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CHEBI:176380 - [3-(2,5-dihydroxyphenyl)-3-oxo-1-phenylpropoxy]sulfonic acid

ChEBI IDCHEBI:176380
ChEBI Name[3-(2,5-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)c1cc(O)ccc1O
InChIInChI=1S/C15H14O7S/c16-11-6-7-13(17)12(8-11)14(18)9-15(22-23(19,20)21)10-4-2-1-3-5-10/h1-8,15-17H,9H2,(H,19,20,21)
InChIKeyKXURGVQDCDHTAF-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-(2,5-dihydroxyphenyl)-3-oxo-1-phenylpropoxy]sulfonic acid (CHEBI:176380) is a chalcones (CHEBI:23086)
IUPAC Name 
[3-(2,5-dihydroxyphenyl)-3-oxo-1-phenylpropyl] hydrogen sulate
Manual XrefsDatabases
HMDB0135370HMDB
74853809ChemSpider