OntologieschebiclassesCHEBI:133740   
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caffeic acid 3-sulfate(2-)
http://purl.obolibrary.org/obo/CHEBI_133740

A phenyl sulfate oxoanion obtained by deprotonation of the sulfo and carboxy groups of caffeic acid 3-sulfate; major species at pH 7.3.

Also appears inslm
Exact Synonyms
(2E)-3-[4-hydroxy-3-(sulfonatooxy)phenyl]prop-2-enoate
Related Synonyms
caffeate sulfate(2-)
caffeic acid sulfate
class Information
charge

-2

formula

C9H6O7S

has_obo_namespace

chebi_ontology

inchi

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

inchikey

VWQNTRNACRFUCQ-DUXPYHPUSA-L

in_subset

3_STAR

mass

258.206

monoisotopicmass

257.98452

smiles

O(C=1C=C(/C=C/C([O-])=O)C=CC1O)S([O-])(=O)=O

class Relations