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CHEBI:175695 - Wampetin

ChEBI IDCHEBI:175695
ChEBI NameWampetin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18O6
Net Charge0
Average Mass366.369
Monoisotopic Mass366.11034
SMILESCC1=CC(C/C(C)=C\COc2c3occc3cc3ccc(=O)oc23)OC1=O
InChIInChI=1S/C21H18O6/c1-12(9-16-10-13(2)21(23)26-16)5-7-25-20-18-15(6-8-24-18)11-14-3-4-17(22)27-19(14)20/h3-6,8,10-11,16H,7,9H2,1-2H3/b12-5-
InChIKeyXVVBVBKVMMNZHB-XGICHPGQSA-N
ChEBI Ontology
Outgoing Relation(s)
Wampetin (CHEBI:175695) is a psoralens (CHEBI:26369)
IUPAC Name 
9-[(Z)-3-methyl-4-(4-methyl-5-oxo-2H-uran-2-yl)but-2-enoxy]uro[3,2-g]chromen-7-one
Manual XrefsDatabases
4525091ChemSpider
HMDB0030080HMDB