Dihydrocaffeic acid 3-sulfate (CHEBI:176472)

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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	Dihydrocaffeic acid 3-sulfate

ChEBI ID	CHEBI:176472

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H10O7S

Net Charge

Average Mass

262.230

Monoisotopic Mass

262.01472

InChI

InChI=1S/C9H10O7S/c10-7-3-1-6(2-4-9(11)12)5-8(7)16-17(13,14)15/h1,3,5,10H,2,4H2,(H,11,12)(H,13,14,15)

InChIKey

MIMULQQHBAZGER-UHFFFAOYSA-N

SMILES

S(OC=1C=C(CCC(O)=O)C=CC1O)(O)(=O)=O

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: MetaboLights Study

ChEBI Ontology
Outgoing	Dihydrocaffeic acid 3-sulfate (CHEBI:176472) is a aryl sulfate (CHEBI:37919)

IUPAC Name

3-(4-hydroxy-3-sulooxyphenyl)propanoic acid