EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:112423 - 3-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)propanoic acid

ChEBI IDCHEBI:112423
ChEBI Name3-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)propanoic acid
Stars
DownloadsMolfile
FormulaC16H14O5
Net Charge0
Average Mass286.283
Monoisotopic Mass286.08412
SMILESCc1coc2cc3oc(=O)c(CCC(=O)O)c(C)c3cc12
InChIInChI=1S/C16H14O5/c1-8-7-20-13-6-14-12(5-11(8)13)9(2)10(16(19)21-14)3-4-15(17)18/h5-7H,3-4H2,1-2H3,(H,17,18)
InChIKeyGPVASUMRUOWISE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)propanoic acid (CHEBI:112423) is a psoralens (CHEBI:26369)
Manual XrefsDatabases
LSM-23835LINCS