EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:74812 - apiforol

ChEBI IDCHEBI:74812
ChEBI Nameapiforol
Stars
DefinitionA tetrahydroxyflavan in which the four hydroxy substituents are located at positions 4, 4', 5 and 7.
Secondary ChEBI IDCHEBI:29520
Last Modified28 July 2014
DownloadsMolfile
FormulaC15H14O5
Net Charge0
Average Mass274.272
Monoisotopic Mass274.08412
SMILESOc1ccc([C@@H]2CC(O)c3c(O)cc(O)cc3O2)cc1
InChIInChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,12-13,16-19H,7H2/t12?,13-/m0/s1
InChIKeyRPKUCYSGAXIESU-ABLWVSNPSA-N
Wikipedia
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
apiforol (CHEBI:74812) has role metabolite (CHEBI:25212)
apiforol (CHEBI:74812) is a tetrahydroxyflavan (CHEBI:72011)
IUPAC Name 
(2S)-2-(4-hydroxyphenyl)chromane-4,5,7-triol
Synonyms  Source
ApiforolKEGG COMPOUND
leucoapigeninidinMetaCyc
(2S)-apiforolChEBI
flavan-4,4',5,7-tetrolChEBI
Manual XrefsDatabases
C12124KEGG COMPOUND
CPD-11940MetaCyc
ApiforolWikipedia
C00008975KNApSAcK
Registry NumbersSources
Reaxys:6734817Reaxys
CAS:55167-29-8KEGG COMPOUND