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CHEBI:193559 - penigequinolone A

ChEBI IDCHEBI:193559
ChEBI Namepenigequinolone A
Stars
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC27H33NO6
Net Charge0
Average Mass467.562
Monoisotopic Mass467.23079
SMILESCOc1ccc([C@@]2(O)c3c(ccc(/C=C/[C@]4(C)CCC(C)(C)CO4)c3O)NC(=O)[C@@H]2OC)cc1
InChIInChI=1S/C27H33NO6/c1-25(2)14-15-26(3,34-16-25)13-12-17-6-11-20-21(22(17)29)27(31,23(33-5)24(30)28-20)18-7-9-19(32-4)10-8-18/h6-13,23,29,31H,14-16H2,1-5H3,(H,28,30)/b13-12+/t23-,26+,27+/m0/s1
InChIKeyCVWJKBJRSZXDIW-WIAMJCSFSA-N
ChEBI Ontology
Outgoing Relation(s)
penigequinolone A (CHEBI:193559) is a quinolone (CHEBI:23765)
UniProt Name  Source
penigequinolone AUniProt
Manual XrefsDatabases
CPD-25958MetaCyc
Registry NumbersSources
CAS:180045-91-4SUBMITTER