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CHEBI:175943 - Cycloneomammein

ChEBI IDCHEBI:175943
ChEBI NameCycloneomammein
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FormulaC22H28O6
Net Charge0
Average Mass388.460
Monoisotopic Mass388.18859
SMILESCCCc1cc(=O)oc2c(C(=O)C(C)CC)c(O)c3c(c12)OC(C(C)(C)O)C3
InChIInChI=1S/C22H28O6/c1-6-8-12-9-15(23)28-21-16(12)20-13(10-14(27-20)22(4,5)26)19(25)17(21)18(24)11(3)7-2/h9,11,14,25-26H,6-8,10H2,1-5H3
InChIKeyYVCSPVUIXKMOLW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Cycloneomammein (CHEBI:175943) is a furanocoumarin (CHEBI:24128)
IUPAC Name 
4-hydroxy-2-(2-hydroxypropan-2-yl)-5-(2-methylbutanoyl)-9-propyl-2,3-dihydrouro[2,3-]chromen-7-one
Manual XrefsDatabases
HMDB0030714HMDB
35013258ChemSpider