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CHEBI:142869 - (3R,4R)-7,2',4'-trihydroxyisoflavanol

Default Structure
ChEBI IDCHEBI:142869
ChEBI Name(3R,4R)-7,2',4'-trihydroxyisoflavanol
Stars
ASCII Name(3R,4R)-7,2',4'-trihydroxyisoflavanol
DefinitionA member of the class of hydroxyisoflavans that is isoflavan-4-ol which is substituted at positions 7, 2' and 4' by hydroxy groups (the 3R,4R stereoisomer).
Last Modified10 January 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H14O5
Net Charge0
Average Mass274.272
Monoisotopic Mass274.08412
SMILESOc1ccc([C@@H]2COc3cc(O)ccc3[C@@H]2O)c(O)c1
InChIInChI=1S/C15H14O5/c16-8-1-3-10(13(18)5-8)12-7-20-14-6-9(17)2-4-11(14)15(12)19/h1-6,12,15-19H,7H2/t12-,15-/m0/s1
InChIKeyGEFJKNBTBQBFOH-WFASDCNBSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R,4R)-7,2',4'-trihydroxyisoflavanol (CHEBI:142869) is a hydroxyisoflavans (CHEBI:76250)
(3R,4R)-7,2',4'-trihydroxyisoflavanol (CHEBI:142869) is a resorcinols (CHEBI:33572)
IUPAC Name 
(3R,4R)-3-(2,4-dihydroxyphenyl)chromane-4,7-diol
Synonym  Source
(3R,4R)-3-(2,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-4,7-diolIUPAC
UniProt Name  Source
(3R,4R)-7,2',4'-trihydroxyisoflavanolUniProt
Manual XrefsDatabases
CPD-14740MetaCyc