Mol:BMFYB5DAk003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 13 12  0  0  0  0  0  0  0  0  1 V2000 
   21.2085   -5.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.0566   -6.0804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.0566   -7.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   21.2085   -4.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   18.9049   -8.0754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   18.9049   -5.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.0566   -3.4204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   22.3603   -3.4204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   17.7530   -7.4104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   18.9049   -9.4054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   18.9049   -4.0854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   17.7530   -6.0804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  1  1  0  0  0  0 
  5  8  1  0  0  0  0 
  5  9  2  0  0  0  0 
  1  5  1  0  0  0  0 
  2  3  2  0  0  0  0 
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  6 11  2  0  0  0  0 
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  7 12  1  0  0  0  0 
  7 13  2  0  0  0  0 
  2  7  1  0  0  0  0 
S  SKP  8 
AUTODRAW	false 
ID	BMFYB5DAk003 
NAME	(2Z) -2-Butene-1,2,3-tricarboxylic acid 
CAS_RN	6061-93-4 
FORMULA	C7H8O6 
EXACTMASS	188.032 
AVERAGEMASS	188.1348 
SMILES	OC(=O)CC(C(O)=O)=C(C)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04225 
M  END