20 22  0  0  1  0  0  0  0  0999 V2000
   26.7588  -22.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7588  -24.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1135  -22.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5674  -22.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1135  -24.8170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.5674  -25.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8960  -23.6784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5865  -21.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3529  -22.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3529  -24.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9471  -20.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1267  -22.2185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4084  -19.6493    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   21.9063  -22.9252    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.8829  -24.2799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.5632  -22.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5339  -24.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7516  -23.5675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0318  -26.0434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.7516  -19.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  2  0     0  0
  3  8  1  0     0  0
  4  9  2  0     0  0
  6 10  2  0     0  0
  8 11  1  0     0  0
  9 12  1  0     0  0
 11 13  1  0     0  0
 14 12  1  1     0  0
 14 15  1  0     0  0
 14 16  1  0     0  0
 15 17  1  0     0  0
 16 18  1  0     0  0
 17 19  2  0     0  0
  5  7  1  0     0  0
  9 10  1  0     0  0
 17 18  1  0     0  0
 13 20  1  0     0  0
M  END
> <ID>
CHEBI:81475

> <NAME>
N-Desmethylzolmitriptan

> <STAR>
2

> <SYNONYM>
183C91

> <FORMULA>
C15H19N3O2

> <MASS>
273.33030

> <MONOISOTOPIC_MASS>
273.14773

> <CHARGE>
0

> <SMILES>
CNCCc1c[nH]c2ccc(C[C@@H]3COC(=O)N3)cc12

> <INCHI>
InChI=1S/C15H19N3O2/c1-16-5-4-11-8-17-14-3-2-10(7-13(11)14)6-12-9-20-15(19)18-12/h2-3,7-8,12,16-17H,4-6,9H2,1H3,(H,18,19)/t12-/m1/s1

> <INCHIKEY>
QGGCHSMZXKNGCK-GFCCVEGCSA-N

> <CAS_REGISTRY_NUMBER>
139264-35-0

> <KEGG_COMPOUND_ACCESSION>
C18056

$$$$