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CHEBI:176485 - Caffeic acid 4-O-sulfate

ChEBI IDCHEBI:176485
ChEBI NameCaffeic acid 4-O-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H8O7S
Net Charge0
Average Mass260.223
Monoisotopic Mass259.99907
SMILESO=C(O)/C=C/c1ccc(OS(=O)(=O)O)c(O)c1
InChIInChI=1S/C9H8O7S/c10-7-5-6(2-4-9(11)12)1-3-8(7)16-17(13,14)15/h1-5,10H,(H,11,12)(H,13,14,15)/b4-2+
InChIKeySNVAIAITQIIEMQ-DUXPYHPUSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS2295)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Caffeic acid 4-O-sulfate (CHEBI:176485) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
(E)-3-(3-hydroxy-4-sulooxyphenyl)prop-2-enoic acid
Manual XrefsDatabases
30777608ChemSpider
HMDB0041708HMDB