Caffeic acid 4-O-sulfate (CHEBI:176485)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Caffeic acid 4-O-sulfate

ChEBI ID	CHEBI:176485

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H8O7S

Net Charge

Average Mass

260.220

Monoisotopic Mass

259.99907

InChI

InChI=1S/C9H8O7S/c10-7-5-6(2-4-9(11)12)1-3-8(7)16-17(13,14)15/h1-5,10H,(H,11,12)(H,13,14,15)/b4-2+

InChIKey

SNVAIAITQIIEMQ-DUXPYHPUSA-N

SMILES

S(OC1=C(O)C=C(C=C1)/C=C/C(O)=O)(O)(=O)=O

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). 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	Caffeic acid 4-O-sulfate (CHEBI:176485) is a hydroxycinnamic acid (CHEBI:24689)

IUPAC Name

(E)-3-(3-hydroxy-4-sulooxyphenyl)prop-2-enoic acid