Mol:FL1CDAGS0002

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Copyright: ARM project http://www.metabolome.jp/
 42 45  0  0  0  0  0  0  0  0999 V2000
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  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  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  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 10  1  0  0  0  0
  7 16  2  0  0  0  0
  3 17  1  0  0  0  0
 20 19  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 24 19  1  1  0  0  0
 23 25  1  0  0  0  0
 22 26  1  0  0  0  0
 21 27  1  0  0  0  0
 20 18  1  0  0  0  0
 33 28  1  1  0  0  0
 32 28  1  1  0  0  0
 31 33  1  1  0  0  0
 28 29  1  0  0  0  0
 33 30  1  0  0  0  0
 34 31  1  0  0  0  0
 32 34  1  0  0  0  0
 27 32  1  0  0  0  0
 18 13  1  0  0  0  0
 35 36  1  0  0  0  0
 24 35  1  0  0  0  0
 37 38  1  0  0  0  0
 33 37  1  0  0  0  0
 39 40  1  0  0  0  0
  1 39  1  0  0  0  0
 41 42  1  0  0  0  0
  5 41  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  35  36
M  SBL   1  1  39
M  SMT   1 ^ CH2OH
M  SBV   1  39    0.8896   -0.3743
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  37  38
M  SBL   2  1  41
M  SMT   2 CH2OH
M  SBV   2  41    0.0000    0.4754
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  39  40
M  SBL   3  1  43
M  SMT   3 ^ OCH3
M  SBV   3  43    0.6864   -0.4464
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  41  42
M  SBL   4  1  45
M  SMT   4  OCH3
M  SBV   4  45   -0.7378   -0.5129
S  SKP  5
ID	FL1CDAGS0002
FORMULA	C28H34O14
EXACTMASS	594.194855796
AVERAGEMASS	594.56116
SMILES	C(C(OC(C4O)OCC(CO)4O)3)(OC(CO)C(C(O)3)O)Oc(c2)ccc(c2)C=CC(=O)c(c1O)c(OC)cc(OC)c1
M  END

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