caffeic acid 3-sulfate(2-)
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
mass
258.206
monoisotopicmass
257.98452
smiles
O(C=1C=C(/C=C/C([O-])=O)C=CC1O)S([O-])(=O)=O
class Relations
Subclass of
Related from
is conjugate acid of