Mol:FL1CELNS0004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 30 32  0  0  0  0  0  0  0  0999 V2000
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    0.9643    0.3239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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  7 16  2  0  0  0  0
  5 17  1  0  0  0  0
  1 18  1  0  0  0  0
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  3 21  1  0  0  0  0
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 27 28  1  0  0  0  0
 11 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  31
M  SMT   5  OCH3
M  SVB   5 31    1.0912   -0.8097
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  27  28
M  SBL   4  1  29
M  SMT   4  OCH3
M  SVB   4 29    1.8057    1.2222
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  25  26
M  SBL   3  1  27
M  SMT   3  OCH3
M  SVB   3 27    2.6471    0.6477
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  23  24
M  SBL   2  1  25
M  SMT   2  OCH3
M  SVB   2 25    2.2899   -0.5301
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  23
M  SMT   1  OCH3
M  SVB   1 23   -2.2532   -0.8056
S  SKP  8
ID	FL1CELNS0004
KNApSAcK_ID	C00007032
NAME	6'-Hydroxy-2,3,4,5,2'-pentamethoxy-3',4'-methylenedioxychalcone
CAS_RN	121697-05-0
FORMULA	C21H22O9
EXACTMASS	418.126382302
AVERAGEMASS	418.39398
SMILES	COc(c1OC)cc(C=CC(=O)c(c2OC)c(O)cc(O3)c(OC3)2)c(c1OC)OC
M  END

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