Mol:FL4DACGS0007

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Copyright: ARM project http://www.metabolome.jp/
 33 36  0  0  0  0  0  0  0  0999 V2000
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   -2.7190    0.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5973   -1.2393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0716   -1.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0512   -2.2901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  6  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  6 18  1  0  0  0  0
  8 19  1  1  0  0  0
 15 20  1  0  0  0  0
  2 21  1  0  0  0  0
 16 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  1  1  0  0  0
 27 26  1  1  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 23 29  1  0  0  0  0
 28 30  1  0  0  0  0
 27 31  1  0  0  0  0
 24 19  1  0  0  0  0
 32 33  1  0  0  0  0
 26 32  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  32  33
M  SBL   1  1  36
M  SMT   1 CH2OH
M  SBV   1  36   -0.7101   -0.1631
S  SKP  5
ID	FL4DACGS0007
FORMULA	C21H22O12
EXACTMASS	466.111126168
AVERAGEMASS	466.39218
SMILES	O(C(C(=O)3)C(Oc(c4)c3c(cc(O)4)O)c(c2)cc(c(O)c2)O)C(C(O)1)OC(CO)C(O)C1O
M  END

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