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CHEBI:85906 - (2R,3S)-2,7-dihydroxy-4'-methoxyisoflavanone

Default Structure
ChEBI IDCHEBI:85906
ChEBI Name(2R,3S)-2,7-dihydroxy-4'-methoxyisoflavanone
Stars
ASCII Name(2R,3S)-2,7-dihydroxy-4'-methoxyisoflavanone
DefinitionA 2,7-dihydroxy-4'-methoxyisoflavanone in which positions 2 and 3 have R- and S-configuration respectively.
Last Modified19 June 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC16H14O5
Net Charge0
Average Mass286.283
Monoisotopic Mass286.08412
SMILESCOc1ccc([C@@H]2C(=O)c3ccc(O)cc3O[C@H]2O)cc1
InChIInChI=1S/C16H14O5/c1-20-11-5-2-9(3-6-11)14-15(18)12-7-4-10(17)8-13(12)21-16(14)19/h2-8,14,16-17,19H,1H3/t14-,16-/m1/s1
InChIKeyPKQQPELXMZRYJY-GDBMZVCRSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3S)-2,7-dihydroxy-4'-methoxyisoflavanone (CHEBI:85906) is a 2,7-dihydroxy-4'-methoxyisoflavanone (CHEBI:62734)
IUPAC Name 
(2R,3S)-2,7-dihydroxy-3-(4-methoxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one
UniProt Name  Source
(2R,3S)-2,7-dihydroxy-4'-methoxyisoflavanoneUniProt
Manual XrefsDatabases
CPD-3502MetaCyc
Registry NumbersSources
Reaxys:10563880Reaxys