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CHEBI:77858 - 4-hydroxycoumarin(1−)

ChEBI IDCHEBI:77858
ChEBI Name4-hydroxycoumarin(1−)
Stars
ASCII Name4-hydroxycoumarin(1-)
DefinitionAn organic anion that is the conjugate base of 4-hydroxycoumarin, obtained by deprotonation of the 4-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified23 June 2014
SubmitterAnne Morgat
DownloadsMolfile
FormulaC9H5O3
Net Charge-1
Average Mass161.136
Monoisotopic Mass161.02442
SMILESO=c1cc([O-])c2ccccc2o1
InChIInChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H/p-1
InChIKeyVXIXUWQIVKSKSA-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
4-hydroxycoumarin(1−) (CHEBI:77858) is a organic anion (CHEBI:25696)
4-hydroxycoumarin(1−) (CHEBI:77858) is conjugate base of 4-hydroxycoumarin (CHEBI:40070)
Incoming Relation(s)
4-hydroxycoumarin (CHEBI:40070) is conjugate acid of 4-hydroxycoumarin(1−) (CHEBI:77858)
IUPAC Name 
2-oxo-2H-chromen-4-olate
Synonym  Source
4-oxidocoumarin(1−)ChEBI
UniProt Name  Source
4-hydroxycoumarinUniProt
Manual XrefsDatabases
CPD-12111MetaCyc
Registry NumbersSources
Reaxys:4418505Reaxys