EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:17313 - 7,8-dihydroxycoumarin

Default Structure
ChEBI IDCHEBI:17313
ChEBI Name7,8-dihydroxycoumarin
Stars
Secondary ChEBI IDsCHEBI:2252, CHEBI:12246, CHEBI:20770
Last Modified13 November 2017
DownloadsMolfile
FormulaC9H6O4
Net Charge0
Average Mass178.143
Monoisotopic Mass178.02661
SMILESO=c1ccc2ccc(O)c(O)c2o1
InChIInChI=1S/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12H
InChIKeyATEFPOUAMCWAQS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
7,8-dihydroxycoumarin (CHEBI:17313) is a hydroxycoumarin (CHEBI:37912)
Incoming Relation(s)
7-hydroxy-8-methoxycoumarin (CHEBI:180544) has functional parent 7,8-dihydroxycoumarin (CHEBI:17313)
daphnin (CHEBI:17989) has functional parent 7,8-dihydroxycoumarin (CHEBI:17313)
IUPAC Name 
7,8-dihydroxy-2H-chromen-2-one
Synonyms  Source
7,8-Dihydroxy-2H-1-benzopyran-2-oneChemIDplus
7,8-DihydroxycoumarinKEGG COMPOUND
DaphnetinKEGG COMPOUND
DaphnetolChemIDplus
UniProt Name  Source
7,8-dihydroxycoumarinUniProt
Manual XrefsDatabases
C00002462KNApSAcK
C03093KEGG COMPOUND
C03093KEGG COMPOUND
LSM-3366LINCS
Registry NumbersSources
CAS:486-35-1KEGG COMPOUND