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CHEBI:182094 - Isopropylidenylacetyl-marmesin

ChEBI IDCHEBI:182094
ChEBI NameIsopropylidenylacetyl-marmesin
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SubmitterMetaboLights
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FormulaC19H20O5
Net Charge0
Average Mass328.364
Monoisotopic Mass328.13107
SMILESCC(C)=CC(=O)OC(C)(C)C1Cc2cc3ccc(=O)oc3cc2O1
InChIInChI=1S/C19H20O5/c1-11(2)7-18(21)24-19(3,4)16-9-13-8-12-5-6-17(20)23-14(12)10-15(13)22-16/h5-8,10,16H,9H2,1-4H3
InChIKeyPQCLZBCFLJVBGA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Isopropylidenylacetyl-marmesin (CHEBI:182094) is a psoralens (CHEBI:26369)
IUPAC Name 
2-(7-oxo-2,3-dihydrouro[3,2-g]chromen-2-yl)propan-2-yl 3-methylbut-2-enoate
Manual XrefsDatabases
3476991ChemSpider