EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:77687 - 2'-hydroxyformononetin(1−)

ChEBI IDCHEBI:77687
ChEBI Name2'-hydroxyformononetin(1−)
Stars
ASCII Name2'-hydroxyformononetin(1-)
DefinitionA flavonoid oxoanion that is the conjugate base of 2'-hydroxyformononetin, 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
FormulaC16H11O5
Net Charge-1
Average Mass283.259
Monoisotopic Mass283.06120
SMILESCOc1ccc(-c2coc3cc([O-])ccc3c2=O)c(O)c1
InChIInChI=1S/C16H12O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-8,17-18H,1H3/p-1
InChIKeyXKHHKXCBFHUOHM-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
2'-hydroxyformononetin(1−) (CHEBI:77687) is a flavonoid oxoanion (CHEBI:60038)
2'-hydroxyformononetin(1−) (CHEBI:77687) is conjugate base of 2'-hydroxyformononetin (CHEBI:17678)
Incoming Relation(s)
2'-hydroxyformononetin (CHEBI:17678) is conjugate acid of 2'-hydroxyformononetin(1−) (CHEBI:77687)
IUPAC Name 
3-(2-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-olate
UniProt Name  Source
2'-hydroxyformononetinUniProt