europe PMC PMID:21995425 Europe PMC PMID:22162152 Europe PMC PMID:22198730 Europe PMC PMID:22220722 Europe PMC PMID:22417174 Europe PMC PMID:22428905 Europe PMC PMID:22431612 Europe PMC PMID:22515697 Europe PMC PMID:22529810 Europe PMC PMID:22559266 Europe PMC PMID:22621924 Europe PMC PMID:22841964 Europe PMC PMID:22879987 Europe PMC PMID:26568132 Europe PMC PMID:28780307 Europe PMC PMID:31931077 Europe PMC PMID:32212312 Europe PMC PMID:32371567 Europe PMC PMID:32492112 Europe PMC PMID:33034385 Europe PMC PMID:33334878 Europe PMC Reaxys:1914183 Reaxys (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal IUPAC all-trans-retinal KEGG_COMPOUND all-trans-retinal UniProt E-retinal ChemIDplus all-E-retinal ChemIDplus all-trans-retinaldehyde NIST_Chemistry_WebBook all-trans-retinene KEGG_COMPOUND all-trans-vitamin A aldehyde KEGG_COMPOUND axerophthal MetaCyc 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 D3. 0 C27H44O2 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 JWUBBDSIWDLEOM-DTOXIADCSA-N 400.63706 400.33413 [H][C@@]1(CC[C@]2([H])[C@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C)[C@H](C)CCCC(C)(C)O CHEBI:13931 CHEBI:19815 CHEBI:3304 CHEBI:46387 Beilstein:4270041 CAS:19356-17-3 DrugBank:DB00146 Drug_Central:464 KEGG:C01561 LIPID_MAPS_instance:LMST03020246 PDBeChem:VDY PMID:16549446 PMID:18689406 PMID:22487892 PMID:22536761 PMID:23090338 PMID:23566108 PMID:9080330 Reaxys:4270041 Wikipedia:Calcifediol (3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol Calcidiol calcidiol chebi_ontology (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 Calcifediol Calcifediol anhydrous Rayaldee calcifediol calcifediolum CHEBI:17933 calcidiol calcidiol Beilstein:4270041 Beilstein CAS:19356-17-3 ChemIDplus CAS:19356-17-3 KEGG COMPOUND Drug_Central:464 DrugCentral LIPID_MAPS_instance:LMST03020246 LIPID MAPS PMID:16549446 Europe PMC PMID:18689406 Europe PMC PMID:22487892 Europe PMC PMID:22536761 Europe PMC PMID:23090338 Europe PMC PMID:23566108 Europe PMC PMID:9080330 Europe PMC Reaxys:4270041 Reaxys (3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol IUPAC Calcidiol KEGG_COMPOUND calcidiol UniProt (3S,5Z,7E)-9,10-secocholesta-5,7,10-triene-3,25-diol PDBeChem (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 PDBeChem Calcifediol KEGG_COMPOUND Calcifediol anhydrous KEGG_COMPOUND Rayaldee ChEBI calcifediol ChEBI calcifediol WHO_MedNet calcifediolum ChEBI A taxifolin that has (2R,3R)-configuration. 0 C15H12O7 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 CXQWRCVTCMQVQX-LSDHHAIUSA-N 304.25160 304.05830 O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)c(O)c1 CHEBI:15206 CHEBI:23764 CHEBI:42225 CHEBI:9415 Beilstein:93548 CAS:480-18-2 DrugBank:DB02224 KEGG:C01617 KNApSAcK:C00000677 LINCS:LSM-5990 PDBeChem:DQH Wikipedia:Taxifolin (+)-Taxifolin (2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one chebi_ontology (+)-Dihydroquercetin (2R,3R)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-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 Beilstein:93548 Beilstein CAS:480-18-2 ChemIDplus CAS:480-18-2 KEGG COMPOUND (+)-Taxifolin KEGG_COMPOUND (2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one IUPAC (+)-Dihydroquercetin KEGG_COMPOUND (2R,3R)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one ChemIDplus (2R,3R)-dihydroquercetin ChemIDplus (2R,3R)-dihydroquercetin UniProt (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 C-glycoside consisting of luteolin having a beta-D-glucosyl residue at the 6-position. 0 C21H20O11 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 ODBRNZZJSYPIDI-VJXVFPJBSA-N 448.37690 448.10056 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1 CHEBI:14471 CHEBI:24905 CHEBI:6034 CAS:4261-42-1 KEGG:C01821 KNApSAcK:C00001055 LIPID_MAPS_instance:LMPK12110469 PMID:21080643 PMID:22529049 PMID:22948221 PMID:22980875 PMID:23026832 PMID:23220614 Reaxys:68256 Wikipedia:Isoorientin (1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-D-glucitol Isoorientin chebi_ontology 2-(3,4-dihydroxyphenyl)-6-beta-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one Homoorientin Luteolin-6-C-beta-D-glucoside CHEBI:17965 isoorientin CAS:4261-42-1 ChemIDplus CAS:4261-42-1 KEGG COMPOUND LIPID_MAPS_instance:LMPK12110469 LIPID MAPS PMID:21080643 Europe PMC PMID:22529049 Europe PMC PMID:22948221 Europe PMC PMID:22980875 Europe PMC PMID:23026832 Europe PMC PMID:23220614 Europe PMC Reaxys:68256 Reaxys (1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-D-glucitol IUPAC Isoorientin KEGG_COMPOUND 2-(3,4-dihydroxyphenyl)-6-beta-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one ChEBI Homoorientin ChemIDplus 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. 0 C12H22O11 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 CZMRCDWAGMRECN-UGDNZRGBSA-N 342.29650 342.11621 OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O CHEBI:15128 CHEBI:26812 CHEBI:45795 CHEBI:9314 Beilstein:90825 CAS:57-50-1 DrugBank:DB02772 Drug_Central:4610 Gmelin:97695 HMDB:HMDB0000258 KEGG:C00089 KEGG:D00025 KEGG:D06533 KEGG:G00370 KNApSAcK:C00001151 MetaCyc:SUCROSE PDBeChem:SUC PMID:11021636 PMID:11093712 PMID:11111003 PMID:12065720 PMID:12706980 PMID:13508893 PMID:15291457 PMID:15660210 PMID:15792978 PMID:15845855 PMID:16228482 PMID:16304615 PMID:16313996 PMID:16525719 PMID:16660545 PMID:16663947 PMID:16665852 PMID:17233733 PMID:17439666 PMID:17597061 PMID:18625236 PMID:19199566 PMID:19726178 PMID:21703290 PMID:21972845 PMID:22085755 PMID:22311778 PMID:22404833 PMID:22751876 Reaxys:1435311 Reaxys:90825 Wikipedia:Sucrose SUCROSE Sucrose beta-D-fructofuranosyl alpha-D-glucopyranoside sucrose chebi_ontology 1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside Cane sugar Saccharose Sacharose White sugar beta-D-Fruf-(2<->1)-alpha-D-Glcp sacarosa table sugar CHEBI:17992 sucrose sucrose Beilstein:90825 Beilstein CAS:57-50-1 ChemIDplus CAS:57-50-1 KEGG COMPOUND CAS:57-50-1 NIST Chemistry WebBook Drug_Central:4610 DrugCentral Gmelin:97695 Gmelin