EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:61323 - pratensein(1−)

Default Structure
ChEBI IDCHEBI:61323
ChEBI Namepratensein(1−)
Stars
ASCII Namepratensein(1-)
DefinitionA phenolate anion that results from the removal of a proton from the hydroxy group at position 7 of pratensein.
Last Modified25 September 2012
SubmitterGareth Owen
DownloadsMolfile
FormulaC16H11O6
Net Charge-1
Average Mass299.258
Monoisotopic Mass299.05611
SMILESCOc1ccc(-c2coc3cc([O-])cc(O)c3c2=O)cc1O
InChIInChI=1S/C16H12O6/c1-21-13-3-2-8(4-11(13)18)10-7-22-14-6-9(17)5-12(19)15(14)16(10)20/h2-7,17-19H,1H3/p-1
InChIKeyFPIOBTBNRZPWJW-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
pratensein(1−) (CHEBI:61323) is a phenolate anion (CHEBI:50525)
pratensein(1−) (CHEBI:61323) is conjugate base of pratensein (CHEBI:8359)
Incoming Relation(s)
pratensein (CHEBI:8359) is conjugate acid of pratensein(1−) (CHEBI:61323)
IUPAC Name 
5-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-olate
Synonyms  Source
3',5,7-trihydroxy-4'-methoxyisoflavone(1−)ChEBI
3',5-dihydroxy-4'-methoxyisoflavone-7-olateChEBI
3'-hydroxy-biochanin A(1−)ChEBI
3'-hydroxybiochanin A(1−)ChEBI
5-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-on-7-olateChEBI
UniProt Name  Source
pratenseinUniProt
Manual XrefsDatabases
CPD-3622MetaCyc