25 28  0  0  1  0  0  0  0  0999 V2000
   25.4557  -20.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4625  -17.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0884  -20.3308    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   24.0918  -17.7978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.4852  -19.0654    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   22.0864  -19.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3879  -17.8528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3862  -20.2753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.7748  -16.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5600  -18.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5561  -19.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7660  -20.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7740  -17.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0538  -18.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0263  -19.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3109  -20.2068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.1377  -19.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3176  -17.9398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2160  -21.4242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1071  -15.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4195  -14.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3947  -13.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0579  -13.8145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7456  -15.1781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7070  -12.0399    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 11 12  1  0     0  0
 12 15  2  0     0  0
 14 13  2  0     0  0
 13 10  1  0     0  0
  5  6  1  0     0  0
  1  3  1  0     0  0
  6  7  1  0     0  0
  6  8  2  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 14  1  0     0  0
  2  4  2  0     0  0
  3 19  1  1     0  0
  2  9  1  0     0  0
 10  2  1  0     0  0
  3  5  1  0     0  0
  4  5  1  0     0  0
 11  1  1  0     0  0
  9 20  2  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
 22 23  1  0     0  0
 23 24  2  0     0  0
 24  9  1  0     0  0
 10 11  2  0     0  0
 22 25  1  0     0  0
M  END
> <ID>
CHEBI:34992

> <NAME>
Talampanel

> <STAR>
2

> <SYNONYM>
Talampanel

> <FORMULA>
C19H19N3O3

> <MASS>
337.373

> <MONOISOTOPIC_MASS>
337.14264

> <CHARGE>
0

> <SMILES>
C[C@@H]1Cc2cc3OCOc3cc2C(=NN1C(C)=O)c1ccc(N)cc1

> <INCHI>
InChI=1S/C19H19N3O3/c1-11-7-14-8-17-18(25-10-24-17)9-16(14)19(21-22(11)12(2)23)13-3-5-15(20)6-4-13/h3-6,8-9,11H,7,10,20H2,1-2H3/t11-/m1/s1

> <INCHIKEY>
JACAAXNEHGBPOQ-LLVKDONJSA-N

> <CAS_REGISTRY_NUMBER>
161832-65-1

> <KEGG_COMPOUND_ACCESSION>
C13670

> <KEGG_DRUG_ACCESSION>
D02696

$$$$