5-(3',3'-dimethylallyloxy)-2-methoxycarbonyl-3-methoxy-4-methylbenzoic acid (CHEBI:218450)

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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	5-(3',3'-dimethylallyloxy)-2-methoxycarbonyl-3-methoxy-4-methylbenzoic acid

ChEBI ID	CHEBI:218450

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

Submitter	MetaboLights

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Download	Molfile XML SDF

Formula

C16H20O6

Net Charge

Average Mass

308.330

Monoisotopic Mass

308.12599

InChI

InChI=1S/C16H20O6/c1-9(2)6-7-22-12-8-11(15(17)18)13(16(19)21-5)14(20-4)10(12)3/h6,8H,7H2,1-5H3,(H,17,18)

InChIKey

JHZWDWULMWXMAU-UHFFFAOYSA-N

SMILES

O=C(OC)C1=C(OC)C(=C(OCC=C(C)C)C=C1C(=O)O)C

Metabolite of Species	Details
Pestalotiopsis photiniae (NCBI:txid289238)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	5-(3',3'-dimethylallyloxy)-2-methoxycarbonyl-3-methoxy-4-methylbenzoic acid (CHEBI:218450) is a methoxybenzoic acid (CHEBI:25238)

IUPAC Name

3-methoxy-2-methoxycarbonyl-4-methyl-5-(3-methylbut-2-enoxy)benzoic acid