EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:61339 - 5-hydroxypseudobaptigenin(1−)

ChEBI IDCHEBI:61339
ChEBI Name5-hydroxypseudobaptigenin(1−)
Stars
ASCII Name5-hydroxypseudobaptigenin(1-)
DefinitionA phenolate anion that results from the removal of a proton from the hydroxy group at position 7 of 5-hydroxypseudobaptigenin.
Last Modified29 January 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC16H9O6
Net Charge-1
Average Mass297.242
Monoisotopic Mass297.04046
SMILESO=c1c(-c2ccc3c(c2)OCO3)coc2cc([O-])cc(O)c12
InChIInChI=1S/C16H10O6/c17-9-4-11(18)15-14(5-9)20-6-10(16(15)19)8-1-2-12-13(3-8)22-7-21-12/h1-6,17-18H,7H2/p-1
InChIKeyBNFXYMBRFDJYCH-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
5-hydroxypseudobaptigenin(1−) (CHEBI:61339) is a phenolate anion (CHEBI:50525)
5-hydroxypseudobaptigenin(1−) (CHEBI:61339) is conjugate base of 5-hydroxypseudobaptigenin (CHEBI:61312)
Incoming Relation(s)
5-hydroxypseudobaptigenin (CHEBI:61312) is conjugate acid of 5-hydroxypseudobaptigenin(1−) (CHEBI:61339)
IUPAC Name 
3-(1,3-benzodioxol-5-yl)-5-hydroxy-4-oxo-4H-chromen-7-olate
Synonyms  Source
5-hydroxypseudobaptigenin anionChEBI
5-hydroxy-3',4'-(methylenedioxy)isoflavone-7-olateChEBI
3-(1,3-benzodioxol-5-yl)-5-hydroxy-4H-1-benzopyran-4-on-7-olateChEBI
UniProt Name  Source
5-hydroxypseudobaptigeninUniProt