ISISHOST03240423242D 1   1.00000     0.00000  8921

 21 24  0     1  0            999 V2000
   12.0466   -8.2911    0.0000 C   0  0  2  0  0  0           0  0  0
   11.2174   -7.9469    0.0000 C   0  0  2  0  0  0           0  0  0
   12.5395   -7.6951    0.0000 C   0  0  0  0  0  0           0  0  0
   12.5342   -8.9544    0.0000 C   0  0  0  0  0  0           0  0  0
   12.8297   -8.3293    0.0000 C   0  0  0  0  0  0           0  0  0
   11.3415   -7.0978    0.0000 C   0  0  2  0  0  0           0  0  0
   10.3991   -8.2262    0.0000 C   0  0  0  0  0  0           0  0  0
   10.6135   -8.5030    0.0000 C   0  0  0  0  0  0           0  0  0
   12.1560   -6.9599    0.0000 C   0  0  0  0  0  0           0  0  0
   13.3643   -7.6917    0.0000 O   0  0  0  0  0  0           0  0  0
   12.0112   -9.7874    0.0000 N   0  0  1  0  0  0           0  0  0
   13.1602   -9.0820    0.0000 C   0  0  0  0  0  0           0  0  0
   10.6891   -6.5764    0.0000 C   0  0  0  0  0  0           0  0  0
    9.7467   -7.7089    0.0000 C   0  0  0  0  0  0           0  0  0
   10.1819   -9.0199    0.0000 O   0  0  0  0  0  0           0  0  0
   10.6135   -9.2820    0.0000 C   0  0  0  0  0  0           0  0  0
   11.2105   -9.8035    0.0000 C   0  0  0  0  0  0           0  0  0
   12.7499   -9.7966    0.0000 C   0  0  0  0  0  0           0  0  0
    9.9090   -6.8840    0.0000 C   0  0  2  0  0  0           0  0  0
    9.3228   -6.2902    0.0000 C   0  0  0  0  0  0           0  0  0
   11.5484   -6.2971    0.0000 H   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  6     0  0
  1  5  1  1     0  0
  2  6  1  0     0  0
  2  7  1  1     0  0
  2  8  1  6     0  0
  3  9  1  0     0  0
  3 10  2  0     0  0
 11  4  1  6     0  0
  5 12  1  0     0  0
  6 13  1  1     0  0
  7 14  1  0     0  0
  7 15  2  0     0  0
  8 16  1  0     0  0
 11 17  1  0     0  0
 11 18  1  0     0  0
 13 19  1  0     0  0
 19 20  1  6     0  0
  6  9  1  0     0  0
 12 18  1  0     0  0
 14 19  1  0     0  0
 16 17  1  0     0  0
  6 21  1  6     0  0
M  END
> <ID>
CHEBI:6593

> <NAME>
Lycoflexine

> <STAR>
2

> <SYNONYM>
Lycoflexine

> <FORMULA>
C17H25NO2

> <MASS>
275.387

> <MONOISOTOPIC_MASS>
275.18853

> <CHARGE>
0

> <SMILES>
C[C@@H]1C[C@H]2CC(=O)[C@]34CCC[N@@](C3)CCC[C@]24C(=O)C1

> <INCHI>
InChI=1S/C17H25NO2/c1-12-8-13-10-14(19)16-4-2-6-18(11-16)7-3-5-17(13,16)15(20)9-12/h12-13H,2-11H2,1H3/t12-,13+,16+,17-/m1/s1

> <INCHIKEY>
SJIMDGIDDDGXLI-OSRSDYAFSA-N

> <CAS_REGISTRY_NUMBER>
52485-00-4

> <KEGG_COMPOUND_ACCESSION>
C09879

> <KNAPSACK_ACCESSION>
C00001946

$$$$