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CHEBI:176376 - 3-(3,5-dihydroxyphenyl)-1-propanoic acid sulphate

ChEBI IDCHEBI:176376
ChEBI Name3-(3,5-dihydroxyphenyl)-1-propanoic acid sulphate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H10O7S
Net Charge0
Average Mass262.239
Monoisotopic Mass262.01472
SMILESO=C(CCc1cc(O)cc(O)c1)OS(=O)(=O)O
InChIInChI=1S/C9H10O7S/c10-7-3-6(4-8(11)5-7)1-2-9(12)16-17(13,14)15/h3-5,10-11H,1-2H2,(H,13,14,15)
InChIKeyIZEZNNYKKNVXNA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) blood plasma (BTO:0000131) MetaboLights (MTBLS2782) Strain: ICR Mouse [NCIT:C37408]
ChEBI Ontology
Outgoing Relation(s)
3-(3,5-dihydroxyphenyl)-1-propanoic acid sulphate (CHEBI:176376) is a resorcinols (CHEBI:33572)
IUPAC Name 
sulo 3-(3,5-dihydroxyphenyl)propanoate
Manual XrefsDatabases
HMDB0061117HMDB
30778628ChemSpider