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CHEBI:202234 - Aflaquinolone C

ChEBI IDCHEBI:202234
ChEBI NameAflaquinolone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H29NO5
Net Charge0
Average Mass435.520
Monoisotopic Mass435.20457
SMILESCO[C@@H]1C(=O)Nc2ccc(/C=C/[C@@]3(C)CCC(=O)[C@H](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-JWMJNCAXSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (22295903)
ChEBI Ontology
Outgoing Relation(s)
Aflaquinolone C (CHEBI:202234) is a quinolines (CHEBI:26513)
IUPAC Name 
(3S,4S)-6-[(E)-2-[(1S,3R)-1,3-dimethyl-4-oxocyclohexyl]ethenyl]-4,5-dihydroxy-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
Manual XrefsDatabases
28502287ChemSpider