Mol:FL3FGLNS0005

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Copyright: ARM project http://www.metabolome.jp/
 31 33  0  0  0  0  0  0  0  0999 V2000
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   -1.4067    0.8652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  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
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 14 22  1  0  0  0  0
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  3 24  1  0  0  0  0
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 15 26  1  0  0  0  0
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 17 28  1  0  0  0  0
 28 29  1  0  0  0  0
  1 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  STY  1   7 SUP
M  SLB  1   7   7
M  SAL   7  2  30  31
M  SBL   7  1  32
M  SMT   7  OCH3
M  SVB   7 32   -2.5983    0.5898
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  2  28  29
M  SBL   6  1  30
M  SMT   6  OCH3
M  SVB   6 30     0.183    1.5655
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  26  27
M  SBL   5  1  28
M  SMT   5  OCH3
M  SVB   5 28     2.241     1.274
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  24  25
M  SBL   4  1  26
M  SMT   4  OCH3
M  SVB   4 26   -2.1212    -1.153
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  22  23
M  SBL   3  1  24
M  SMT   3  OCH3
M  SVB   3 24    1.8838    0.0858
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  20  21
M  SBL   2  1  22
M  SMT   2  OCH3
M  SVB   2 22   -1.4067    0.8652
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  18  19
M  SBL   1  1  20
M  SMT   1  OCH3
M  SVB   1 20   -2.9555   -0.5799
S  SKP  8
ID	FL3FGLNS0005
KNApSAcK_ID	C00003969
NAME	Agecorynin C
CAS_RN	70460-31-0
FORMULA	C22H24O9
EXACTMASS	432.14203236599997
AVERAGEMASS	432.42056
SMILES	c(C(=O)1)(c(OC)3)c(c(OC)c(OC)c(OC)3)OC(c(c2)c(cc(OC)c2OC)OC)=C1
M  END

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