EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:116254 - 2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-2-yl)oxy]acetic acid ethyl ester

ChEBI IDCHEBI:116254
ChEBI Name2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-2-yl)oxy]acetic acid ethyl ester
Stars
DownloadsMolfile
FormulaC18H20O5
Net Charge0
Average Mass316.353
Monoisotopic Mass316.13107
SMILESCCOC(=O)COc1cc2c3c(c(=O)oc2cc1C)CCCC3
InChIInChI=1S/C18H20O5/c1-3-21-17(19)10-22-15-9-14-12-6-4-5-7-13(12)18(20)23-16(14)8-11(15)2/h8-9H,3-7,10H2,1-2H3
InChIKeyXKLZQYJZLXDQHE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-2-yl)oxy]acetic acid ethyl ester (CHEBI:116254) is a coumarins (CHEBI:23403)
Manual XrefsDatabases
LSM-27709LINCS