Mol:BMMCQN--s009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 34  0  0  1  0  0  0  0  0999 V2000 
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   16.7224   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   19.3205   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.3205    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   18.4545    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   11.5263   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   16.7224    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   16.7224   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 13 14  2  0  0  0  0 
  6  5  2  0  0  0  0 
 14 15  1  0  0  0  0 
  5 10  1  0  0  0  0 
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  9  8  1  0  0  0  0 
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 10  9  2  0  0  0  0 
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  1 32  2  0  0  0  0 
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  4 33  2  0  0  0  0 
 22 30  1  4  0  0  0 
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  3 12  1  0  0  0  0 
 24 25  1  0  0  0  0 
  7  8  2  0  0  0  0 
 25 26  1  0  0  0  0 
 12 13  1  0  0  0  0 
 26 27  1  0  0  0  0 
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 26 31  1  0  0  0  0 
S  SKP  7 
ID	BMMCQN--s009 
NAME	Phylloquinone 
FORMULA	C31H46O2 
EXACTMASS	450.3497 
AVERAGEMASS	450.6957 
SMILES	CC(C)CCCC(CCCC(C)CCCC(C)=CCc(c(C)2)c(=O)c(c(c(=O)2)1)cccc1)C 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02059 
M  END