Mol:FL63AAGS0002

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Copyright: ARM project http://www.metabolome.jp/
 31 34  0  0  0  0  0  0  0  0999 V2000
   -2.8315    1.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8315    0.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1171    0.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4026    0.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4026    1.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1171    1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6881    0.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0263    0.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0263    1.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6881    1.6586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7408    1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4611    1.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1815    1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1815    2.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4611    2.9062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7408    2.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8710    2.8884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7408    0.0086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1171   -0.8144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9156   -0.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2747   -0.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9926   -0.7903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5108   -1.3242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1516   -0.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4338   -0.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3344    0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9380   -1.6332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5460   -1.3588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3258   -1.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6109   -2.9062    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
  4  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  5  1  0  0  0  0
  9 11  1  6  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
  1 18  1  0  0  0  0
  8 19  1  6  0  0  0
  3 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 21 27  1  0  0  0  0
 26 28  1  0  0  0  0
 25 29  1  0  0  0  0
 22 19  1  0  0  0  0
 24 23  1  1  0  0  0
 30 31  1  0  0  0  0
 24 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   -0.8150    0.4025
S  SKP  5
ID	FL63AAGS0002
FORMULA	C21H24O10
EXACTMASS	436.136946988
AVERAGEMASS	436.40926
SMILES	C(C1OC(C3c(c4)ccc(O)c4)Cc(c2O3)c(cc(O)c2)O)(O)C(O)C(O)C(O1)CO
M  END

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