Mol:BMMCACENe003

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Copyright: ARM project http://www.metabolome.jp/
 16 16  0  0  1  0  0  0  0  0999 V2000
    5.4641    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4641   -1.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3301   -0.7500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -1.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    0.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  1  7  1  0  0  0  0
  5 16  1  1  0  0  0
  3 10  1  6  0  0  0
  4 15  1  6  0  0  0
 10 11  1  0  0  0  0
 11 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
S  SKP  7
ID	BMMCACENe003
NAME	3-Phospho-shikimic acid
FORMULA	C7H11O8P
EXACTMASS	254.0191
AVERAGEMASS	254.1312
SMILES	OC(=O)C(C1)=C[C@H]([C@@H](O)[C@H](O)1)OP(O)(O)=O
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C03175
M  END

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