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M  END
> <ID>
CHEBI:2909

> <NAME>
atisine

> <DEFINITION>
A organic heterohexacyclic compound and diterpene alkaloid isolated from Aconitum anthora. In solution, it is a 2:1 mixture of readily interconvertible epimers at position 20 (the carbon attached to both the nitrogen and an oxygen atom).

> <STAR>
3

> <SYNONYM>
Atisine; Anthorine

> <IUPAC_NAME>
atisine

> <FORMULA>
C22H33NO2

> <MASS>
343.504

> <MONOISOTOPIC_MASS>
343.25113

> <CHARGE>
0

> <SMILES>
C1CC[C@]2(CN3CCOC3([C@]41[C@]5([C@@]6(CC[C@@]42[H])CC[C@@H](C5)C([C@H]6O)=C)[H])[H])C

> <INCHI>
InChI=1S/C22H33NO2/c1-14-15-4-8-21(18(14)24)9-5-16-20(2)6-3-7-22(16,17(21)12-15)19-23(13-20)10-11-25-19/h15-19,24H,1,3-13H2,2H3/t15-,16+,17+,18+,19?,20-,21-,22-/m0/s1

> <INCHIKEY>
KWVIBDAKHDJCNY-LHCLZMBSSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1085811

> <CAS_REGISTRY_NUMBER>
466-43-3

> <REAXYS_REGISTRY_NUMBER>
1085811

> <CHEMIDPLUS>
466-43-3

> <KEGG_COMPOUND_ACCESSION>
C08660

> <KNAPSACK_ACCESSION>
C00001616

> <PUBMED_CITATION>
22193953; 25004408; 25153874; 25159015; 25239552

$$$$