D00699
  

 30 30  0  0  0  0  0  0  0  0999 V2000
   19.2682  -11.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2682  -13.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9886  -10.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7603  -11.5340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3603  -11.5340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2559  -10.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6654  -10.1364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0482   -9.4667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9886  -13.8064    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0011  -14.4063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5729  -13.8064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6776  -11.5402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.9886   -9.3116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.4969  -10.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9324  -10.0323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5991   -9.6444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.5094  -12.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0733  -12.6274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8092  -13.3522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0497  -13.2180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5542   -9.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3451   -8.7056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0718   -8.9644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.9430   -9.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6776  -13.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9888  -10.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0930   -9.6447    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.5888  -10.2356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0930  -10.8265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3728  -13.8064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  2  0  0  0  0
  3 12  1  0  0  0  0
  3 13  2  0  0  0  0
  4 14  1  0  0  0  0
  4 17  1  0  0  0  0
  6 21  1  0  0  0  0
  9 25  1  0  0  0  0
 14 26  1  0  0  0  0
 25 30  1  0  0  0  0
 12 25  2  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  END
> 
KEGG_DURG-00000656-01

> 
KEGG_DRUG

> 
KEGG_DRUG

> 
D00699

> 
C10H15N2O3

> 
211.241

> 
-1

> 
1

> 
4

> 
-4.7075

> 
4.1509

> 
2

> 
-1.0580

> 
0.8343

> 
CCC(C1(C(NC(=NC1=O)O)=O)CC)C

> 
Butabarbital sodium;Secbutabarbital sodium;Butabarb

$$$$