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CHEBI:142866 - (3S,4R)-7,2'-dihydroxy-4'-methoxyisoflavanol

ChEBI IDCHEBI:142866
ChEBI Name(3S,4R)-7,2'-dihydroxy-4'-methoxyisoflavanol
Stars
ASCII Name(3S,4R)-7,2'-dihydroxy-4'-methoxyisoflavanol
DefinitionA 7,2'-dihydroxy-4'-methoxyisoflavanol that has 3S,4R configuration.
Last Modified15 November 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC16H16O5
Net Charge0
Average Mass288.299
Monoisotopic Mass288.09977
SMILESCOc1ccc([C@H]2COc3cc(O)ccc3[C@@H]2O)c(O)c1
InChIInChI=1S/C16H16O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-7,13,16-19H,8H2,1H3/t13-,16+/m1/s1
InChIKeyYZBBUYKPTHDZHF-CJNGLKHVSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(3S,4R)-7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:142866) is a 7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:142880)
IUPAC Name 
(3S,4R)-3-(2-hydroxy-4-methoxyphenyl)chromane-4,7-diol
Synonyms  Source
(3S,4R)-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-4,7-diolIUPAC
(3S,4R)-DMIMetaCyc
(3S,4R)-4'-methoxyisoflavan-2',4,7-triolMetaCyc
UniProt Name  Source
(3S,4R)-7,2'-dihydroxy-4'-methoxyisoflavanolUniProt
Manual XrefsDatabases
CPD-20032MetaCyc
Citations