Mol:FL1CG9NS0005

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Copyright: ARM project http://www.metabolome.jp/
 26 27  0  0  0  0  0  0  0  0999 V2000
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   -1.8725   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3162   -0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3162    0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2036   -0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3527   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9088   -0.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4649   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0259   -0.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5869   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5869    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0259    0.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4649    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2036   -1.1437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0381    1.2154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6015    2.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3162   -1.6424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3162   -2.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1061    0.8212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9721    1.3212    0.0000 C   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
  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
  6 17  1  0  0  0  0
 17 18  1  0  0  0  0
  3 19  1  0  0  0  0
 19 20  1  0  0  0  0
  5 21  1  0  0  0  0
 21 22  1  0  0  0  0
  1 23  1  0  0  0  0
 23 24  1  0  0  0  0
  2 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  25  26
M  SBL   5  1  26
M  SMT   5  OCH3
M  SVB   5 26   -2.5869   -0.2297
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  23  24
M  SBL   4  1  24
M  SMT   4  OCH3
M  SVB   4 24   -2.2297    0.9399
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  21  22
M  SBL   3  1  22
M  SMT   3  OCH3
M  SVB   3 22   -0.2038    0.6422
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  19  20
M  SBL   2  1  20
M  SMT   2  OCH3
M  SVB   2 20   -1.7526   -0.8029
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  17  18
M  SBL   1  1  18
M  SMT   1  OCH3
M  SVB   1 18   -1.0381    1.2154
S  SKP  8
ID	FL1CG9NS0005
KNApSAcK_ID	C00006986
NAME	Pedicellin
CAS_RN	518-58-1
FORMULA	C20H22O6
EXACTMASS	358.141638436
AVERAGEMASS	358.38508
SMILES	O(C)c(c2OC)c(c(OC)c(c2OC)OC)C(=O)C=Cc(c1)cccc1
M  END

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