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CHEBI:71335 - (3R)-7,2'-dihydroxy-4'-methoxyisoflavanol

Default Structure
ChEBI IDCHEBI:71335
ChEBI Name(3R)-7,2'-dihydroxy-4'-methoxyisoflavanol
Stars
ASCII Name(3R)-7,2'-dihydroxy-4'-methoxyisoflavanol
DefinitionA 7,2'-dihydroxy-4'-methoxyisoflavanol that has R configuration at position 3.
Last Modified10 January 2019
SubmitterKAX
DownloadsMolfile
FormulaC16H16O5
Net Charge0
Average Mass288.299
Monoisotopic Mass288.09977
SMILESCOc1ccc([C@@H]2COc3cc(O)ccc3C2O)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?/m0/s1
InChIKeyYZBBUYKPTHDZHF-KNVGNIICSA-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)
(3R)-7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:71335) has parent hydride (R)-isoflavan (CHEBI:36101)
(3R)-7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:71335) is a 7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:142880)
(3R)-7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:71335) is a aromatic ether (CHEBI:35618)
(3R)-7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:71335) is a hydroxyisoflavans (CHEBI:76250)
(3R)-7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:71335) is a methoxyisoflavan (CHEBI:77002)
(3R)-7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:71335) is a secondary alcohol (CHEBI:35681)
(3R)-7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:71335) is conjugate base of (3R)-7,2'-dihydroxy-4'-methoxyisoflavanol 4-oxonium cation (CHEBI:72648)
Incoming Relation(s)
(3R,4R)-7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:72646) is a (3R)-7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:71335)
(3R)-7,2'-dihydroxy-4'-methoxyisoflavanol 4-oxonium cation (CHEBI:72648) is conjugate acid of (3R)-7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:71335)
IUPAC Name 
(3R)-3-(2-hydroxy-4-methoxyphenyl)chromane-4,7-diol
Synonyms  Source
(3R)-7,2'-dihydroxy-4'-methoxyisoflavanolChEBI
DMIKEGG COMPOUND
UniProt Name  Source
4'-methoxyisoflavan-2',4,7-triolUniProt
Manual XrefsDatabases
C16187KEGG COMPOUND
Citations