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CHEBI:215448 - Pesimquinolone E

ChEBI IDCHEBI:215448
ChEBI NamePesimquinolone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H31NO5
Net Charge0
Average Mass449.547
Monoisotopic Mass449.22022
SMILESC=C(C)[C@H]1CCC(C)=C[C@H]1c1ccc2c(c1O)[C@@](O)(c1ccc(OC)cc1)[C@H](OC)C(=O)N2
InChIInChI=1S/C27H31NO5/c1-15(2)19-11-6-16(3)14-21(19)20-12-13-22-23(24(20)29)27(31,25(33-5)26(30)28-22)17-7-9-18(32-4)10-8-17/h7-10,12-14,19,21,25,29,31H,1,6,11H2,2-5H3,(H,28,30)/t19-,21-,25-,27+/m1/s1
InChIKeyCHPXZUPXHVOEDT-HXMVMFLPSA-N
Species of MetaboliteComponentSourceComments
Penicillium simplicissimum (ncbitaxon:69488) - PubMed (32222549)
ChEBI Ontology
Outgoing Relation(s)
Pesimquinolone E (CHEBI:215448) is a quinolines (CHEBI:26513)
IUPAC Name 
(3S,4S)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-6-[(1R,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-1,3-dihydroquinolin-2-one