Mol:FL1CELNS0005

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FL1CELNS0005.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 31 33  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
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 28 29  1  0  0  0  0
  5 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  2  30  31
M  SBL   6  1  32
M  SMT   6  OCH3
M  SVB   6 32   -0.7044    0.6395
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  28  29
M  SBL   5  1  30
M  SMT   5  OCH3
M  SVB   5 30   -2.2532   -0.8056
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  26  27
M  SBL   4  1  28
M  SMT   4  OCH3
M  SVB   4 28    1.8057    1.2222
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  24  25
M  SBL   3  1  26
M  SMT   3  OCH3
M  SVB   3 26    2.6471    0.6477
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  22  23
M  SBL   2  1  24
M  SMT   2  OCH3
M  SVB   2 24    2.2899   -0.5301
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22    1.0912   -0.8097
S  SKP  8
ID	FL1CELNS0005
KNApSAcK_ID	C00007033
NAME	2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone
CAS_RN	121697-06-1
FORMULA	C22H24O9
EXACTMASS	432.14203236599997
AVERAGEMASS	432.42056
SMILES	c(O1)(c3)c(c(c(c(OC)3)C(=O)C=Cc(c2)c(OC)c(c(c2OC)OC)OC)OC)OC1
M  END

</pre>

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