3,5-Dimethyl-4-methoxybenzoic acid (CHEBI:228339)

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CHEBI:228339 - 3,5-Dimethyl-4-methoxybenzoic acid

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ChEBI ID	CHEBI:228339
ChEBI Name	3,5-Dimethyl-4-methoxybenzoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C10H12O3
Net Charge	0
Average Mass	180.203
Monoisotopic Mass	180.07864
SMILES	COc1c(C)cc(C(=O)O)cc1C
InChI	InChI=1S/C10H12O3/c1-6-4-8(10(11)12)5-7(2)9(6)13-3/h4-5H,1-3H3,(H,11,12)
InChIKey	WXVQURJGDUNJCS-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Zea mays (ncbitaxon:4577)	exometabolome	MetaboLights (MTBLS8903)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	3,5-Dimethyl-4-methoxybenzoic acid (CHEBI:228339) is a methoxybenzoic acid (CHEBI:25238)

IUPAC Name
4-methoxy-3,5-dimethylbenzoic acid

Manual Xrefs	Databases
80256	ChemSpider