EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:174411 - Citrusal

ChEBI IDCHEBI:174411
ChEBI NameCitrusal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16O4
Net Charge0
Average Mass260.289
Monoisotopic Mass260.10486
SMILESCOc1ccc2ccc(=O)oc2c1CC(C)(C)C=O
InChIInChI=1S/C15H16O4/c1-15(2,9-16)8-11-12(18-3)6-4-10-5-7-13(17)19-14(10)11/h4-7,9H,8H2,1-3H3
InChIKeyVCYVDHAWDPDCKW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Citrusal (CHEBI:174411) is a coumarins (CHEBI:23403)
IUPAC Name 
3-(7-methoxy-2-oxochromen-8-yl)-2,2-dimethylpropanal
Manual XrefsDatabases
HMDB0030788HMDB
4477732ChemSpider