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CHEBI:169369 - Suprofen S-oxide

ChEBI IDCHEBI:169369
ChEBI NameSuprofen S-oxide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H12O4S
Net Charge0
Average Mass276.313
Monoisotopic Mass276.04563
SMILESCC(C(=O)O)c1ccc(C(=O)C2=CC=CS2=O)cc1
InChIInChI=1S/C14H12O4S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-19(12)18/h2-9H,1H3,(H,16,17)
InChIKeyBBVYLLCHKPXDCK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Suprofen S-oxide (CHEBI:169369) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
2-[4-(1-oxothiophene-2-carbonyl)phenyl]propanoic acid
Manual XrefsDatabases
35031820ChemSpider
HMDB0060924HMDB