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CHEBI:196360 - Isopsoralidin

ChEBI IDCHEBI:196360
ChEBI NameIsopsoralidin
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FormulaC20H16O5
Net Charge0
Average Mass336.343
Monoisotopic Mass336.09977
SMILESCC1(C)CCc2cc3c(cc2O1)oc(=O)c1c2ccc(O)cc2oc31
InChIInChI=1S/C20H16O5/c1-20(2)6-5-10-7-13-16(9-14(10)25-20)24-19(22)17-12-4-3-11(21)8-15(12)23-18(13)17/h3-4,7-9,21H,5-6H2,1-2H3
InChIKeyJWCDJOWFOVBBCP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Isopsoralidin (CHEBI:196360) is a coumestans (CHEBI:72577)
IUPAC Name 
6-hydroxy-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4(9),5,7,14,20-heptaen-11-one
Manual XrefsDatabases
LMPK12090014LIPID MAPS
22235080ChemSpider