PMID:11021636 Europe PMC PMID:11093712 Europe PMC PMID:11111003 Europe PMC PMID:12065720 Europe PMC PMID:12706980 Europe PMC PMID:13508893 Europe PMC PMID:15291457 Europe PMC PMID:15660210 Europe PMC PMID:15792978 Europe PMC PMID:15845855 Europe PMC PMID:16228482 Europe PMC PMID:16304615 Europe PMC PMID:16313996 Europe PMC PMID:16525719 Europe PMC PMID:16660545 Europe PMC PMID:16663947 Europe PMC PMID:16665852 Europe PMC PMID:17233733 Europe PMC PMID:17439666 Europe PMC PMID:17597061 Europe PMC PMID:18625236 Europe PMC PMID:19199566 Europe PMC PMID:19726178 Europe PMC PMID:21703290 Europe PMC PMID:21972845 Europe PMC PMID:22085755 Europe PMC PMID:22311778 Europe PMC PMID:22404833 Europe PMC PMID:22751876 Europe PMC Reaxys:1435311 Reaxys Reaxys:90825 Reaxys SUCROSE PDBeChem Sucrose KEGG_COMPOUND beta-D-fructofuranosyl alpha-D-glucopyranoside IUPAC sucrose UniProt 1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside KEGG_COMPOUND Cane sugar KEGG_COMPOUND Saccharose KEGG_COMPOUND Sacharose ChEBI White sugar HMDB beta-D-Fruf-(2<->1)-alpha-D-Glcp JCBN sacarosa ChEBI table sugar ChemIDplus A halide anion formed when chlorine picks up an electron to form an an anion. -1 Cl InChI=1S/ClH/h1H/p-1 VEXZGXHMUGYJMC-UHFFFAOYSA-M 35.45270 34.96940 [Cl-] CHEBI:13291 CHEBI:13970 CHEBI:3616 CHEBI:3731 CHEBI:48804 Beilstein:3587171 CAS:16887-00-6 Gmelin:14910 KEGG:C00115 KEGG:C00698 PDBeChem:CL UM-BBD_compID:c0884 Chloride chloride chloride(1-) chebi_ontology CHLORIDE ION Chloride ion Chloride(1-) Chlorine anion Cl(-) Cl- CHEBI:17996 chloride chloride Beilstein:3587171 Beilstein CAS:16887-00-6 ChemIDplus CAS:16887-00-6 KEGG COMPOUND CAS:16887-00-6 NIST Chemistry WebBook Gmelin:14910 Gmelin UM-BBD_compID:c0884 UM-BBD Chloride KEGG_COMPOUND chloride IUPAC chloride UniProt chloride(1-) IUPAC CHLORIDE ION PDBeChem Chloride ion KEGG_COMPOUND Chloride(1-) ChemIDplus Chlorine anion NIST_Chemistry_WebBook Cl(-) IUPAC Cl- KEGG_COMPOUND The D-enantiomer of galacturonic acid. It is the main component of pectin. 0 C6H10O7 194.140 194.04265 CHEBI:20976 CHEBI:20978 PMID:21683149 PMID:24502254 D-galacturonic acid chebi_ontology D-galacturonate D-galacturonic acids CHEBI:18024 D-galacturonic acid D-galacturonic acid PMID:21683149 Europe PMC PMID:24502254 Europe PMC D-galacturonic acid IUPAC D-galacturonate ChEBI D-galacturonic acids ChEBI A glyceride that is glycerol in which any two of the hydroxy groups have been acylated. In the structure shown, two of the R groups (positions not specified) are acyl groups while the remaining R group can be either H or an alkyl group. 0 C5H6O5R2 89.07000 89.02387 [*]OCC(CO[*])O[*] CHEBI:14135 CHEBI:23653 CHEBI:4481 KEGG:C00165 LIPID_MAPS_class:LMGL0201 Diglyceride diglycerides chebi_ontology Diacylglycerol a diacylglycerol di-O-acylglycerols diacylglycerols diglycerides CHEBI:18035 diglyceride diglyceride LIPID_MAPS_class:LMGL0201 LIPID MAPS Diglyceride KEGG_COMPOUND diglycerides IUPAC Diacylglycerol KEGG_COMPOUND a diacylglycerol UniProt di-O-acylglycerols ChEBI diacylglycerols LIPID_MAPS diglycerides ChEBI 'Lipids' is a loosely defined term for substances of biological origin that are soluble in nonpolar solvents. They consist of saponifiable lipids, such as glycerides (fats and oils) and phospholipids, as well as nonsaponifiable lipids, principally steroids. CHEBI:14517 CHEBI:25054 CHEBI:6486 KEGG:C01356 Lipid lipids chebi_ontology CHEBI:18059 lipid lipid Lipid KEGG_COMPOUND lipids IUPAC A member of the class of phylloquinones that consists of 1,4-naphthoquinone having methyl and phytyl groups at positions 2 and 3 respectively. The parent of the class of phylloquinones. 0 C31H46O2 InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1 MBWXNTAXLNYFJB-NKFFZRIASA-N 450.707 450.34978 CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(C)=C\CC1=C(C)C(=O)C2=C(C=CC=C2)C1=O CHEBI:11611 CHEBI:14833 CHEBI:26105 CHEBI:45148 CHEBI:8181 CAS:84-80-0 Chemspider:4447652 DrugBank:DB01022 Drug_Central:2843 HMDB:HMDB0003555 KEGG:C02059 KEGG:D00148 KNApSAcK:C00002868 LIPID_MAPS_instance:LMPR02030028 MetaCyc:2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE PDBeChem:PQN PMCID:PMC6577341 PMCID:PMC8180628 PMID:1009028 PMID:10701947 PMID:10893417 PMID:11003724 PMID:15686525 PMID:15773196 PMID:19588895 PMID:19996170 PMID:21169510 PMID:21645693 PMID:21844348 PMID:21914559 PMID:27337968 PMID:2851012 PMID:30609653 PMID:32090699 PMID:32109957 PMID:32221088 PMID:32222983 PMID:32445363 PMID:33793953 PMID:33968245 PMID:34134516 PMID:5511811 PMID:7657478 Reaxys:2568816 Wikipedia:Phytomenadione 2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-dione PHYLLOQUINONE Phylloquinone phylloquinone chebi_ontology 2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenedione 2-Methyl-3-[(2E)-3,7,11,15-tetramethyl-2-hexadecenyl]naphthoquinone 2-Methyl-3-phytyl-1,4-naphthochinon 2-methyl-3-phytyl-1,4-naphthoquinone 3-phytylmenadione Mephyton Phyllochinon Phyllochinonum Phytonadionum Phytylmenadione Vitamin K1 alpha-phylloquinone fitomenadiona fitomenadione phytomenadione phytomenadionum phytonadione trans-Phylloquinone vitamin K1 vitamin K1(20) CHEBI:18067 phylloquinone phylloquinone CAS:84-80-0 ChemIDplus CAS:84-80-0 KEGG COMPOUND CAS:84-80-0 NIST Chemistry WebBook Drug_Central:2843 DrugCentral LIPID_MAPS_instance:LMPR02030028 LIPID MAPS PMCID:PMC6577341 Europe PMC PMCID:PMC8180628 Europe PMC PMID:1009028 Europe PMC PMID:10701947 Europe PMC PMID:10893417 Europe PMC PMID:11003724 Europe PMC PMID:15686525 Europe PMC PMID:15773196 Europe PMC PMID:19588895 Europe PMC PMID:19996170 Europe PMC PMID:21169510 Europe PMC PMID:21645693 Europe PMC PMID:21844348 Europe PMC PMID:21914559 Europe PMC PMID:27337968 Europe PMC PMID:2851012 Europe PMC PMID:30609653 Europe PMC PMID:32090699 Europe PMC PMID:32109957 Europe PMC PMID:32221088 Europe PMC PMID:32222983 Europe PMC PMID:32445363 Europe PMC PMID:33793953 Europe PMC PMID:33968245 Europe PMC PMID:34134516 Europe PMC PMID:5511811 Europe PMC PMID:7657478 Europe