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CHEBI:193561 - (1'E,3'E)-5-(3,3-dimethyloxiran-2-yl)-3-methylhexa-1,3-dienyl-quinolinone B

ChEBI IDCHEBI:193561
ChEBI Name(1'E,3'E)-5-(3,3-dimethyloxiran-2-yl)-3-methylhexa-1,3-dienyl-quinolinone B
Stars
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC27H31NO6
Net Charge0
Average Mass465.546
Monoisotopic Mass465.21514
SMILESCOc1ccc([C@@]2(O)c3c(ccc(/C=C/C(C)=C/CC4OC4(C)C)c3O)NC(=O)[C@@H]2OC)cc1
InChIInChI=1S/C27H31NO6/c1-16(7-15-21-26(2,3)34-21)6-8-17-9-14-20-22(23(17)29)27(31,24(33-5)25(30)28-20)18-10-12-19(32-4)13-11-18/h6-14,21,24,29,31H,15H2,1-5H3,(H,28,30)/b8-6+,16-7+/t21?,24-,27+/m0/s1
InChIKeyBJXAHPRMTWSZRG-MKGCGASNSA-N
ChEBI Ontology
Outgoing Relation(s)
(1'E,3'E)-5-(3,3-dimethyloxiran-2-yl)-3-methylhexa-1,3-dienyl-quinolinone B (CHEBI:193561) is a quinolone (CHEBI:23765)
UniProt Name  Source
(1'E,3'E)-5-(3,3-dimethyloxiran-2-yl)-3-methylhexa-1,3-dienyl-quinolinone BUniProt
Manual XrefsDatabases
CPD-25943MetaCyc
Citations