Mol:COX00053

From Metabolomics.JP
Revision as of 20:47, 21 February 2011 by 127.0.0.1 (Talk)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

COX00053.png

4064 
  CDK    9/16/09,17:6 
 
 33 32  0  0  0  0  0  0  0  0999 V2000 
    7.7331   -0.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2690   -0.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.5991    0.9510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4030   -2.0490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.4651   -0.5490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5369   -0.5490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    6.0010   -0.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5010    0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.8671   -0.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.1350   -1.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.5010   -1.4151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.0010    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5010    2.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.5991   -0.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4030   -1.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0261    0.7155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0261   -0.0815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4685    0.4259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    7.2656    0.4259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5335   -1.5240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7365   -1.5240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    5.9641   -1.7251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    6.8110   -1.9520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    7.0380   -1.1051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4760    0.7845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4760    1.5815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    6.0380    2.3590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    5.1910    2.5860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9641    1.7390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    9.4651   -1.1690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   10.0021   -0.2390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5369    0.0710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.8590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
  1  9  1  0  0  0  0 
  1 14  1  0  0  0  0 
  2 10  1  0  0  0  0 
  2 15  1  0  0  0  0 
  3 14  2  0  0  0  0 
  4 15  2  0  0  0  0 
  5 14  1  0  0  0  0 
  5 30  1  0  0  0  0 
  5 31  1  0  0  0  0 
  6 15  1  0  0  0  0 
  6 32  1  0  0  0  0 
  6 33  1  0  0  0  0 
  7  8  1  0  0  0  0 
  7  9  1  0  0  0  0 
  7 10  1  0  0  0  0 
  7 11  1  0  0  0  0 
  8 12  1  0  0  0  0 
  8 16  1  0  0  0  0 
  8 17  1  0  0  0  0 
  9 18  1  0  0  0  0 
  9 19  1  0  0  0  0 
 10 20  1  0  0  0  0 
 10 21  1  0  0  0  0 
 11 22  1  0  0  0  0 
 11 23  1  0  0  0  0 
 11 24  1  0  0  0  0 
 12 13  1  0  0  0  0 
 12 25  1  0  0  0  0 
 12 26  1  0  0  0  0 
 13 27  1  0  0  0  0 
 13 28  1  0  0  0  0 
 13 29  1  0  0  0  0 
S  SKP  6 
NAME	Meprobamate 
ID	COX00053 
FORMULA	C9H18N2O4 
EXACTMASS	218.12665707399998 
AVERAGEMASS	218.2503 
SMILES	[H]N([H])C(=O)OC([H])([H])C(C([H])([H])[H])(C([H])([H])OC(=O)N([H])[H])C([H])([H])C([H])([H])C([H])([H])[H] 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox