Mol:FL3FELNS0003

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Copyright: ARM project http://www.metabolome.jp/
 27 29  0  0  0  0  0  0  0  0999 V2000
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   -2.2408   -1.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8734   -1.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2863   -1.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0666   -2.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4340   -2.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9189   -1.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3318   -2.0299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1121   -2.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4795   -2.7451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3887   -1.9840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.5600   -3.1659    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
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  0  0  0  0
 14 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  26  27
M  SBL   4  1  28
M  SMT   4  OCH3
M  SVB   4 28    1.8838    0.1204
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  24  25
M  SBL   3  1  26
M  SMT   3  OCH3
M  SVB   3 26     2.241    1.3086
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  22  23
M  SBL   2  1  24
M  SMT   2  OCH3
M  SVB   2 24   -2.9555   -0.5453
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22     0.183    1.6001
S  SKP  8
ID	FL3FELNS0003
KNApSAcK_ID	C00003939
NAME	Tabularin
CAS_RN	63591-68-4
FORMULA	C19H18O8
EXACTMASS	374.100167552
AVERAGEMASS	374.34142
SMILES	c(c(OC)1)(OC)cc(c(C(O2)=CC(c(c3O)c2cc(c3OC)O)=O)c1)OC
M  END

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