3-(3-hydroxy-5-methoxyphenyl)propanoic acid (CHEBI:193358)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:193358 - 3-(3-hydroxy-5-methoxyphenyl)propanoic acid

Take structure to advanced search

ChEBI ID	CHEBI:193358
ChEBI Name	3-(3-hydroxy-5-methoxyphenyl)propanoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C10H12O4
Net Charge	0
Average Mass	196.202
Monoisotopic Mass	196.07356
SMILES	COc1cc(O)cc(CCC(=O)O)c1
InChI	InChI=1S/C10H12O4/c1-14-9-5-7(2-3-10(12)13)4-8(11)6-9/h4-6,11H,2-3H2,1H3,(H,12,13)
InChIKey	SFIFXVLZVMNCHU-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)
	3-(3-hydroxy-5-methoxyphenyl)propanoic acid (CHEBI:193358) is a benzenes (CHEBI:22712)
	3-(3-hydroxy-5-methoxyphenyl)propanoic acid (CHEBI:193358) is a monocarboxylic acid (CHEBI:25384)

IUPAC Name
3-(3-hydroxy-5-methoxyphenyl)propanoic acid

Manual Xrefs	Databases
74851730	ChemSpider