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CHEBI:77688 - formononetin(1−)

ChEBI IDCHEBI:77688
ChEBI Nameformononetin(1−)
Stars
ASCII Nameformononetin(1-)
DefinitionA flavonoid oxoanion that is the conjugate base of formononetin, obtained by deprotonation of the 7-hydroxy group. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified18 June 2014
SubmitterAnne Morgat
DownloadsMolfile
FormulaC16H11O4
Net Charge-1
Average Mass267.260
Monoisotopic Mass267.06628
SMILESCOc1ccc(-c2coc3cc([O-])ccc3c2=O)cc1
InChIInChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3/p-1
InChIKeyHKQYGTCOTHHOMP-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
formononetin(1−) (CHEBI:77688) is a flavonoid oxoanion (CHEBI:60038)
formononetin(1−) (CHEBI:77688) is conjugate base of formononetin (CHEBI:18088)
Incoming Relation(s)
formononetin (CHEBI:18088) is conjugate acid of formononetin(1−) (CHEBI:77688)
IUPAC Name 
3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-olate
UniProt Name  Source
formononetinUniProt