Isoferulic acid 3-sulfate (CHEBI:179839)

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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	Isoferulic acid 3-sulfate

ChEBI ID	CHEBI:179839

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H10O7S

Net Charge

Average Mass

274.240

Monoisotopic Mass

274.01472

InChI

InChI=1S/C10H10O7S/c1-16-8-4-2-7(3-5-10(11)12)6-9(8)17-18(13,14)15/h2-6H,1H3,(H,11,12)(H,13,14,15)/b5-3+

InChIKey

DCMKMHVTKFJMAU-HWKANZROSA-N

SMILES

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

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	Isoferulic acid 3-sulfate (CHEBI:179839) is a hydroxycinnamic acid (CHEBI:24689)

IUPAC Name

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