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CHEBI:204982 - 3,4-dihydro-6-methoxy-8-hydroxy-3,4,5-trimethyl-isocoumarin-7-carboxylic acid methyl ester

ChEBI IDCHEBI:204982
ChEBI Name3,4-dihydro-6-methoxy-8-hydroxy-3,4,5-trimethyl-isocoumarin-7-carboxylic acid methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O6
Net Charge0
Average Mass294.303
Monoisotopic Mass294.11034
SMILESCOC(=O)c1c(O)c2c(c(C)c1OC)C(C)C(C)OC2=O
InChIInChI=1S/C15H18O6/c1-6-8(3)21-15(18)10-9(6)7(2)13(19-4)11(12(10)16)14(17)20-5/h6,8,16H,1-5H3
InChIKeyZBHZUHLBPGCZPP-UHFFFAOYSA-N
Roles Classification
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
3,4-dihydro-6-methoxy-8-hydroxy-3,4,5-trimethyl-isocoumarin-7-carboxylic acid methyl ester (CHEBI:204982) is a phthalate ester (CHEBI:35484)
IUPAC Name 
methyl 8-hydroxy-6-methoxy-3,4,5-trimethyl-1-oxo-3,4-dihydroisochromene-7-carboxylate
Manual XrefsDatabases
26949186ChemSpider