EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:173471 - 1-Oxo-1H-2-benzopyran-3-carboxaldehyde

ChEBI IDCHEBI:173471
ChEBI Name1-Oxo-1H-2-benzopyran-3-carboxaldehyde
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H6O3
Net Charge0
Average Mass174.155
Monoisotopic Mass174.03169
SMILESO=Cc1cc2ccccc2c(=O)o1
InChIInChI=1S/C10H6O3/c11-6-8-5-7-3-1-2-4-9(7)10(12)13-8/h1-6H
InChIKeyALHVSADYXQWYJH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-Oxo-1H-2-benzopyran-3-carboxaldehyde (CHEBI:173471) is a isocoumarins (CHEBI:38758)
IUPAC Name 
1-oxoisochromene-3-carbaldehyde
Manual XrefsDatabases
27021040ChemSpider
HMDB0030577HMDB