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CHEBI:176472 - Dihydrocaffeic acid 3-sulfate

ChEBI IDCHEBI:176472
ChEBI NameDihydrocaffeic acid 3-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H10O7S
Net Charge0
Average Mass262.239
Monoisotopic Mass262.01472
SMILESO=C(O)CCc1ccc(O)c(OS(=O)(=O)O)c1
InChIInChI=1S/C9H10O7S/c10-7-3-1-6(2-4-9(11)12)5-8(7)16-17(13,14)15/h1,3,5,10H,2,4H2,(H,11,12)(H,13,14,15)
InChIKeyMIMULQQHBAZGER-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS2295)
ChEBI Ontology
Outgoing Relation(s)
Dihydrocaffeic acid 3-sulfate (CHEBI:176472) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
3-(4-hydroxy-3-sulooxyphenyl)propanoic acid
Manual XrefsDatabases
HMDB0041721HMDB
30777619ChemSpider