4-hydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)benzoic acid (CHEBI:193480)

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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	4-hydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)benzoic acid

ChEBI ID	CHEBI:193480

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H16O4

Net Charge

Average Mass

236.267

Monoisotopic Mass

236.10486

InChI

InChI=1S/C13H16O4/c1-8(2)4-5-9-11(14)7-6-10(13(15)16)12(9)17-3/h4,6-7,14H,5H2,1-3H3,(H,15,16)

InChIKey

OIAKCSLYNXTJBI-UHFFFAOYSA-N

SMILES

O(C=1C(CC=C(C)C)=C(O)C=CC1C(O)=O)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in feces (BTO:0000440). See: MetaboLights Study

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	4-hydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)benzoic acid (CHEBI:193480) is a methoxybenzoic acid (CHEBI:25238)

IUPAC Name

4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)benzoic acid