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CHEBI:31080 - 2-hydroxy-2,3-dihydrogenistein

ChEBI IDCHEBI:31080
ChEBI Name2-hydroxy-2,3-dihydrogenistein
Stars
DefinitionA hydroxyisoflavanone that is 2,3-dihydrogenistein with a hydroxy substituent at position 2.
Last Modified13 March 2014
DownloadsMolfile
FormulaC15H12O6
Net Charge0
Average Mass288.255
Monoisotopic Mass288.06339
SMILESO=C1c2c(O)cc(O)cc2OC(O)C1c1ccc(O)cc1
InChIInChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)12-14(19)13-10(18)5-9(17)6-11(13)21-15(12)20/h1-6,12,15-18,20H
InChIKeyUQOJAGBSKPHQOG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-hydroxy-2,3-dihydrogenistein (CHEBI:31080) has functional parent genistein (CHEBI:28088)
2-hydroxy-2,3-dihydrogenistein (CHEBI:31080) is a hydroxyisoflavanone (CHEBI:72739)
2-hydroxy-2,3-dihydrogenistein (CHEBI:31080) is conjugate acid of 2-hydroxy-2,3-dihydrogenistein-7-olate (CHEBI:58636)
Incoming Relation(s)
2-hydroxy-2,3-dihydrogenistein-7-olate (CHEBI:58636) is conjugate base of 2-hydroxy-2,3-dihydrogenistein (CHEBI:31080)
IUPAC Name 
2,5,7-trihydroxy-3-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one
Synonyms  Source
2,5,7-trihydroxy-3-(4-hydroxyphenyl)chroman-4-oneChEBI
2,5,7,4'-tetrahydroxyisoflavanolChEBI
UniProt Name  Source
2-hydroxy-2,3-dihydrogenisteinUniProt
Manual XrefsDatabases
C12631KEGG COMPOUND
CPD-3161MetaCyc
Registry NumbersSources
Reaxys:8074688Reaxys