PMC Reaxys:2568816 Reaxys 2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-dione IUPAC PHYLLOQUINONE PDBeChem Phylloquinone KEGG_COMPOUND phylloquinone UniProt 2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenedione ChemIDplus 2-Methyl-3-[(2E)-3,7,11,15-tetramethyl-2-hexadecenyl]naphthoquinone NIST_Chemistry_WebBook 2-Methyl-3-phytyl-1,4-naphthochinon ChemIDplus 2-methyl-3-phytyl-1,4-naphthoquinone KEGG_COMPOUND 3-phytylmenadione ChemIDplus Mephyton KEGG_DRUG Phyllochinon ChemIDplus Phyllochinonum ChemIDplus Phytonadionum ChemIDplus Phytylmenadione ChemIDplus Vitamin K1 KEGG_COMPOUND alpha-phylloquinone NIST_Chemistry_WebBook fitomenadiona WHO_MedNet fitomenadione ChemIDplus phytomenadione WHO_MedNet phytomenadionum WHO_MedNet phytonadione KEGG_COMPOUND trans-Phylloquinone NIST_Chemistry_WebBook vitamin K1 ChEBI vitamin K1(20) ChemIDplus A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by a methoxy group at position 4'. 0 C16H12O4 InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3 HKQYGTCOTHHOMP-UHFFFAOYSA-N 268.26410 268.07356 COc1ccc(cc1)-c1coc2cc(O)ccc2c1=O CHEBI:14279 CHEBI:18194 CHEBI:24086 CHEBI:5146 Beilstein:1288158 CAS:485-72-3 HMDB:HMDB0005808 KEGG:C00858 KNApSAcK:C00002525 LINCS:LSM-19000 LIPID_MAPS_instance:LMPK12050037 MetaCyc:FORMONONETIN PMID:16108819 PMID:24023812 Reaxys:237979 Wikipedia:Formononetin 7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one Formononetin chebi_ontology 4'-O-methyldaidzein 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone 7-Hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one 7-Hydroxy-4'-methoxyisoflavone 7-hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one biochanin B formononetol CHEBI:18088 formononetin Beilstein:1288158 Beilstein CAS:485-72-3 KEGG COMPOUND LIPID_MAPS_instance:LMPK12050037 LIPID MAPS PMID:16108819 Europe PMC PMID:24023812 Europe PMC Reaxys:237979 Reaxys 7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one IUPAC Formononetin KEGG_COMPOUND 4'-O-methyldaidzein ChEBI 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone HMDB 7-Hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one HMDB 7-Hydroxy-4'-methoxyisoflavone HMDB 7-hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one ChEBI biochanin B ChEBI formononetol ChEBI A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group. 0 C8H8O3 InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11) XQXPVVBIMDBYFF-UHFFFAOYSA-N 152.14732 152.04734 OC(=O)Cc1ccc(O)cc1 CHEBI:12014 CHEBI:1874 CHEBI:20419 CHEBI:40091 CAS:156-38-7 HMDB:HMDB0000020 KEGG:C00642 MetaCyc:4-HYDROXYPHENYLACETATE PDBeChem:4HP PMID:11339992 PMID:21476434 PMID:22296160 PMID:24636068 PMID:24831010 PMID:7126379 PMID:977696 Reaxys:1448766 UM-BBD_compID:c0271 Wikipedia:4-hydroxyphenylacetic_acid (4-hydroxyphenyl)acetic acid 4-Hydroxyphenylacetic acid chebi_ontology (p-hydroxyphenyl)acetic acid 4-Hydroxyphenylacetate 4-carboxymethylphenol 4-hydroxybenzeneacetic acid p-hydroxyphenylacetic acid CHEBI:18101 4-hydroxyphenylacetic acid 4-hydroxyphenylacetic acid CAS:156-38-7 ChemIDplus CAS:156-38-7 KEGG COMPOUND CAS:156-38-7 NIST Chemistry WebBook PMID:11339992 Europe PMC PMID:21476434 Europe PMC PMID:22296160 Europe PMC PMID:24636068 Europe PMC PMID:24831010 Europe PMC PMID:7126379 Europe PMC PMID:977696 Europe PMC Reaxys:1448766 Reaxys UM-BBD_compID:c0271 UM-BBD (4-hydroxyphenyl)acetic acid IUPAC 4-Hydroxyphenylacetic acid KEGG_COMPOUND (p-hydroxyphenyl)acetic acid ChemIDplus 4-Hydroxyphenylacetate KEGG_COMPOUND 4-carboxymethylphenol ChemIDplus 4-hydroxybenzeneacetic acid ChemIDplus p-hydroxyphenylacetic acid ChemIDplus The trans-isomer of 2-coumaric acid. 0 C9H8O3 InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+ PMOWTIHVNWZYFI-AATRIKPKSA-N 164.15802 164.04734 OC(=O)\C=C\c1ccccc1O CHEBI:1047 CHEBI:11541 CHEBI:19516 CHEBI:27048 CHEBI:39811 Beilstein:1100900 CAS:583-17-5 CAS:614-60-8 DrugBank:DB01650 Gmelin:1319861 HMDB:HMDB0002641 KEGG:C01772 PDBeChem:2HC PMID:23293469 Reaxys:1100900 Wikipedia:O-Coumaric_acid (2E)-3-(2-hydroxyphenyl)prop-2-enoic acid chebi_ontology (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID (2E)-3-(2-hydroxyphenyl)-2-propenoic acid (E)-2-hydroxycinnamic acid (E)-3-(2-hydroxy-phenyl)-acrylic acid (E)-3-(2-hydroxyphenyl)-2-propenoic acid (E)-o-hydroxycinnamic acid 2-Coumarate 2-Coumaric acid 2-Hydroxycinnamate o-Coumaric acid o-hydroxy-trans-cinnamic acid trans-2-Hydroxycinnamate trans-2-Hydroxycinnamic acid trans-o-hydroxycinnamic acid CHEBI:18125 trans-2-coumaric acid trans-2-coumaric acid Beilstein:1100900 ChemIDplus CAS:583-17-5 KEGG COMPOUND CAS:614-60-8 ChemIDplus CAS:614-60-8 KEGG COMPOUND CAS:614-60-8 NIST Chemistry WebBook Gmelin:1319861 Gmelin PMID:23293469 Europe PMC Reaxys:1100900 Reaxys (2E)-3-(2-hydroxyphenyl)prop-2-enoic acid IUPAC (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID PDBeChem (2E)-3-(2-hydroxyphenyl)-2-propenoic acid NIST_Chemistry_WebBook (E)-2-hydroxycinnamic acid NIST_Chemistry_WebBook (E)-3-(2-hydroxy-phenyl)-acrylic acid ChEBI (E)-3-(2-hydroxyphenyl)-2-propenoic acid NIST_Chemistry_WebBook (E)-o-hydroxycinnamic acid ChemIDplus 2-Coumarate KEGG_COMPOUND 2-Coumaric acid KEGG_COMPOUND 2-Hydroxycinnamate KEGG_COMPOUND o-Coumaric acid KEGG_COMPOUND o-hydroxy-trans-cinnamic acid NIST_Chemistry_WebBook trans-2-Hydroxycinnamate KEGG_COMPOUND trans-2-Hydroxycinnamic acid KEGG_COMPOUND trans-o-hydroxycinnamic acid ChemIDplus A luteolin glucosiduronic acid consisting of luteolin having a beta-D-glucosiduronic acid residue attached at the 7-position. 