Mol:FL1CE9NS0007

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.7355    0.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7355   -0.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1792   -0.3599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6228   -0.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6228    0.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1792    0.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0665   -0.3599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4898   -0.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0458   -0.3598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6019   -0.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1629   -0.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7239   -0.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7239    0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1629    0.9329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6019    0.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0665   -0.8612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3464    0.8021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7239    0.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3464   -0.2372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6156   -0.5204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9011   -0.9329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0668    0.9247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6477    0.5122    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 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
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  2  1  0  0  0  0
  3 20  1  0  0  0  0
 20 21  1  0  0  0  0
  5 22  1  0  0  0  0
 22 23  1  0  0  0  0
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  SBV   1 22   -5.7978    3.7225
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  SBV   2 24   -4.8052    4.2041
S  SKP  8
ID	FL1CE9NS0007
KNApSAcK_ID	C00007026
NAME	Helilandin A
CAS_RN	70185-50-1
FORMULA	C18H16O5
EXACTMASS	312.099773622
AVERAGEMASS	312.31664
SMILES	C(c(c(OC)3)c(c(c2c3)OCO2)OC)(=O)C=Cc(c1)cccc1
M  END

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