Mol:FLIB2CNS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.3007   -0.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7548   -0.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3753   -0.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5416   -0.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0874   -1.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4669   -1.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1621   -1.1151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3283   -1.7356    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.8741   -2.1898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2536   -2.0235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9486   -1.9018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4342   -1.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0976   -1.5939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2754   -2.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7897   -2.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1263   -2.5652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6161   -0.6611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6736   -1.2198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2074   -1.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9613   -2.2932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6105   -0.8013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3554   -1.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1171    0.1728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9390    0.1008    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  1  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  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 11  2  0  0  0  0
  7 17  2  0  0  0  0
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 14  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
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   -2.5979    0.5083
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   -2.2406     1.678
S  SKP  8
ID	FLIB2CNS0001
KNApSAcK_ID	C00009544
NAME	6,7-Dimethoxy-3',4'-methylenedioxyisoflavanone
CAS_RN	24195-20-8
FORMULA	C18H16O6
EXACTMASS	328.094688244
AVERAGEMASS	328.31604
SMILES	c(c(OC)4)(OC)cc(c1c4)OCC(c(c3)cc(c2c3)OCO2)C1=O
M  END

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