Mol:FL3FF8NS0012

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 28  0  0  0  0  0  0  0  0999 V2000
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   -1.7790   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2227   -0.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6664   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6664    0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2227    0.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1101   -0.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4462    0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1101    0.3268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1101   -1.4588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0023    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5693   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1362    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1362    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5693    1.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0023    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2227   -1.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1382   -0.1643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8527   -0.5768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9447    0.8998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5082    1.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1362    0.6243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6362    1.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6451    1.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1452    2.4662    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
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
  1 23  1  0  0  0  0
 23 24  1  0  0  0  0
 17 25  1  0  0  0  0
 25 26  1  0  0  0  0
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    0.6451    1.6001
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   -2.1362    0.6243
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   -0.9447    0.8998
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    1.1382   -0.1643
S  SKP  8
ID	FL3FF8NS0012
KNApSAcK_ID	C00003906
NAME	Altisin
CAS_RN	57765-78-3
FORMULA	C19H18O7
EXACTMASS	358.10525293
AVERAGEMASS	358.34202000000005
SMILES	c(c1C(O2)=CC(c(c(O)3)c2c(c(OC)c3)OC)=O)(OC)cccc1OC
M  END

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