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CHEBI:230883 - Desacetyllevonantradol

ChEBI IDCHEBI:230883
ChEBI NameDesacetyllevonantradol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H33NO3
Net Charge0
Average Mass395.543
Monoisotopic Mass395.24604
SMILESC[C@H](CCCc1ccccc1)Oc1cc(O)c2c(c1)N[C@@H](C)[C@@H]1CC[C@@H](O)C[C@@H]21
InChIInChI=1S/C25H33NO3/c1-16(7-6-10-18-8-4-3-5-9-18)29-20-14-23-25(24(28)15-20)22-13-19(27)11-12-21(22)17(2)26-23/h3-5,8-9,14-17,19,21-22,26-28H,6-7,10-13H2,1-2H3/t16-,17+,19-,21+,22-/m1/s1
InChIKeyYPYQDMBJZJZFQL-LLZYVPLJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Desacetyllevonantradol (CHEBI:230883) is a phenanthridines (CHEBI:51245)
IUPAC Name 
(6S,6aR,9R,10aR)-6-methyl-3-[(2R)-5-phenylpentan-2-yl]oxy-5,6,6a,7,8,9,10,10a-octahydrophenanthridine-1,9-diol
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