0 C21H18O12 InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1 VSUOKLTVXQRUSG-ZFORQUDYSA-N 462.36042 462.07983 O[C@H]1[C@@H](O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O)Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1 CHEBI:14538 CHEBI:14540 CHEBI:25090 CHEBI:6583 CAS:29741-10-4 KEGG:C03515 LIPID_MAPS_instance:LMPK12110644 MetaCyc:LUTEOLIN-7-O-BETA-D-GLUCURONIDE PMID:12088434 PMID:1620743 PMID:7766058 Reaxys:5785426 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranosiduronic acid chebi_ontology Cyanidenon-7-O-beta-D-glucuronic acid Luteolin 7-O-beta-D-glucuronopyranoside Luteolin 7-O-glucuronide Luteolin 7-glucuronide CHEBI:18128 luteolin 7-O-beta-D-glucosiduronic acid CAS:29741-10-4 ChemIDplus LIPID_MAPS_instance:LMPK12110644 LIPID MAPS PMID:12088434 Europe PMC PMID:1620743 Europe PMC PMID:7766058 Europe PMC Reaxys:5785426 Reaxys 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranosiduronic acid IUPAC Cyanidenon-7-O-beta-D-glucuronic acid ChemIDplus Luteolin 7-O-beta-D-glucuronopyranoside ChemIDplus Luteolin 7-O-glucuronide KEGG_COMPOUND Luteolin 7-glucuronide ChemIDplus A benzenediol comprising of a benzene core carrying two hydroxy substituents ortho to each other. 0 C6H6O2 InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H YCIMNLLNPGFGHC-UHFFFAOYSA-N 110.11064 110.03678 Oc1ccccc1O CHEBI:135158 CHEBI:13950 CHEBI:23054 CHEBI:3467 CHEBI:41441 Beilstein:471401 CAS:120-80-9 CAS:12385-08-9 DrugBank:DB02232 Gmelin:2936 HMDB:HMDB0000957 KEGG:C00090 KEGG:C01785 KEGG:C15571 KNApSAcK:C00002644 MetaCyc:CATECHOL PDBeChem:CAQ PMID:10651166 PMID:11470755 PMID:15951152 PMID:16610220 Reaxys:471401 UM-BBD_compID:c0097 Wikipedia:Catechol Catechol benzene-1,2-diol catechol chebi_ontology 1,2-Benzenediol 1,2-Dihydroxybenzene 2-hydroxyphenol Brenzcatechin Pyrocatechol alpha-hydroxyphenol o-Benzenediol o-hydroxyphenol pyrocatechin CHEBI:18135 catechol catechol Beilstein:471401 Beilstein CAS:120-80-9 ChemIDplus CAS:120-80-9 KEGG COMPOUND CAS:120-80-9 NIST Chemistry WebBook CAS:12385-08-9 KEGG COMPOUND Gmelin:2936 Gmelin PMID:10651166 Europe PMC PMID:11470755 Europe PMC PMID:15951152 Europe PMC PMID:16610220 Europe PMC Reaxys:471401 Reaxys UM-BBD_compID:c0097 UM-BBD Catechol KEGG_COMPOUND benzene-1,2-diol IUPAC catechol UniProt 1,2-Benzenediol KEGG_COMPOUND 1,2-Dihydroxybenzene KEGG_COMPOUND 2-hydroxyphenol ChEBI Brenzcatechin KEGG_COMPOUND Pyrocatechol KEGG_COMPOUND alpha-hydroxyphenol ChEBI o-Benzenediol KEGG_COMPOUND o-hydroxyphenol NIST_Chemistry_WebBook pyrocatechin ChEBI A hexahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 3', 4', 5, 5' and 7. It has been isolated from the leaves of Myrica rubra and other plants. 0 C15H10O8 InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H IKMDFBPHZNJCSN-UHFFFAOYSA-N 318.23510 318.03757 Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O CHEBI:14636 CHEBI:44341 CHEBI:7053 Beilstein:332331 CAS:529-44-2 DrugBank:DB02375 HMDB:HMDB0002755 KEGG:C10107 KNApSAcK:C00001071 LINCS:LSM-2957 LIPID_MAPS_instance:LMPK12110001 MetaCyc:MYRICETIN PDBeChem:MYC PMID:19407970 PMID:19778600 PMID:22482362 PMID:23099505 PMID:23232835 PMID:23265454 PMID:23736695 Reaxys:332331 Wikipedia:Myricetin 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one Myricetin chebi_ontology 3,3',4',5,5',7-Hexahydroxyflavone 3,5,7,3',4',5'-Hexahydroxyflavone Cannabiscetin Myricetol CHEBI:18152 myricetin myricetin Beilstein:332331 Beilstein CAS:529-44-2 ChemIDplus CAS:529-44-2 KEGG COMPOUND LIPID_MAPS_instance:LMPK12110001 LIPID MAPS PMID:19407970 Europe PMC PMID:19778600 Europe PMC PMID:22482362 Europe PMC PMID:23099505 Europe PMC PMID:23232835 Europe PMC PMID:23265454 Europe PMC PMID:23736695 Europe PMC Reaxys:332331 Reaxys 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one IUPAC Myricetin KEGG_COMPOUND 3,3',4',5,5',7-Hexahydroxyflavone ChemIDplus 3,5,7,3',4',5'-Hexahydroxyflavone KEGG_COMPOUND Cannabiscetin ChemIDplus Myricetol ChemIDplus A biomacromolecule consisting of large numbers of monosaccharide residues linked glycosidically. This term is commonly used only for those containing more than ten monosaccharide residues. CHEBI:14864 CHEBI:26205 CHEBI:8322 KEGG:C00420 Polysaccharide polysaccharides chebi_ontology Glycan Glycane Glykan Glykane glycans polisacarido polisacaridos CHEBI:18154 polysaccharide polysaccharide Polysaccharide KEGG_COMPOUND polysaccharides IUPAC Glycan KEGG_COMPOUND Glycane ChEBI Glykan ChEBI Glykane ChEBI glycans IUPAC polisacarido ChEBI polisacaridos IUPAC A monohydroxycinnamic acid in which the hydroxy substituent is located at C-2 of the phenyl ring. 0 C9H8O3 InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12) PMOWTIHVNWZYFI-UHFFFAOYSA-N 164.15802 164.04734 [H]C(=Cc1ccccc1O)C(O)=O CHEBI:1151 CHEBI:19517 CHEBI:19633 AGR:IND43878326 AGR:IND44077244 Beilstein:2207352 CAS:583-17-5 KEGG:C03549 PMID:24248866 PMID:24868863 Reaxys:2207352 3-(2-hydroxyphenyl)prop-2-enoic acid chebi_ontology 2-Hydroxycinnamate 2-hydroxycinnamic acid 3-(2-hydroxyphenyl)acrylic acid o-coumaric acid, 2-hydroxycinnamic acid CHEBI:18176 2-coumaric acid 2-coumaric acid AGR:IND43878326 Europe PMC AGR:IND44077244 Europe PMC Beilstein:2207352 Beilstein CAS:583-17-5 ChemIDplus PMID:24248866 Europe PMC PMID:24868863 Europe PMC Reaxys:2207352 Reaxys 3-(2-hydroxyphenyl)prop-2-enoic acid IUPAC 2-Hydroxycinnamate KEGG_COMPOUND 2-hydroxycinnamic acid ChemIDplus 3-(2-hydroxyphenyl)acrylic acid ChEBI A tocopherol in which the chroman-6-ol core is substituted by methyl groups at positions 7 and 8. It is found particularly in maize (corn) oil and soya bean (soybean) oils. 0 C28H48O2 InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1 QUEDXNHFTDJVIY-DQCZWYHMSA-N 416.67952 416.36543 CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1 CHEBI:10579 CHEBI:12406 CHEBI:24199 AGR:IND605428769 AGR:IND607289207 Beilstein:93072 CAS:54-28-4 Chemspider:83708 DrugBank:DB15394 FooDB:FDB002431 HMDB:HMDB0001492 KEGG:C02483 KNApSAcK:C00007365 LIPID_MAPS_instance:LMPR02020065 MetaCyc:GAMA-TOCOPHEROL PMID:10875465 PMID:1146729 PMID:11811542 PMID:14871472 PMID:14988604 PMID:15189696 PMID:15190048 PMID:15213374 PMID:15256801 PMID:15493460 PMID:15753151 PMID:15932790 PMID:16115338 PMID:16336861 PMID:16384840 PMID:16400056 PMID:16481153 PMID:16875031 PMID:17823432 PMID:18582912 PMID:19838939 PMID:22411374 PMID:22513202 PMID:22607470 PMID:22888664 PMID:23429409 PMID:2388136 PMID:23993952 PMID:25501796 