Mol:BMCCCC--k017

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BMCCCC--k017.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 24  0  0  0  0  0  0  0  0999 V2000 
    0.7862   -0.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7793   -1.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.9966   -2.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2310   -0.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0069    1.9241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6690   -0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.2241   -1.6207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4552    0.5069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2345    2.6379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7759    2.6276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8931    0.5241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8931   -2.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4483   -2.3276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -4.1172   -1.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6793    2.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1310    2.6414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  1  3  1  0  0  0  0 
  1  4  2  0  0  0  0 
  2  5  1  0  0  0  0 
  2  6  2  0  0  0  0 
  3  7  2  0  0  0  0 
  3  8  1  0  0  0  0 
  4  9  1  0  0  0  0 
  5 10  1  0  0  0  0 
  6 11  1  0  0  0  0 
  7 12  1  0  0  0  0 
  8 13  1  0  0  0  0 
  8 14  2  0  0  0  0 
  9 15  2  0  0  0  0 
 10 16  2  0  0  0  0 
 11 17  2  0  0  0  0 
 15 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
 19 21  1  0  0  0  0 
 19 22  2  0  0  0  0 
  7 11  1  0  0  0  0 
  9 10  1  0  0  0  0 
 18 20  2  0  0  0  0 
S  SKP  7 
ID	BMCCCC--k017 
NAME	2-Amino-3-oxophenoxazine-1,9-dicarboxylic acid 
CAS_RN	 606-59-7 
FORMULA	C14H8N2O6 
EXACTMASS	300.0382 
AVERAGEMASS	300.2232 
SMILES	OC(=O)c(c3)c(N=1)c(cc3)Oc(c2)c1c(C(O)=O)c(N)c(=O)2 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05640 
M  END
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