Mol:FL1CELNS0003

Revision as of 09:00, 7 October 2008

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Copyright: ARM project http://www.metabolome.jp/
 29 31  0  0  0  0  0  0  0  0999 V2000
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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
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  1 18  1  0  0  0  0
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 28 29  1  0  0  0  0
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  28  29
M  SBL   4  1  30
M  SMT   4  OCH3
M  SVB   4 30    1.8057    1.2588
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  26  27
M  SBL   3  1  28
M  SMT   3  OCH3
M  SVB   3 28    2.6471    0.6843
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  24  25
M  SBL   2  1  26
M  SMT   2  OCH3
M  SVB   2 26   -0.7044    0.6761
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  22  23
M  SBL   1  1  24
M  SMT   1  OCH3
M  SVB   1 24    2.2899   -0.4935
S  SKP  8
ID	FL1CELNS0003
KNApSAcK_ID	C00007031
NAME	2,2'-Dihydroxy-3,4,5,6'-tetramethoxy-3',4'-methylenedioxychalcone
CAS_RN	121697-07-2
FORMULA	C20H20O9
EXACTMASS	404.11073223799997
AVERAGEMASS	404.3674
SMILES	COc(c3OC)cc(c(c3OC)O)C=CC(=O)c(c2OC)c(c(c1c2)OCO1)O
M  END

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