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CHEBI:203017 - Aflaquinolone D

ChEBI IDCHEBI:203017
ChEBI NameAflaquinolone D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H29NO5
Net Charge0
Average Mass435.520
Monoisotopic Mass435.20457
SMILESCO[C@@H]1C(=O)Nc2ccc(/C=C/C3(C)CCC(=O)C(C)C3)c(O)c2[C@@]1(O)c1ccccc1
InChIInChI=1S/C26H29NO5/c1-16-15-25(2,14-12-20(16)28)13-11-17-9-10-19-21(22(17)29)26(31,18-7-5-4-6-8-18)23(32-3)24(30)27-19/h4-11,13,16,23,29,31H,12,14-15H2,1-3H3,(H,27,30)/b13-11+/t16?,23-,25?,26+/m1/s1
InChIKeyQWVOGENNJWSIPL-KDWGAENASA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (22295903)
ChEBI Ontology
Outgoing Relation(s)
Aflaquinolone D (CHEBI:203017) is a quinolines (CHEBI:26513)
IUPAC Name 
(3S,4S)-6-[(E)-2-(1,3-dimethyl-4-oxocyclohexyl)ethenyl]-4,5-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
Manual XrefsDatabases
78440149ChemSpider