Mol:BMMCBZ3SS601

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BMMCBZ3SS601.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 25  0  0  1  0  0  0  0  0999 V2000 
    3.7321   -1.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.8660   -1.7500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
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    7.1962    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.0000   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.7321   -4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    6.3301   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622    4.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  5 19  1  6  0  0  0 
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  3  2  1  0  0  0  0 
  2  1  1  0  0  0  0 
  1 19  1  0  0  0  0 
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  6 20  1  0  0  0  0 
  3 17  1  6  0  0  0 
  1 24  1  6  0  0  0 
  4 18  1  1  0  0  0 
  2 16  1  1  0  0  0 
 12  7  2  0  0  0  0 
 12 11  1  0  0  0  0 
 11 10  2  0  0  0  0 
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  9  8  2  0  0  0  0 
  8  7  1  0  0  0  0 
  7 13  1  0  0  0  0 
  9 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 10 24  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 21  1  0  0  0  0 
S  SKP  7 
ID	BMMCBZ3SS601 
NAME	Coniferin 
FORMULA	C16H22O8 
EXACTMASS	342.1314 
AVERAGEMASS	342.341 
SMILES	OCC=Cc(c2)cc(OC)c(c2)O[C@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00761 
M  END
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