Mol:BMCCQI--t002

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BMCCQI--t002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 24  0  0  1  0  0  0  0  0999 V2000 
    5.4641   -0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    4.5981   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9282   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9282   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9282   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  7  8  2  0  0  0  0 
  6 18  1  0  0  0  0 
  8  9  1  0  0  0  0 
  7 20  1  0  0  0  0 
  9 10  2  0  0  0  0 
  1 11  1  0  0  0  0 
  9  1  1  0  0  0  0 
 11 12  1  0  0  0  0 
  1  2  1  4  0  0  0 
 12 17  2  0  0  0  0 
  2  3  1  0  0  0  0 
 12 13  1  0  0  0  0 
  3  4  1  0  0  0  0 
 13 14  2  0  0  0  0 
  4 10  1  0  0  0  0 
 14 15  1  0  0  0  0 
 10  5  1  0  0  0  0 
 15 16  2  0  0  0  0 
 17 16  1  0  0  0  0 
  5  6  2  0  0  0  0 
 15 22  1  0  0  0  0 
  6  7  1  0  0  0  0 
 14 21  1  0  0  0  0 
 18 19  1  0  0  0  0 
S  SKP  7 
ID	BMCCQI--t002 
NAME	6-O-Methyl-norlaudanosoline 
FORMULA	C17H19NO4 
EXACTMASS	301.1314 
AVERAGEMASS	301.337 
SMILES	COc(c1)c(O)cc(C2Cc(c3)cc(O)c(O)c3)c(CCN2)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05203 
M  END
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