PMID:25916693 PMID:28211759 PMID:28506847 PMID:28629117 PMID:30361021 PMID:31136626 PMID:31583056 PMID:31957471 PMID:32065446 PMID:32197490 PMID:32488024 PMID:33352218 PMID:33549947 PMID:6618108 PMID:6875389 PMID:6959572 PMID:8514270 PMID:9537614 PMID:9808643 Reaxys:93072 Wikipedia:Gamma-Tocopherol (2R)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol gamma-Tocopherol gamma-tocopherol chebi_ontology (+)-gamma-tocopherol (2R)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol (2R)-3,4-dihydro-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol (2R,4'R,8'R)-gamma-tocopherol (R,R,R)-gamma-tocopherol 7,8-dimethyltocol D-gamma-tocopherol E308 RRR-gamma-tocopherol γ-tocopherol CHEBI:18185 gamma-tocopherol AGR:IND605428769 Europe PMC AGR:IND607289207 Europe PMC Beilstein:93072 Beilstein CAS:54-28-4 ChemIDplus CAS:54-28-4 KEGG COMPOUND LIPID_MAPS_instance:LMPR02020065 LIPID MAPS PMID:10875465 Europe PMC PMID:1146729 Europe PMC PMID:11811542 Europe PMC PMID:14871472 Europe PMC PMID:14988604 Europe PMC PMID:15189696 Europe PMC PMID:15190048 Europe PMC PMID:15213374 Europe PMC PMID:15256801 Europe PMC PMID:15493460 Europe PMC PMID:15753151 Europe PMC PMID:15932790 Europe PMC PMID:16115338 Europe PMC PMID:16336861 Europe PMC PMID:16384840 Europe PMC PMID:16400056 Europe PMC PMID:16481153 Europe PMC PMID:16875031 Europe PMC PMID:17823432 Europe PMC PMID:18582912 Europe PMC PMID:19838939 Europe PMC PMID:22411374 Europe PMC PMID:22513202 Europe PMC PMID:22607470 Europe PMC PMID:22888664 Europe PMC PMID:23429409 Europe PMC PMID:2388136 Europe PMC PMID:23993952 Europe PMC PMID:25501796 Europe PMC PMID:25916693 Europe PMC PMID:28211759 Europe PMC PMID:28506847 Europe PMC PMID:28629117 Europe PMC PMID:30361021 Europe PMC PMID:31136626 Europe PMC PMID:31583056 Europe PMC PMID:31957471 Europe PMC PMID:32065446 Europe PMC PMID:32197490 Europe PMC PMID:32488024 Europe PMC PMID:33352218 Europe PMC PMID:33549947 Europe PMC PMID:6618108 Europe PMC PMID:6875389 Europe PMC PMID:6959572 Europe PMC PMID:8514270 Europe PMC PMID:9537614 Europe PMC PMID:9808643 Europe PMC Reaxys:93072 Reaxys (2R)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol IUPAC gamma-Tocopherol KEGG_COMPOUND gamma-tocopherol UniProt (+)-gamma-tocopherol HMDB (2R)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol IUPAC (2R)-3,4-dihydro-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol ChemIDplus (2R,4'R,8'R)-gamma-tocopherol HMDB (R,R,R)-gamma-tocopherol HMDB 7,8-dimethyltocol ChEBI D-gamma-tocopherol ChemIDplus E308 ChEBI RRR-gamma-tocopherol ChEBI An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring. 0 C9H11NO3 InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13) OUYCCCASQSFEME-UHFFFAOYSA-N 181.18858 181.07389 NC(Cc1ccc(O)cc1)C(O)=O CHEBI:15277 CHEBI:27176 CHEBI:9800 Beilstein:515881 CAS:55520-40-6 CAS:556-03-6 Gmelin:27744 KEGG:C01536 KNApSAcK:C00001397 PMID:17190852 Reaxys:515881 Tyrosine tyrosine chebi_ontology 2-Amino-3-(p-hydroxyphenyl)propionic acid 2-amino-3-(4-hydroxyphenyl)propanoic acid 3-(p-Hydroxyphenyl)alanine Tyr Tyrosin Y tirosina CHEBI:18186 tyrosine tyrosine Beilstein:515881 Beilstein CAS:55520-40-6 ChemIDplus CAS:556-03-6 KEGG COMPOUND Gmelin:27744 Gmelin PMID:17190852 Europe PMC Reaxys:515881 Reaxys Tyrosine KEGG_COMPOUND tyrosine IUPAC 2-Amino-3-(p-hydroxyphenyl)propionic acid KEGG_COMPOUND 2-amino-3-(4-hydroxyphenyl)propanoic acid IUPAC 3-(p-Hydroxyphenyl)alanine KEGG_COMPOUND Tyr ChEBI Tyrosin ChEBI Y ChEBI tirosina ChEBI 0 C12H22O11 InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2 DLRVVLDZNNYCBX-UHFFFAOYSA-N 342.297 342.11621 O1C(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C(O)C1CO Chemspider:30782594 HMDB:HMDB0133305 6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol chebi_ontology CHEBI:181906 Polydextrose Polydextrose 6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol SUBMITTER The parent compound of the citrulline class consisting of ornithine having a carbamoyl group at the N(5)-position. 0 C6H13N3O3 InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12) RHGKLRLOHDJJDR-UHFFFAOYSA-N 175.18584 175.09569 NC(CCCNC(N)=O)C(O)=O CHEBI:14002 CHEBI:3730 Beilstein:1725417 Beilstein:2328251 CAS:627-77-0 PMID:11094453 PMID:11113071 PMID:11696417 PMID:1378088 PMID:16082501 PMID:16708633 PMID:17005970 PMID:17513438 PMID:17558653 PMID:17693747 PMID:18437289 PMID:18440672 PMID:18989563 PMID:19144577 PMID:21129371 PMID:21482070 Reaxys:1725417 Wikipedia:Citrulline 2-amino-5-(carbamoylamino)pentanoic acid Citrulline N(5)-carbamoylornithine citrulline chebi_ontology 2-Amino-5-uredovaleric acid Cit Citrullin DL-2-amino-5-ureidovaleric acid N(5)-(aminocarbonyl)-DL-ornithine N(5)-(aminocarbonyl)ornithine N(5)-carbamoyl-DL-ornithine citrulina dl-citrulline CHEBI:18211 citrulline Beilstein:1725417 Beilstein Beilstein:2328251 Beilstein CAS:627-77-0 ChemIDplus CAS:627-77-0 NIST Chemistry WebBook PMID:11094453 Europe PMC PMID:11113071 Europe PMC PMID:11696417 Europe PMC PMID:1378088 Europe PMC PMID:16082501 Europe PMC PMID:16708633 Europe PMC PMID:17005970 Europe PMC PMID:17513438 Europe PMC PMID:17558653 Europe PMC PMID:17693747 Europe PMC PMID:18437289 Europe PMC PMID:18440672 Europe PMC PMID:18989563 Europe PMC PMID:19144577 Europe PMC PMID:21129371 Europe PMC PMID:21482070 Europe PMC Reaxys:1725417 Reaxys 2-amino-5-(carbamoylamino)pentanoic acid IUPAC Citrulline KEGG_COMPOUND N(5)-carbamoylornithine IUPAC citrulline IUPAC 2-Amino-5-uredovaleric acid KEGG_COMPOUND Cit IUPAC Citrullin ChEBI DL-2-amino-5-ureidovaleric acid ChemIDplus N(5)-(aminocarbonyl)-DL-ornithine NIST_Chemistry_WebBook N(5)-(aminocarbonyl)ornithine ChEBI N(5)-carbamoyl-DL-ornithine NIST_Chemistry_WebBook citrulina ChEBI dl-citrulline NIST_Chemistry_WebBook An aldopentose, found in the embryos of most edible plants and used in medicine to test for malabsorption by administration in water to the patient. 