CHEBI:204492 - Aflaquinolone B

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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 B
ChEBI ID CHEBI:204492
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H31NO5
Net Charge 0
Average Mass 437.536
Monoisotopic Mass 437.22022
InChI InChI=1S/C26H31NO5/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/h4-11,13,16,20,23,28-29,31H,12,14-15H2,1-3H3,(H,27,30)/b13-11+/t16-,20+,23+,25+,26-/m0/s1
InChIKey VHCOEFMALBJZLE-AXOBRITRSA-N
SMILES O=C1NC2=C(C(O)=C(/C=C/[C@]3(C[C@@H]([C@H](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 B (CHEBI:204492) is a quinolines (CHEBI:26513)
IUPAC Name
(3S,4S)-4,5-dihydroxy-6-[(E)-2-[(1R,3S,4R)-4-hydroxy-1,3-dimethylcyclohexyl]ethenyl]-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
Manual Xref Database
28502286 ChemSpider
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