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CHEBI:166654 - 3-Hydroxycinnamate sulfate

ChEBI IDCHEBI:166654
ChEBI Name3-Hydroxycinnamate sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H8O6S
Net Charge0
Average Mass244.224
Monoisotopic Mass244.00416
SMILESO=C(O)/C=C/c1cccc(OS(=O)(=O)O)c1
InChIInChI=1S/C9H8O6S/c10-9(11)5-4-7-2-1-3-8(6-7)15-16(12,13)14/h1-6H,(H,10,11)(H,12,13,14)/b5-4+
InChIKeyYPXHXDXMTWPQTO-SNAWJCMRSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-Hydroxycinnamate sulfate (CHEBI:166654) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
(E)-3-(3-sulooxyphenyl)prop-2-enoic acid
Manual XrefsDatabases
4947175ChemSpider
HMDB0124975HMDB
Registry NumbersSources
CAS:86321-30-4ChemIDplus