0 C5H10O5 150.130 150.05282 CHEBI:10085 CHEBI:15332 CHEBI:27348 CHEBI:33944 CHEBI:46500 KEGG:C01394 Wikipedia:Xylose Xylose xylo-pentose xylose chebi_ontology DL-xylose Xyl CHEBI:18222 xylose xylose Xylose KEGG_COMPOUND xylo-pentose IUPAC xylose IUPAC DL-xylose ChEBI Xyl JCBN A phenylpropanoid that is an isomer of eugenol in which the allyl substituent is replaced by a prop-1-enyl group. 0 C10H12O2 InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3 BJIOGJUNALELMI-UHFFFAOYSA-N 164.20110 164.08373 COc1cc(C=CC)ccc1O CHEBI:14466 CHEBI:6007 Beilstein:1909602 CAS:97-54-1 Gmelin:2235523 KEGG:C10469 PMID:11033063 PMID:17573874 PMID:17698059 PMID:18416757 PMID:21969073 PMID:21989800 PMID:22613214 PMID:22671430 PMID:22686307 PMID:22827268 PMID:23047101 PMID:23161090 PMID:23281757 PMID:23286982 PMID:23306890 PMID:23391906 PMID:23627552 PMID:29079364 PMID:9084914 Reaxys:1909602 Wikipedia:Isoeugenol 2-methoxy-4-(prop-1-en-1-yl)phenol Isoeugenol isoeugenol chebi_ontology 1-Hydroxy-2-methoxy-4-propen-1-ylbenzene 1-Hydroxy-2-methoxy-4-propenylbenzene 2-Methoxy-4-propenylphenol 3-Methoxy-4-hydroxypropenylbenzene 4-Hydroxy-3-methoxypropenylbenzene 4-Propenylguaiacol Propenylguaiacol CHEBI:18224 isoeugenol Beilstein:1909602 Beilstein CAS:97-54-1 ChemIDplus CAS:97-54-1 KEGG COMPOUND CAS:97-54-1 NIST Chemistry WebBook Gmelin:2235523 Gmelin PMID:11033063 Europe PMC PMID:17573874 Europe PMC PMID:17698059 Europe PMC PMID:18416757 Europe PMC PMID:21969073 Europe PMC PMID:21989800 Europe PMC PMID:22613214 Europe PMC PMID:22671430 Europe PMC PMID:22686307 Europe PMC PMID:22827268 Europe PMC PMID:23047101 Europe PMC PMID:23161090 Europe PMC PMID:23281757 Europe PMC PMID:23286982 Europe PMC PMID:23306890 Europe PMC PMID:23391906 Europe PMC PMID:23627552 Europe PMC PMID:29079364 Europe PMC PMID:9084914 Europe PMC Reaxys:1909602 Reaxys 2-methoxy-4-(prop-1-en-1-yl)phenol IUPAC Isoeugenol KEGG_COMPOUND isoeugenol UniProt 1-Hydroxy-2-methoxy-4-propen-1-ylbenzene ChemIDplus 1-Hydroxy-2-methoxy-4-propenylbenzene NIST_Chemistry_WebBook 2-Methoxy-4-propenylphenol ChemIDplus 3-Methoxy-4-hydroxypropenylbenzene NIST_Chemistry_WebBook 4-Hydroxy-3-methoxypropenylbenzene NIST_Chemistry_WebBook 4-Propenylguaiacol ChemIDplus Propenylguaiacol NIST_Chemistry_WebBook A glucan that consists of a backbone of alpha-(1->4)-linked glucose residues, most of which are substituted with (1->6)-linked xylose side-chains. CHEBI:10081 CHEBI:15330 CHEBI:27344 KEGG:C00807 Wikipedia:Xyloglucan Xyloglucan xyloglucan chebi_ontology CHEBI:18233 xyloglucan xyloglucan Xyloglucan KEGG_COMPOUND xyloglucan UniProt An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2. 0 C5H9NO4 InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10) WHUUTDBJXJRKMK-UHFFFAOYSA-N 147.12930 147.05316 NC(CCC(O)=O)C(O)=O CHEBI:24314 CHEBI:5431 Beilstein:1723799 CAS:617-65-2 Gmelin:101971 KEGG:C00302 KEGG:D04341 KNApSAcK:C00001358 KNApSAcK:C00019577 PMID:15739367 PMID:17190852 PMID:24616376 PMID:24984001 Reaxys:1723799 Wikipedia:Glutamic_acid 2-aminopentanedioic acid Glutamic acid glutamic acid chebi_ontology 2-Aminoglutaric acid DL-Glutamic acid DL-Glutaminic acid E Glu Glutamate Glutaminic acid Glutaminsaeure CHEBI:18237 glutamic acid glutamic acid Beilstein:1723799 Beilstein CAS:617-65-2 ChemIDplus CAS:617-65-2 KEGG COMPOUND CAS:617-65-2 NIST Chemistry WebBook Gmelin:101971 Gmelin PMID:15739367 Europe PMC PMID:17190852 Europe PMC PMID:24616376 Europe PMC PMID:24984001 Europe PMC Reaxys:1723799 Reaxys 2-aminopentanedioic acid IUPAC Glutamic acid KEGG_COMPOUND glutamic acid IUPAC 2-Aminoglutaric acid KEGG_COMPOUND DL-Glutamic acid KEGG_DRUG DL-Glutaminic acid KEGG_COMPOUND E ChEBI Glu ChEBI Glutamate KEGG_COMPOUND Glutaminic acid KEGG_COMPOUND Glutaminsaeure ChEBI Catechol in which the hydrogen at position 4 is substituted by a 2-aminoethyl group. 0 C8H11NO2 InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2 VYFYYTLLBUKUHU-UHFFFAOYSA-N 153.17840 153.07898 NCCc1ccc(O)c(O)c1 CHEBI:11695 CHEBI:11930 CHEBI:14203 CHEBI:1764 CHEBI:23886 CHEBI:43686 CAS:51-61-6 DrugBank:DB00988 Drug_Central:947 HMDB:HMDB0000073 KEGG:C03758 KEGG:D07870 KNApSAcK:C00001408 LINCS:LSM-4630 MetaCyc:DOPAMINE PMID:10629745 PMID:11149432 PMID:9422813 Reaxys:1072822 Wikipedia:Dopamine 4-(2-aminoethyl)benzene-1,2-diol Dopamine chebi_ontology 2-(3,4-Dihydroxyphenyl)ethylamine 2-(3,4-dihydroxyphenyl)ethylamine 3,4-Dihydroxyphenethylamine 3-Hydroxytyramine 4-(2-Aminoethyl)-1,2-benzenediol 4-(2-Aminoethyl)benzene-1,2-diol 4-(2-aminoethyl)-1,2-benzenediol 4-(2-aminoethyl)catechol 4-(2-aminoethyl)pyrocatechol Deoxyepinephrine Hydroxytyramin dopamina dopamine dopaminum CHEBI:18243 dopamine dopamine CAS:51-61-6 ChemIDplus Drug_Central:947 DrugCentral PMID:10629745 Europe PMC PMID:11149432 Europe PMC PMID:9422813 Europe PMC Reaxys:1072822 Reaxys 4-(2-aminoethyl)benzene-1,2-diol IUPAC Dopamine KEGG_COMPOUND 2-(3,4-Dihydroxyphenyl)ethylamine KEGG_COMPOUND 2-(3,4-dihydroxyphenyl)ethylamine ChEBI 3,4-Dihydroxyphenethylamine KEGG_COMPOUND 3-Hydroxytyramine ChemIDplus 4-(2-Aminoethyl)-1,2-benzenediol KEGG_COMPOUND 4-(2-Aminoethyl)benzene-1,2-diol KEGG_COMPOUND 4-(2-aminoethyl)-1,2-benzenediol ChEBI 4-(2-aminoethyl)catechol ChemIDplus 4-(2-aminoethyl)pyrocatechol ChemIDplus Deoxyepinephrine DrugBank Hydroxytyramin DrugBank dopamina ChemIDplus dopamine ChEBI dopaminum ChemIDplus An alpha-amino acid that is pentanoic acid bearing two amino substituents at positions 2 and 5. 0 C5H12N2O2 InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9) AHLPHDHHMVZTML-UHFFFAOYSA-N 132.16106 132.08988 NCCCC(N)C(O)=O CHEBI:7784 Beilstein:1722296 CAS:616-07-9 Gmelin:847696 KEGG:C01602 KNApSAcK:C00001384 PMID:15449570 PMID:17190852 PMID:22264337 Reaxys:1722296 2,5-diaminopentanoic acid Ornithine ornithine chebi_ontology 2,5-Diaminopentanoic acid 2,5-Diaminovaleric acid DL-Ornithine Orn CHEBI:18257 ornithine Beilstein:1722296 Beilstein CAS:616-07-9 ChemIDplus Gmelin:847696 Gmelin PMID:15449570 Europe PMC PMID:17190852 Europe PMC PMID:22264337 Europe PMC Reaxys:1722296 Reaxys 2,5-diaminopentanoic acid IUPAC Ornithine KEGG_COMPOUND ornithine IUPAC 2,5-Diaminopentanoic acid KEGG_COMPOUND 2,5-Diaminovaleric acid KEGG_COMPOUND DL-Ornithine ChemIDplus Orn IUPAC Any form of fucose having L configuration. 