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CHEBI:196315 - Chalepin acetate

ChEBI IDCHEBI:196315
ChEBI NameChalepin acetate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O5
Net Charge0
Average Mass356.418
Monoisotopic Mass356.16237
SMILESC=CC(C)(C)c1cc2cc3c(cc2oc1=O)OC(C(C)(C)OC(C)=O)C3
InChIInChI=1S/C21H24O5/c1-7-20(3,4)15-9-13-8-14-10-18(21(5,6)26-12(2)22)24-16(14)11-17(13)25-19(15)23/h7-9,11,18H,1,10H2,2-6H3
InChIKeyAWMHMGFGCLBSAY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Chalepin acetate (CHEBI:196315) is a psoralens (CHEBI:26369)
IUPAC Name 
2-[6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrouro[3,2-g]chromen-2-yl]propan-2-yl acetate
Manual XrefsDatabases
25094ChemSpider
HMDB0030666HMDB