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CHEBI:220727 - Scopuquinolone B

ChEBI IDCHEBI:220727
ChEBI NameScopuquinolone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H31NO5
Net Charge0
Average Mass437.536
Monoisotopic Mass437.22022
SMILESCO[C@@H]1C(=O)Nc2ccc(/C=C/[C@]3(C)CC[C@H](O)[C@@H](C)C3)c(O)c2[C@@]1(O)c1ccccc1
InChIInChI=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
InChIKeyVHCOEFMALBJZLE-JTYNPPSSSA-N
Species of MetaboliteComponentSourceComments
Scopulariopsisspecies (ncbitaxon:2006378) - PubMed (28783962)
ChEBI Ontology
Outgoing Relation(s)
Scopuquinolone B (CHEBI:220727) is a quinolines (CHEBI:26513)
IUPAC Name 
(3S,4S)-4,5-dihydroxy-6-[(E)-2-[(1R,3S,4S)-4-hydroxy-1,3-dimethylcyclohexyl]ethenyl]-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
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