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CHEBI:215426 - Pesimquinolone A

ChEBI IDCHEBI:215426
ChEBI NamePesimquinolone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33NO6
Net Charge0
Average Mass467.562
Monoisotopic Mass467.23079
SMILESCOc1ccc([C@]2(O)c3c(ccc([C@H]4C=C(C)CC[C@H]4C(C)(C)O)c3O)NC(=O)[C@H]2OC)cc1
InChIInChI=1S/C27H33NO6/c1-15-6-12-20(26(2,3)31)19(14-15)18-11-13-21-22(23(18)29)27(32,24(34-5)25(30)28-21)16-7-9-17(33-4)10-8-16/h7-11,13-14,19-20,24,29,31-32H,6,12H2,1-5H3,(H,28,30)/t19-,20-,24-,27+/m1/s1
InChIKeyLMIANMQWDJKADE-CEXUERNISA-N
Species of MetaboliteComponentSourceComments
Penicillium simplicissimum (ncbitaxon:69488) - PubMed (32222549)
ChEBI Ontology
Outgoing Relation(s)
Pesimquinolone A (CHEBI:215426) is a quinolines (CHEBI:26513)
IUPAC Name 
(3S,4S)-4,5-dihydroxy-6-[(1S,6R)-6-(2-hydroxypropan-2-yl)-3-methylcyclohex-2-en-1-yl]-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one