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CHEBI:107826 - 2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxy]acetic acid propan-2-yl ester

Default Structure
ChEBI IDCHEBI:107826
ChEBI Name2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxy]acetic acid propan-2-yl ester
Stars
Last Modified9 March 2018
DownloadsMolfile
FormulaC19H22O5
Net Charge0
Average Mass330.380
Monoisotopic Mass330.14672
SMILESCc1cc(OCC(=O)OC(C)C)c2c3c(c(=O)oc2c1)CCCC3
InChIInChI=1S/C19H22O5/c1-11(2)23-17(20)10-22-15-8-12(3)9-16-18(15)13-6-4-5-7-14(13)19(21)24-16/h8-9,11H,4-7,10H2,1-3H3
InChIKeyBEDXARYXRBYZRP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxy]acetic acid propan-2-yl ester (CHEBI:107826) is a coumarins (CHEBI:23403)
2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxy]acetic acid propan-2-yl ester (CHEBI:107826) is a isopropyl ester (CHEBI:35725)
Manual XrefsDatabases
LSM-19203LINCS