EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:112692 - 2-[(2-ethyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-3-yl)oxy]acetic acid methyl ester

ChEBI IDCHEBI:112692
ChEBI Name2-[(2-ethyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-3-yl)oxy]acetic acid methyl ester
Stars
DownloadsMolfile
FormulaC18H20O5
Net Charge0
Average Mass316.353
Monoisotopic Mass316.13107
SMILESCCc1cc2c3c(c(=O)oc2cc1OCC(=O)OC)CCCC3
InChIInChI=1S/C18H20O5/c1-3-11-8-14-12-6-4-5-7-13(12)18(20)23-16(14)9-15(11)22-10-17(19)21-2/h8-9H,3-7,10H2,1-2H3
InChIKeyDBNAWMAKYUQELH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2-ethyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-3-yl)oxy]acetic acid methyl ester (CHEBI:112692) is a coumarins (CHEBI:23403)
Manual XrefsDatabases
LSM-24102LINCS