Mol:BMSUPnN0CC01

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Copyright: ARM project http://www.metabolome.jp/
 29 30  0  0  1  0  0  0  0  0999 V2000
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    3.7321   -1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7321   -2.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5981   -2.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    6.3301   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962    1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.4641    2.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8660    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9282    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641   -1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5 22  1  6  0  0  0
  5  4  1  0  0  0  0
  4  3  1  0  0  0  0
  3  2  1  0  0  0  0
  2  1  1  0  0  0  0
  1 22  1  0  0  0  0
  5  6  1  0  0  0  0
  3 20  1  6  0  0  0
  4 21  1  1  0  0  0
  2 13  1  1  0  0  0
  6 23  1  0  0  0  0
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 10  9  1  0  0  0  0
  9  8  1  0  0  0  0
  8  7  1  0  0  0  0
  7 28  1  0  0  0  0
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 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 29  1  0  0  0  0
  9 26  1  1  0  0  0
  8 16  1  6  0  0  0
 16 17  1  0  0  0  0
 17 25  2  0  0  0  0
 17 18  1  0  0  0  0
  7 24  1  1  0  0  0
S  SKP  7
ID	BMSUPnN0CC01
NAME	Chitin
FORMULA	C16H28N2O11
EXACTMASS	424.1693
AVERAGEMASS	424.4004
SMILES	OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](NC(C)=O)[C@@H]1O[C@H]([C@@H](CO)2)[C@H](O)[C@@H](NC(C)=O)[C@H](O)O2
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00461
M  END

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