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CHEBI:184775 - [3-(3,4-dihydroxyphenyl)-3-oxo-1-phenylpropoxy]sulfonic acid

ChEBI IDCHEBI:184775
ChEBI Name[3-(3,4-dihydroxyphenyl)-3-oxo-1-phenylpropoxy]sulfonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H14O7S
Net Charge0
Average Mass338.337
Monoisotopic Mass338.04602
SMILESO=C(CC(OS(=O)(=O)O)c1ccccc1)c1ccc(O)c(O)c1
InChIInChI=1S/C15H14O7S/c16-12-7-6-11(8-14(12)18)13(17)9-15(22-23(19,20)21)10-4-2-1-3-5-10/h1-8,15-16,18H,9H2,(H,19,20,21)
InChIKeyYSRYNIFOVNPRCS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
[3-(3,4-dihydroxyphenyl)-3-oxo-1-phenylpropoxy]sulfonic acid (CHEBI:184775) is a dihydrochalcones (CHEBI:71230)
IUPAC Name 
[3-(3,4-dihydroxyphenyl)-3-oxo-1-phenylpropyl] hydrogen sulate
Manual XrefsDatabases
HMDB0135434HMDB
74853833ChemSpider