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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	3,4-dihydro-6-methoxy-8-hydroxy-3,4,5-trimethyl-isocoumarin-7-carboxylic acid methyl ester

ChEBI ID	CHEBI:204982

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H18O6

Net Charge

Average Mass

294.303

Monoisotopic Mass

294.11034

InChI

InChI=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

InChIKey

ZBHZUHLBPGCZPP-UHFFFAOYSA-N

SMILES

O=C1OC(C(C)C=2C1=C(O)C(=C(OC)C2C)C(=O)OC)C

Roles Classification
Application(s):	endocrine disruptor Any compound that can disrupt the functions of the endocrine (hormone) system (via phthalate ester )

ChEBI Ontology
Outgoing	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