Methyl 2-(4,5-dihydroxy-6-methoxy-3,6-dimethyl-2-oxocyclohex-3-en-1-yl)oxy-4-hydroxy-3,6-dimethylbenzoate (CHEBI:181027)

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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	Methyl 2-(4,5-dihydroxy-6-methoxy-3,6-dimethyl-2-oxocyclohex-3-en-1-yl)oxy-4-hydroxy-3,6-dimethylbenzoate

ChEBI ID	CHEBI:181027

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H24O8

Net Charge

Average Mass

380.393

Monoisotopic Mass

380.14712

InChI

InChI=1S/C19H24O8/c1-8-7-11(20)9(2)15(12(8)18(24)25-5)27-17-14(22)10(3)13(21)16(23)19(17,4)26-6/h7,16-17,20-21,23H,1-6H3

InChIKey

GJGRGJCMJUMZKN-UHFFFAOYSA-N

SMILES

O(C1(C(OC=2C(=C(O)C=C(C2C(OC)=O)C)C)C(=O)C(=C(O)C1O)C)C)C

ChEBI Ontology
Outgoing	Methyl 2-(4,5-dihydroxy-6-methoxy-3,6-dimethyl-2-oxocyclohex-3-en-1-yl)oxy-4-hydroxy-3,6-dimethylbenzoate (CHEBI:181027) is a 4-hydroxybenzoate ester (CHEBI:79323)

IUPAC Name

methyl 2-(4,5-dihydroxy-6-methoxy-3,6-dimethyl-2-oxocyclohex-3-en-1-yl)oxy-4-hydroxy-3,6-dimethylbenzoate