(2E)-3-(3,4,5-trihydroxyphenyl)prop-2-enoic acid (CHEBI:229990)

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CHEBI:229990 - (2E)-3-(3,4,5-trihydroxyphenyl)prop-2-enoic acid

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ChEBI ID	CHEBI:229990
ChEBI Name	(2E)-3-(3,4,5-trihydroxyphenyl)prop-2-enoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C9H8O5
Net Charge	0
Average Mass	196.158
Monoisotopic Mass	196.03717
SMILES	O=C(O)/C=C/c1cc(O)c(O)c(O)c1
InChI	InChI=1S/C9H8O5/c10-6-3-5(1-2-8(12)13)4-7(11)9(6)14/h1-4,10-11,14H,(H,12,13)/b2-1+
InChIKey	ACEAELOMUCBPJP-OWOJBTEDSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	feces (BTO:0000440)	MetaboLights (MTBLS9087)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	(2E)-3-(3,4,5-trihydroxyphenyl)prop-2-enoic acid (CHEBI:229990) is a hydroxycinnamic acid (CHEBI:24689)

IUPAC Name
(E)-3-(3,4,5-trihydroxyphenyl)prop-2-enoic acid

Manual Xrefs	Databases
4530451	ChemSpider