73124019
  CDK     1019221600

 14 16  0  0  0  0  0  0  0  0999 V2000
    3.0674   -0.9465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0644   -0.4605    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1473    0.8078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7348   -0.4616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4022    0.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9902   -1.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8103   -1.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0674    0.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3224    0.8078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8494   -0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2297   -0.1684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7573    1.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    0.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9154    1.2830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0 
  2  5  1  0  0  0  0 
  2  7  1  0  0  0  0 
  2 10  1  0  0  0  0 
  3  5  1  0  0  0  0 
  3  9  1  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  4  8  1  0  0  0  0 
  6  7  1  0  0  0  0 
  8  9  1  0  0  0  0 
  8 11  2  0  0  0  0 
  9 12  2  0  0  0  0 
 11 13  1  0  0  0  0 
 12 14  1  0  0  0  0 
 13 14  2  0  0  0  0 
M  END
> <ID>
CHEBI:193984

> <NAME>
Alline

> <STAR>
2

> <IUPAC_NAME>
3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-ol

> <FORMULA>
C11H14N2O

> <MASS>
190.246

> <MONOISOTOPIC_MASS>
190.11061

> <CHARGE>
0

> <SMILES>
OC12C(N(CC1)C)NC=3C2=CC=CC3

> <INCHI>
InChI=1S/C11H14N2O/c1-13-7-6-11(14)8-4-2-3-5-9(8)12-10(11)13/h2-5,10,12,14H,6-7H2,1H3

> <INCHIKEY>
CBQYNPHHHJTCJS-UHFFFAOYSA-N

$$$$