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CHEBI:215465 - Pesimquinolone H

ChEBI IDCHEBI:215465
ChEBI NamePesimquinolone H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H31NO6
Net Charge0
Average Mass465.546
Monoisotopic Mass465.21514
SMILESC=C(C)[C@H]1CC[C@](C)(/C=C/c2ccc3c(c2O)[C@@](O)(c2ccc(OC)cc2)[C@H](OC)C(=O)N3)O1
InChIInChI=1S/C27H31NO6/c1-16(2)21-13-15-26(3,34-21)14-12-17-6-11-20-22(23(17)29)27(31,24(33-5)25(30)28-20)18-7-9-19(32-4)10-8-18/h6-12,14,21,24,29,31H,1,13,15H2,2-5H3,(H,28,30)/b14-12+/t21-,24-,26+,27+/m1/s1
InChIKeyBNZZZUQOYBAEPR-ULTSNAPNSA-N
Species of MetaboliteComponentSourceComments
Penicillium simplicissimum (ncbitaxon:69488) - PubMed (32222549)
ChEBI Ontology
Outgoing Relation(s)
Pesimquinolone H (CHEBI:215465) is a quinolines (CHEBI:26513)
IUPAC Name 
(3S,4S)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-6-[(E)-2-[(2R,5R)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]ethenyl]-1,3-dihydroquinolin-2-one