3-{4-hydroxy-3-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]phenyl}prop-2-enoic acid (CHEBI:193534)

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ChEBI Name	3-{4-hydroxy-3-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]phenyl}prop-2-enoic acid

ChEBI ID	CHEBI:193534

Stars	This entity has been manually annotated by a third party.

Submitter	Mark Williams

Supplier Information

Download	Molfile XML SDF

Formula

C14H16O4

Net Charge

Average Mass

248.278

Monoisotopic Mass

248.10486

InChI

InChI=1S/C14H16O4/c1-10(9-15)2-5-12-8-11(3-6-13(12)16)4-7-14(17)18/h2-4,6-8,15-16H,5,9H2,1H3,(H,17,18)/b7-4-,10-2+

InChIKey

WIONBNBDOOYIGS-PDJRALLUSA-N

SMILES

C\C(=C(\[H])/CC=1C=C(C=CC1O)\C(\[H])=C(\[H])/C(=O)O)\CO

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in feces (BTO:0000440). See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	3-{4-hydroxy-3-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]phenyl}prop-2-enoic acid (CHEBI:193534) is a hydroxycinnamic acid (CHEBI:24689)