EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:72646 - (3R,4R)-7,2'-dihydroxy-4'-methoxyisoflavanol

ChEBI IDCHEBI:72646
ChEBI Name(3R,4R)-7,2'-dihydroxy-4'-methoxyisoflavanol
Stars
ASCII Name(3R,4R)-7,2'-dihydroxy-4'-methoxyisoflavanol
DefinitionThe diastereomer of 7,2'-dihydroxy-4'-methoxyisoflavanol that has 3R,4R-configuration.
Last Modified10 January 2019
SubmitterSteve
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-/m0/s1
InChIKeyYZBBUYKPTHDZHF-BBRMVZONSA-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,4R)-7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:72646) is a (3R,4R)-4,2'-dihydroxyisoflavans (CHEBI:140181)
(3R,4R)-7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:72646) is a (3R)-7,2'-dihydroxy-4'-methoxyisoflavanol (CHEBI:71335)
IUPAC Name 
(3R,4R)-3-(2-hydroxy-4-methoxyphenyl)chromane-4,7-diol
UniProt Name  Source
(3R,4R)-7,2'-dihydroxy-4'-methoxyisoflavanolUniProt
Manual XrefsDatabases
CPD-3441MetaCyc
C16187KEGG COMPOUND