Mol:BMFYB4CAb009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 11 10  0  0  0  0  0  0  0  0999 V2000 
    4.5981    1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.3170    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0 
    2.3660   -0.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.8170    0.0000 C   0  3  0  0  0  0  0  0  0  0  0  0 
    3.3660   -2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    2.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    2.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    0.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  3  2  1  0  0  0  0 
  3  4  1  0  0  0  0 
  1  9  1  0  0  0  0 
  1 10  2  0  0  0  0 
  2  1  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  5  8  1  0  0  0  0 
  5  7  1  0  0  0  0 
  3 11  2  0  0  0  0 
S  SKP  7 
ID	BMFYB4CAb009 
NAME	3-Dehydro-carnitine 
FORMULA	C7H13NO3 
EXACTMASS	159.0895 
AVERAGEMASS	159.183 
SMILES	OC(=O)CC(=O)C[N+1](C)([CH2+1])C 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02636 
M  END