3-(3-hydroxy-4,5-dimethoxyphenyl)prop-2-enoic acid (CHEBI:193400)

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CHEBI:193400 - 3-(3-hydroxy-4,5-dimethoxyphenyl)prop-2-enoic acid

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ChEBI ID	CHEBI:193400
ChEBI Name	3-(3-hydroxy-4,5-dimethoxyphenyl)prop-2-enoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C11H12O5
Net Charge	0
Average Mass	224.212
Monoisotopic Mass	224.06847
SMILES	COc1cc(C=CC(=O)O)cc(O)c1OC
InChI	InChI=1S/C11H12O5/c1-15-9-6-7(3-4-10(13)14)5-8(12)11(9)16-2/h3-6,12H,1-2H3,(H,13,14)
InChIKey	NDGIDRFOPAADDX-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-4,5-dimethoxyphenyl)prop-2-enoic acid (CHEBI:193400) is a hydroxycinnamic acid (CHEBI:24689)

IUPAC Name
3-(3-hydroxy-4,5-dimethoxyphenyl)prop-2-enoic acid

Manual Xrefs	Databases
26545978	ChemSpider