3,5-dimethoxybenzoic acid (CHEBI:142601)

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ChEBI Name	3,5-dimethoxybenzoic acid

ChEBI ID	CHEBI:142601

Definition	A methoxybenzoic acid that is benzoic acid which is substituted by methoxy groups at positions 3 and 5.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C9H10O4

Net Charge

Average Mass

182.174

Monoisotopic Mass

182.05791

InChI

InChI=1S/C9H10O4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H,10,11)

InChIKey

IWPZKOJSYQZABD-UHFFFAOYSA-N

SMILES

C(C1=CC(=CC(=C1)OC)OC)(=O)O

Metabolite of Species	Details
Calophyllum polyanthum (NCBI:txid1679397)	Found in seed (BTO:0001226). See: PubMed
Caragana conferta (NCBI:txid626677)	Found in whole plant (BTO:0001461). See: PubMed

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

Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology
Outgoing	3,5-dimethoxybenzoic acid (CHEBI:142601) has role plant metabolite (CHEBI:76924) 3,5-dimethoxybenzoic acid (CHEBI:142601) is a methoxybenzoic acid (CHEBI:25238) 3,5-dimethoxybenzoic acid (CHEBI:142601) is conjugate acid of 3,5-dimethoxybenzoate (CHEBI:142602)

Incoming	β-hibitakanine (CHEBI:142524) has functional parent 3,5-dimethoxybenzoic acid (CHEBI:142601) 3,5-dimethoxybenzoate (CHEBI:142602) is conjugate base of 3,5-dimethoxybenzoic acid (CHEBI:142601)

Last Modified

16 November 2018