11000753
  CDK     1222211049

 23 27  0  0  0  0  0  0  0  0999 V2000
    5.5496    0.8131    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5952   -0.0772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7482   -1.1209    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0164    0.2210    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3640    0.6531    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2372    0.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3034    1.5709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2607   -0.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9910    1.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5241    1.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6265   -0.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0712   -0.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1989    1.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8902    1.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9548    0.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3256   -1.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4747   -0.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6559    1.7633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1507    0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1697   -1.7633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8477    1.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5935    0.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5594   -0.2788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0 
  1  5  1  0  0  0  0 
  1  7  1  0  0  0  0 
  2  6  1  0  0  0  0 
  2 15  1  0  0  0  0 
  3 17  2  0  0  0  0 
  3 20  1  0  0  0  0 
  4  6  1  0  0  0  0 
  4  8  1  0  0  0  0 
  4 23  1  6  0  0  0 
  5 11  1  0  0  0  0 
  5 14  1  1  0  0  0 
  6  9  2  0  0  0  0 
  7 10  1  0  0  0  0 
  8 12  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 13  1  0  0  0  0 
 11 12  2  0  0  0  0 
 11 17  1  0  0  0  0 
 12 16  1  0  0  0  0 
 13 15  1  0  0  0  0 
 13 18  2  0  0  0  0 
 15 19  2  0  0  0  0 
 16 20  2  0  0  0  0 
 18 21  1  0  0  0  0 
 19 22  1  0  0  0  0 
 21 22  2  0  0  0  0 
M  END
> <ID>
CHEBI:188886

> <NAME>
normalindine

> <STAR>
2

> <IUPAC_NAME>
(1S,14S)-14-methyl-3,13,17-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15(20),16,18-heptaene

> <FORMULA>
C19H19N3

> <MASS>
289.382

> <MONOISOTOPIC_MASS>
289.15790

> <CHARGE>
0

> <SMILES>
N12[C@](C=3NC=4C(C3CC1)=CC=CC4)(CC5=C([C@@H]2C)C=NC=C5)[H]

> <INCHI>
InChI=1S/C19H19N3/c1-12-16-11-20-8-6-13(16)10-18-19-15(7-9-22(12)18)14-4-2-3-5-17(14)21-19/h2-6,8,11-12,18,21H,7,9-10H2,1H3/t12-,18-/m0/s1

> <INCHIKEY>
GDYXGOXCVRIZLZ-SGTLLEGYSA-N

$$$$