CHEBI:203017 - Aflaquinolone D

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Aflaquinolone D
ChEBI ID CHEBI:203017
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H29NO5
Net Charge 0
Average Mass 435.520
Monoisotopic Mass 435.20457
InChI InChI=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
InChIKey QWVOGENNJWSIPL-KDWGAENASA-N
SMILES O=C1NC2=C(C(O)=C(/C=C/C3(CC(C(=O)CC3)C)C)C=C2)[C@@]([C@@H]1OC)(O)C4=CC=CC=C4
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78440149 ChemSpider
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