0 C6H12O5 164.15648 164.06847 CHEBI:13102 CHEBI:21293 CAS:2438-80-4 PMID:20877283 6-deoxy-L-galactose L-fucose chebi_ontology (-)-L-fucose (-)-fucose L-(-)-fucose L-Fuc L-galactomethylose CHEBI:18287 L-fucose L-fucose CAS:2438-80-4 ChemIDplus PMID:20877283 Europe PMC 6-deoxy-L-galactose IUPAC L-fucose IUPAC (-)-L-fucose ChemIDplus (-)-fucose ChemIDplus L-(-)-fucose ChemIDplus L-Fuc JCBN L-galactomethylose ChemIDplus 0 Mn InChI=1S/Mn PWHULOQIROXLJO-UHFFFAOYSA-N 54.93805 54.93804 [Mn] CHEBI:13382 CHEBI:25153 CHEBI:6681 CAS:7439-96-5 KEGG:C00034 WebElements:Mn manganese chebi_ontology 25Mn Mangan Manganese Mn manganese manganeso manganum CHEBI:18291 manganese atom manganese atom CAS:7439-96-5 ChemIDplus CAS:7439-96-5 KEGG COMPOUND manganese IUPAC 25Mn IUPAC Mangan NIST_Chemistry_WebBook Manganese KEGG_COMPOUND Mn IUPAC Mn UniProt manganese ChEBI manganeso ChEBI manganum ChEBI A class of aminophospholipids in which a phosphatidyl group is esterified to the hydroxy group of serine. 0 C8H12NO10P 313.156 313.01988 C(C(COP(=O)(OC[C@@H](C(=O)O)N)O)OC(=O)*)OC(=O)* CHEBI:14801 CHEBI:26041 CHEBI:8137 DrugBank:DB00144 HMDB:HMDB0014291 KEGG:C02737 MetaCyc:L-1-PHOSPHATIDYL-SERINE PMID:10540156 PMID:15533308 PMID:19687511 PMID:23543734 PMID:3106116 PMID:3196084 PMID:4153523 PMID:8204602 PMID:8626656 PMID:9677350 Patent:EP2322184 Patent:HK1046237 Patent:US2011098249 Wikipedia:Phosphatidylserine chebi_ontology PS Phosphatidylserine Ptd-L-Ser phosphatidyl-L-serines CHEBI:18303 phosphatidyl-L-serine phosphatidyl-L-serine PMID:10540156 Europe PMC PMID:15533308 Europe PMC PMID:19687511 Europe PMC PMID:23543734 Europe PMC PMID:3106116 Europe PMC PMID:3196084 Europe PMC PMID:4153523 Europe PMC PMID:8204602 Europe PMC PMID:8626656 Europe PMC PMID:9677350 Europe PMC PS ChEBI Phosphatidylserine KEGG_COMPOUND Ptd-L-Ser ChEBI phosphatidyl-L-serines ChEBI A monosaccharide derivative that is hydroquinone attached to a beta-D-glucopyranosyl residue at position 4 via a glycosidic linkage. 0 C12H16O7 InChI=1S/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2/t8-,9-,10+,11-,12-/m1/s1 BJRNKVDFDLYUGJ-RMPHRYRLSA-N 272.25120 272.08960 OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O CHEBI:14417 CHEBI:2806 Beilstein:89673 CAS:497-76-7 Drug_Central:4267 HMDB:HMDB0029943 KEGG:C06186 KNApSAcK:C00002638 LINCS:LSM-5255 MetaCyc:HYDROQUINONE-O-BETA-D-GLUCOPYRANOSIDE PMID:15287073 PMID:9518563 Reaxys:89673 Wikipedia:Arbutin 4-hydroxyphenyl beta-D-glucopyranoside arbutin hydroquinone O-beta-D-glucopyranoside chebi_ontology Arbutin Hydroquinone-O-beta-D-glucopyranoside Ursin Uvasol p-hydroxyphenyl beta-D-glucopyranoside p-hydroxyphenyl beta-D-glucoside CHEBI:18305 hydroquinone O-beta-D-glucopyranoside Beilstein:89673 Beilstein CAS:497-76-7 ChemIDplus CAS:497-76-7 KEGG COMPOUND Drug_Central:4267 DrugCentral PMID:15287073 Europe PMC PMID:9518563 Europe PMC Reaxys:89673 Reaxys 4-hydroxyphenyl beta-D-glucopyranoside IUPAC hydroquinone O-beta-D-glucopyranoside UniProt Arbutin KEGG_COMPOUND Hydroquinone-O-beta-D-glucopyranoside KEGG_COMPOUND Ursin KEGG_COMPOUND Uvasol KEGG_COMPOUND p-hydroxyphenyl beta-D-glucopyranoside ChemIDplus p-hydroxyphenyl beta-D-glucoside ChemIDplus A C-glycosyl compound that consists of apigenin substituted by a 1,5-anhydro-D-glucitol moiety at position 6. 0 C21H20O10 InChI=1S/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2/t14-,17-,19+,20-,21+/m1/s1 MYXNWGACZJSMBT-VJXVFPJBSA-N 432.37750 432.10565 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1 CHEBI:14482 CHEBI:22806 CHEBI:2771 Beilstein:66651 CAS:29702-25-8 CAS:38953-85-4 KEGG:C01714 KNApSAcK:C00001059 LIPID_MAPS_instance:LMPK12110338 MetaCyc:ISOVITEXIN PMID:16142640 PMID:22475010 PMID:22683902 PMID:23057589 Reaxys:66651 Wikipedia:Isovitexin (1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol Isovitexin chebi_ontology 6-C-Glucosylapigenin 6-Glucosylapigenin Apigenin 6-C-glucoside Apigenin-6-C-glucoside Saponaretin beta-D-isovitexin CHEBI:18330 isovitexin isovitexin Beilstein:66651 Beilstein CAS:29702-25-8 KEGG COMPOUND CAS:38953-85-4 KEGG COMPOUND LIPID_MAPS_instance:LMPK12110338 LIPID MAPS PMID:16142640 Europe PMC PMID:22475010 Europe PMC PMID:22683902 Europe PMC PMID:23057589 Europe PMC Reaxys:66651 Reaxys (1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol IUPAC Isovitexin KEGG_COMPOUND 6-C-Glucosylapigenin KEGG_COMPOUND 6-Glucosylapigenin ChemIDplus Apigenin 6-C-glucoside KEGG_COMPOUND Apigenin-6-C-glucoside KEGG_COMPOUND Saponaretin KEGG_COMPOUND beta-D-isovitexin ChEBI A member of the class of benzaldehydes carrying methoxy and hydroxy substituents at positions 3 and 4 respectively. 0 C8H8O3 InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3 MWOOGOJBHIARFG-UHFFFAOYSA-N 152.149 152.04734 [H]C(=O)C1=CC(OC)=C(O)C=C1 CHEBI:15302 CHEBI:1842 CHEBI:20380 CHEBI:48387 Beilstein:472792 CAS:121-33-5 FooDB:FDB000838 Gmelin:3596 HMDB:HMDB0012308 KEGG:C00755 KEGG:D00091 KNApSAcK:C00002683 KNApSAcK:C00029531 MetaCyc:VANILLIN PDBeChem:V55 PMCID:PMC7790484 PMCID:PMC8235570 PMID:18479250 PMID:19238838 PMID:19812218 PMID:21417387 PMID:21542597 PMID:21846089 PMID:22308371 PMID:29950589 PMID:31661600 PMID:33477040 PMID:33938405 PMID:34013088 PMID:34035660 UM-BBD_compID:c0193 Wikipedia:Vanillin 4-hydroxy-3-methoxybenzaldehyde Vanillin vanillin chebi_ontology 3-methoxy-4-hydroxybenzaldehyde 4-Hydroxy-3-methoxy-benzaldehyde 4-Hydroxy-3-methoxybenzaldehyde 4-formyl-2-methoxyphenol 4-hydroxy-3-methoxybenzaldehyde 4-hydroxy-m-anisaldehyde Vanillaldehyde methylprotocatechuic aldehyde p-hydroxy-m-methoxybenzaldehyde p-vanillin vaniline vanillaldehyde vanillic aldehyde CHEBI:18346 vanillin vanillin Beilstein:472792 Beilstein CAS:121-33-5 ChemIDplus CAS:121-33-5 NIST Chemistry WebBook Gmelin:3596 Gmelin PMCID:PMC7790484 Europe PMC PMCID:PMC8235570 Europe PMC PMID:18479250 