Ketcher 03062011432D 1   1.00000     0.00000     0

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  3  4  1  0     0  0
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  4  6  1  0     0  0
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  2 22  1  6     0  0
  4 23  1  1     0  0
M  END
> <ID>
CHEBI:5853

> <NAME>
ibogamine

> <DEFINITION>
A monoterpenoid indole alkaloid with formula C19H24N2. It is isolated from the flowering plant genus, Tabernaemontana and exhibits anti-addictive properties.

> <STAR>
3

> <SYNONYM>
ibogamine; (-)-ibogamine

> <IUPAC_NAME>
ibogamine

> <FORMULA>
C19H24N2

> <MASS>
280.415

> <MONOISOTOPIC_MASS>
280.19395

> <CHARGE>
0

> <SMILES>
[C@H]12[C@@]3([C@H](C[C@](C1)(CN3CCC=4C5=C(C=CC=C5)NC42)[H])CC)[H]

> <INCHI>
InChI=1S/C19H24N2/c1-2-13-9-12-10-16-18-15(7-8-21(11-12)19(13)16)14-5-3-4-6-17(14)20-18/h3-6,12-13,16,19-20H,2,7-11H2,1H3/t12-,13+,16+,19+/m1/s1

> <INCHIKEY>
LRLCVRYKAFDXKU-YGOSVGOTSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
5753131

> <CAS_REGISTRY_NUMBER>
481-87-8

> <CHEMIDPLUS>
481-87-8

> <KEGG_COMPOUND_ACCESSION>
C09215

> <KNAPSACK_ACCESSION>
C00001742

> <WIKIPEDIA_ACCESSION>
Ibogamine

> <PUBMED_CITATION>
10930287; 15911323; 16959135; 17879729; 18797794; 23919354; 25633249; 26022277; 30599414; 30618175; 31095891; 621649

$$$$