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CHEBI:229825 - sinapic acid 4-o-sulfate

ChEBI IDCHEBI:229825
ChEBI Namesinapic acid 4-o-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12O8S
Net Charge0
Average Mass304.276
Monoisotopic Mass304.02529
SMILESCOc1cc(/C=C/C(=O)O)cc(OC)c1OS(=O)(=O)O
InChIInChI=1S/C11H12O8S/c1-17-8-5-7(3-4-10(12)13)6-9(18-2)11(8)19-20(14,15)16/h3-6H,1-2H3,(H,12,13)(H,14,15,16)/b4-3+
InChIKeyKJWQVTFGBFEXMV-ONEGZZNKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
sinapic acid 4-o-sulfate (CHEBI:229825) is a hydroxycinnamic acid (CHEBI:24689)
IUPAC Name 
(E)-3-(3,5-dimethoxy-4-sulooxyphenyl)prop-2-enoic acid
Manual XrefsDatabases
28554517ChemSpider
HMDB0060020HMDB