Mol:FLIAECNS0004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 28  0  0  0  0  0  0  0  0999 V2000
   -1.9669    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9669    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4106    0.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8543    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2583    1.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2980    1.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8144   -0.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4092   -0.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0040   -0.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0040    0.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4092    0.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5778    0.3384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4092   -1.5005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1326   -0.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8700   -0.9709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7361   -1.4709    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
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  2  1  0  0  0  0
 13 21  1  0  0  0  0
  3 22  1  0  0  0  0
 22 23  1  0  0  0  0
 14 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  24  25
M  SBL   2  1  27
M  SMT   2  OCH3
M  SVB   2 27    2.2409   -0.6772
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  22  23
M  SBL   1  1  25
M  SMT   1  OCH3
M  SVB   1 25    -1.847    0.0552
S  SKP  8
ID	FLIAECNS0004
KNApSAcK_ID	C00009477
NAME	Iriskumaonin;3'-Hydroxy-5,4'-dimethoxy-6,7-methylenedioxyisoflavone
CAS_RN	69618-04-8
FORMULA	C18H14O7
EXACTMASS	342.073952802
AVERAGEMASS	342.29956000000004
SMILES	c(c34)c(c1c(c3OCO4)OC)OC=C(c(c2)cc(O)c(OC)c2)C1=O
M  END

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