Mol:FL4D1AGS0001

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Copyright: ARM project http://www.metabolome.jp/
 31 34  0  0  0  0  0  0  0  0999 V2000
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   -2.6559   -1.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9415    0.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6559    0.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3703    0.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5128   -0.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5128    0.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2271    0.5674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2271   -1.8009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2823    0.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0073    0.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7324    0.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7324    1.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0073    1.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2823    1.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9389   -1.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7321   -1.1029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5303   -1.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9429   -0.6151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1496   -0.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6085   -0.6582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6839   -0.4011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6015   -0.8158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4575    1.8216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1216   -1.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1015   -1.8216    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
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 22 23  1  1  0  0  0
 24 23  1  1  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 20 26  1  0  0  0  0
 25 27  1  0  0  0  0
 24 28  1  0  0  0  0
 21 19  1  0  0  0  0
 15 29  1  0  0  0  0
 30 31  1  0  0  0  0
 23 30  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  30  31
M  SBL   1  1  34
M  SMT   1 CH2OH
M  SBV   1  34   -0.5914   -0.0737
S  SKP  5
ID	FL4D1AGS0001
FORMULA	C21H22O10
EXACTMASS	434.121296924
AVERAGEMASS	434.39338
SMILES	C(C1OC(C2=O)C(c(c4)ccc(O)c4)Oc(c3)c(ccc(O)3)2)(O)C(O)C(O)C(O1)CO
M  END

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