Mol:BMFYB5CAe006

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BMFYB5CAe006.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 14 13  0  0  1  0  0  0  0  0999 V2000 
    5.5981    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7321    1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    3.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2321    1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4641    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7321    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2321    0.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000   -2.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0000   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0000   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  1  0  0  0  0 
  3  6  1  6  0  0  0 
  3  9  1  1  0  0  0 
  1  7  1  0  0  0  0 
  1  8  2  0  0  0  0 
  2  1  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 11 14  1  0  0  0  0 
 11 13  1  0  0  0  0 
S  SKP  7 
ID	BMFYB5CAe006 
NAME	(3R) -3-Hydroxy-3-methyl-5-phosphonooxypentanoic acid 
CAS_RN	1189-94-2 
FORMULA	C6H13O7P 
EXACTMASS	228.0398 
AVERAGEMASS	228.1369 
SMILES	OC(=O)C[C@@](C)(O)CCOP(O)(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01107 
M  END
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