Europe PMC PMID:19238838 Europe PMC PMID:19812218 Europe PMC PMID:21417387 Europe PMC PMID:21542597 Europe PMC PMID:21846089 Europe PMC PMID:22308371 Europe PMC PMID:29950589 Europe PMC PMID:31661600 Europe PMC PMID:33477040 Europe PMC PMID:33938405 Europe PMC PMID:34013088 Europe PMC PMID:34035660 Europe PMC UM-BBD_compID:c0193 UM-BBD 4-hydroxy-3-methoxybenzaldehyde IUPAC Vanillin KEGG_COMPOUND vanillin UniProt 3-methoxy-4-hydroxybenzaldehyde UM-BBD 4-Hydroxy-3-methoxy-benzaldehyde KEGG_COMPOUND 4-Hydroxy-3-methoxybenzaldehyde KEGG_COMPOUND 4-formyl-2-methoxyphenol ChemIDplus 4-hydroxy-3-methoxybenzaldehyde ChemIDplus 4-hydroxy-m-anisaldehyde NIST_Chemistry_WebBook Vanillaldehyde KEGG_COMPOUND methylprotocatechuic aldehyde ChemIDplus p-hydroxy-m-methoxybenzaldehyde NIST_Chemistry_WebBook p-vanillin NIST_Chemistry_WebBook vaniline ChEBI vanillaldehyde ChemIDplus vanillic aldehyde ChemIDplus A monomethoxybenzene that is 2-methoxyphenol substituted by a hydroxymethyl group at position 4. 0 C8H10O3 InChI=1S/C8H10O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,9-10H,5H2,1H3 ZENOXNGFMSCLLL-UHFFFAOYSA-N 154.16320 154.06299 COc1cc(CO)ccc1O CHEBI:15303 CHEBI:1843 CHEBI:27279 CAS:498-00-0 HMDB:HMDB0032012 KEGG:C06317 PMID:21705974 PMID:23615732 PMID:24508370 PMID:24725964 Reaxys:1910044 UM-BBD_compID:c0588 Wikipedia:Vanillyl_alcohol 4-(hydroxymethyl)-2-methoxyphenol Vanillyl alcohol chebi_ontology 4-Hydroxy-3-methoxy-benzenemethanol 4-Hydroxy-3-methoxybenzenemethanol 4-Hydroxy-3-methoxybenzyl alcohol 4-hydroxy-3-methoxy-benzenemethanol 4-hydroxy-3-methoxybenzenemethanol 4-hydroxy-3-methoxybenzyl alcohol CHEBI:18353 vanillyl alcohol vanillyl alcohol CAS:498-00-0 KEGG COMPOUND PMID:21705974 Europe PMC PMID:23615732 Europe PMC PMID:24508370 Europe PMC PMID:24725964 Europe PMC Reaxys:1910044 Reaxys UM-BBD_compID:c0588 UM-BBD 4-(hydroxymethyl)-2-methoxyphenol IUPAC Vanillyl alcohol KEGG_COMPOUND 4-Hydroxy-3-methoxy-benzenemethanol KEGG_COMPOUND 4-Hydroxy-3-methoxybenzenemethanol KEGG_COMPOUND 4-Hydroxy-3-methoxybenzyl alcohol KEGG_COMPOUND 4-hydroxy-3-methoxy-benzenemethanol ChEBI 4-hydroxy-3-methoxy-benzenemethanol UniProt 4-hydroxy-3-methoxybenzenemethanol ChEBI 4-hydroxy-3-methoxybenzyl alcohol ChEBI A trihydroxyflavone that is flavone substituted by hydroxy groups at positions 4', 5 and 7. It induces autophagy in leukaemia cells. 0 C15H10O5 InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H KZNIFHPLKGYRTM-UHFFFAOYSA-N 270.23690 270.05282 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1 CHEBI:12084 CHEBI:22588 CHEBI:2768 Beilstein:262620 CAS:520-36-5 HMDB:HMDB0002124 KEGG:C01477 KNApSAcK:C00003817 LINCS:LSM-5206 LIPID_MAPS_instance:LMPK12110005 MetaCyc:CPD-431 PDBeChem:AGI PMID:23304222 PMID:23344191 PMID:23354402 PMID:23359392 PMID:28166217 Reaxys:262620 Wikipedia:Apigenin 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one Apigenin chebi_ontology 2-(p-hydroxyphenyl)-5,7-dihydroxychromone 4',5,7-Trihydroxyflavone 5,7,4'-Trihydroxyflavone 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one C.I. Natural Yellow 1 chamomile spigenin versulin CHEBI:18388 apigenin apigenin Beilstein:262620 Beilstein CAS:520-36-5 ChemIDplus CAS:520-36-5 KEGG COMPOUND LIPID_MAPS_instance:LMPK12110005 LIPID MAPS PMID:23304222 Europe PMC PMID:23344191 Europe PMC PMID:23354402 Europe PMC PMID:23359392 Europe PMC PMID:28166217 Europe PMC Reaxys:262620 Reaxys 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one IUPAC Apigenin KEGG_COMPOUND 2-(p-hydroxyphenyl)-5,7-dihydroxychromone ChemIDplus 4',5,7-Trihydroxyflavone KEGG_COMPOUND 5,7,4'-Trihydroxyflavone KEGG_COMPOUND 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone ChemIDplus 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one ChemIDplus C.I. Natural Yellow 1 ChemIDplus chamomile ChEBI spigenin ChEBI versulin ChEBI A glycosylfructose that is D-fructofuranose attached to a alpha-D-glucopyranosyl unit at position 6 via a glycosidic linkage. It is found in honey and sugarcane. 0 C12H22O11 InChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11+,12?/m1/s1 PVXPPJIGRGXGCY-TZLCEDOOSA-N 342.29648 342.11621 OC[C@H]1O[C@H](OC[C@H]2OC(O)(CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O CHEBI:12197 CHEBI:20686 CHEBI:7893 Beilstein:1435314 CAS:13718-94-0 CAS:15132-06-6 KEGG:C01742 KEGG:G01241 MetaCyc:CPD-230 PMID:17548953 PMID:21895946 PMID:22133441 PMID:22264450 PMID:24866943 Patent:EP1328647 Patent:WO0218603 Reaxys:1435314 6-O-alpha-D-Glucopyranosyl-D-fructofuranose 6-O-alpha-D-glucopyranosyl-D-fructofuranose isomaltulose chebi_ontology 6-O-alpha-D-glucopyranosyl-D-fructose Palatinose isomaltulose CHEBI:18394 6-O-alpha-D-glucopyranosyl-D-fructofuranose Beilstein:1435314 Beilstein CAS:13718-94-0 KEGG COMPOUND CAS:15132-06-6 KEGG COMPOUND PMID:17548953 Europe PMC PMID:21895946 Europe PMC PMID:22133441 Europe PMC PMID:22264450 Europe PMC PMID:24866943 Europe PMC Reaxys:1435314 Reaxys 6-O-alpha-D-Glucopyranosyl-D-fructofuranose KEGG_COMPOUND 6-O-alpha-D-glucopyranosyl-D-fructofuranose IUPAC 6-O-alpha-D-glucopyranosyl-D-fructose UniProt Palatinose KEGG_COMPOUND isomaltulose ChEBI A methylcatechol carrying a methyl substituent at position 3. It is a xenobiotic metabolite produced by some bacteria capable of degrading nitroaromatic compounds present in pesticide-contaminated soil samples. 0 C7H8O2 InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3 PGSWEKYNAOWQDF-UHFFFAOYSA-N 124.13722 124.05243 Cc1cccc(O)c1O CHEBI:11857 CHEBI:20127 CHEBI:43829 CHEBI:887 CAS:488-17-5 DrugBank:DB03454 KEGG:C02923 MetaCyc:CPD-111 PDBeChem:MBD PMID:20582618 PMID:22854893 PMID:23250222 Reaxys:774602 UM-BBD_compID:c0125 Wikipedia:3-Methylcatechol 3-METHYLCATECHOL 3-Methylcatechol 3-methylbenzene-1,2-diol 3-methylcatechol chebi_ontology 2,3-Dihydroxytoluene 2,3-dihydroxytoluene CHEBI:18404 3-methylcatechol CAS:488-17-5 ChemIDplus CAS:488-17-5 KEGG COMPOUND PMID:20582618 Europe PMC PMID:22854893 Europe PMC PMID:23250222 Europe PMC Reaxys:774602 Reaxys