Mol:FL3FELNS0004

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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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   -3.4664   -1.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7511   -0.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4299   -1.1988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5371    0.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5029   -0.0863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3570   -0.6425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7696    0.0720    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  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
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 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
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  3 18  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
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 23 24  1  0  0  0  0
  2 25  1  0  0  0  0
 25 26  1  0  0  0  0
  1 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   -2.5983    0.6243
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   -2.9555   -0.5453
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     0.183    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    1.8838    0.1204
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     2.241    1.3086
S  SKP  8
ID	FL3FELNS0004
KNApSAcK_ID	C00003940
NAME	Agehoustin G
CAS_RN	96410-44-5
FORMULA	C20H20O8
EXACTMASS	388.11581761599996
AVERAGEMASS	388.368
SMILES	COc(c3OC)cc(c1c3O)OC(c(c2OC)cc(OC)c(c2)OC)=CC(=O)1
M  END

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