Mol:FL1CE9NS0004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 24  0  0  0  0  0  0  0  0999 V2000
   -2.0511    0.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0511   -0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4948   -0.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9385   -0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9385    0.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4948    0.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3822   -0.6078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1741   -0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7302   -0.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2863   -0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8473   -0.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4083   -0.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4083    0.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8473    0.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2863    0.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3822   -1.1091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4948   -1.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2167    1.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7801    2.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0725    0.8557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7936    1.3556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4083    0.9745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9082    1.8406    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
  3 17  1  0  0  0  0
  6 18  1  0  0  0  0
 18 19  1  0  0  0  0
  5 20  1  0  0  0  0
 20 21  1  0  0  0  0
  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  22  23
M  SBL   3  1  23
M  SMT   3  OCH3
M  SVB   3 23   -2.4083    0.9745
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  20  21
M  SBL   2  1  21
M  SMT   2  OCH3
M  SVB   2 21   -0.3824    0.6768
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  18  19
M  SBL   1  1  19
M  SMT   1  OCH3
M  SVB   1 19   -1.2167    1.2499
S  SKP  8
ID	FL1CE9NS0004
KNApSAcK_ID	C00006962
NAME	Helilandin B
CAS_RN	70185-52-3
FORMULA	C18H18O5
EXACTMASS	314.115423686
AVERAGEMASS	314.33252
SMILES	c(c1C(=O)C=Cc(c2)cccc2)(O)cc(c(c1OC)OC)OC
M  END

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