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

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

Take structure to advanced search

ChEBI ID	CHEBI:193480
ChEBI Name	4-hydroxy-2-methoxy-3-(3-methylbut-2-en-1-yl)benzoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C13H16O4
Net Charge	0
Average Mass	236.267
Monoisotopic Mass	236.10486
SMILES	COc1c(C(=O)O)ccc(O)c1CC=C(C)C
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

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	feces (BTO:0000440)	MetaboLights (MTBLS5335)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	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

Manual Xrefs	Databases
74851535	ChemSpider