1-hydroxy-4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one (CHEBI:193349)

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CHEBI:193349 - 1-hydroxy-4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one

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ChEBI ID	CHEBI:193349
ChEBI Name	1-hydroxy-4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C11H12O4
Net Charge	0
Average Mass	208.213
Monoisotopic Mass	208.07356
SMILES	COc1cc(C=CC(=O)CO)ccc1O
InChI	InChI=1S/C11H12O4/c1-15-11-6-8(3-5-10(11)14)2-4-9(13)7-12/h2-6,12,14H,7H2,1H3
InChIKey	NPMHZTTYMXAUIV-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)
	1-hydroxy-4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one (CHEBI:193349) is a hydroxycinnamic acid (CHEBI:24689)

IUPAC Name
1-hydroxy-4-(4-hydroxy-3-methoxyphenyl)but-3-en-2-one

Manual Xrefs	Databases
74853314	ChemSpider