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CHEBI:215041 - Aflaquinolone H

ChEBI IDCHEBI:215041
ChEBI NameAflaquinolone H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H29NO6
Net Charge0
Average Mass451.519
Monoisotopic Mass451.19949
SMILESCO[C@@H]1C(=O)Nc2ccc(/C=C/[C@]3(C)CCC(=O)[C@@](C)(O)C3)c(O)c2[C@@]1(O)c1ccccc1
InChIInChI=1S/C26H29NO6/c1-24(14-12-19(28)25(2,31)15-24)13-11-16-9-10-18-20(21(16)29)26(32,17-7-5-4-6-8-17)22(33-3)23(30)27-18/h4-11,13,22,29,31-32H,12,14-15H2,1-3H3,(H,27,30)/b13-11+/t22-,24-,25+,26+/m1/s1
InChIKeyOYOKDZBQGKJNKC-YKHZTBTGSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.phytol.2018.01.010)
ChEBI Ontology
Outgoing Relation(s)
Aflaquinolone H (CHEBI:215041) is a quinolines (CHEBI:26513)
IUPAC Name 
(3S,4S)-4,5-dihydroxy-6-[(E)-2-[(1R,3S)-3-hydroxy-1,3-dimethyl-4-oxocyclohexyl]ethenyl]-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one