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CHEBI:211851 - Aniduquinolone B

ChEBI IDCHEBI:211851
ChEBI NameAniduquinolone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H31NO6
Net Charge0
Average Mass453.535
Monoisotopic Mass453.21514
SMILESCO[C@@H]1C(=O)Nc2ccc(/C=C/[C@@]3(C)CC[C@H](C(C)(C)O)O3)c(O)c2[C@@]1(O)c1ccccc1
InChIInChI=1S/C26H31NO6/c1-24(2,30)19-13-15-25(3,33-19)14-12-16-10-11-18-20(21(16)28)26(31,17-8-6-5-7-9-17)22(32-4)23(29)27-18/h5-12,14,19,22,28,30-31H,13,15H2,1-4H3,(H,27,29)/b14-12+/t19-,22-,25+,26+/m1/s1
InChIKeyCUQIZNHWRUCSHA-ZGJPEJMKSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (24099304)
ChEBI Ontology
Outgoing Relation(s)
Aniduquinolone B (CHEBI:211851) is a quinolines (CHEBI:26513)
IUPAC Name 
(3S,4S)-4,5-dihydroxy-6-[(E)-2-[(2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]ethenyl]-3-methoxy-4-phenyl-1,3-dihydroquinolin-2-one
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30771181ChemSpider