Mol:FL3FGGNS0009

<pre>

Copyright: ARM project http://www.metabolome.jp/
 30 33  0  0  0  0  0  0  0  0999 V2000
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   -2.0021   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2231   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2231   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3332    0.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3332   -1.6357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3462   -0.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9131    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9131    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3462    1.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5198   -0.0128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8619    0.5139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4666    1.0020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1678    0.7229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7313    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -2.1349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -3.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0650    0.1988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8619    0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0870    1.7192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0152    2.5410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7166   -0.7222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7085   -0.5952    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
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
  3 23  1  0  0  0  0
 23 24  1  0  0  0  0
  1 25  1  0  0  0  0
 25 26  1  0  0  0  0
 16 27  1  0  0  0  0
 27 28  1  0  0  0  0
  2 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  29  30
M  SBL   5  1  32
M  SMT   5  OCH3
M  SVB   5 32   -2.7166   -0.7222
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  27  28
M  SBL   4  1  30
M  SMT   4  OCH3
M  SVB   4 30    1.6296    1.7079
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  25  26
M  SBL   3  1  28
M  SMT   3  OCH3
M  SVB   3 28    -2.065    0.1988
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  23  24
M  SBL   2  1  26
M  SMT   2  OCH3
M  SVB   2 26   -1.8822   -1.2954
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  24
M  SMT   1  OCH3
M  SVB   1 24   -1.1678    0.7229
S  SKP  8
ID	FL3FGGNS0009
KNApSAcK_ID	C00004008
NAME	Eupalestin;Conyzorigun;5,6,7,8-Tetramethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-4H-1-benzopyran-4-one
CAS_RN	73340-44-0
FORMULA	C21H20O9
EXACTMASS	416.11073223799997
AVERAGEMASS	416.37809999999996
SMILES	COc(c12)cc(C(O4)=CC(c(c43)c(OC)c(c(c(OC)3)OC)OC)=O)cc(OCO2)1
M  END

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