Mol:FL5FE8NS0001

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Copyright: ARM project http://www.metabolome.jp/
 28 30  0  0  0  0  0  0  0  0999 V2000
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   -2.7415    0.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1957   -0.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6667    0.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8330    1.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4535    1.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9077    1.0441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1830    0.5820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6196    2.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1567    2.5815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3261    3.2138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9585    3.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4215    2.9204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2520    2.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3344   -0.5293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7938   -1.4262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1180   -0.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1259    2.0392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4187    2.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9422    2.1031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9081    1.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7195   -0.8360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6190    3.9209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3602    4.8868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 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 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
  8 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 23  1  0  0  0  0
 23 24  1  0  0  0  0
  1 25  1  0  0  0  0
 25 26  1  0  0  0  0
 14 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  27  28
M  SBL   5  1  29
M  SMT   5  OCH3
M  SVB   5 29    2.0624    0.1204
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  25  26
M  SBL   4  1  27
M  SMT   4  OCH3
M  SVB   4 27   -2.4197    0.6243
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  23  24
M  SBL   3  1  25
M  SMT   3  OCH3
M  SVB   3 25    0.3617    1.6001
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1  23
M  SMT   2  OCH3
M  SVB   2 23    0.3617    -0.843
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  21
M  SMT   1  OCH3
M  SVB   1 21   -2.7769   -0.5453
S  SKP  8
ID	FL5FE8NS0001
KNApSAcK_ID	C00004676
NAME	Grantiodin
CAS_RN	134779-24-1
FORMULA	C20H20O8
EXACTMASS	388.11581761599996
AVERAGEMASS	388.368
SMILES	COc(c3OC)cc(O1)c(c3O)C(C(OC)=C1c(c2)c(ccc(OC)2)OC)=O
M  END

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