Mol:FL2FEANS0006

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FL2FEANS0006.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 27  0  0  0  0  0  0  0  0999 V2000
   -2.1040    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1040   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1212   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1212    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4351    0.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6773    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2443    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8112    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8112    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2443    1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6773    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4351   -1.3906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7149    0.3152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7149   -0.7241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3780    1.4197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0925    1.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9841   -1.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2697   -1.4198    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
  9 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
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
  3 23  1  0  0  0  0
 23 24  1  0  0  0  0
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  SBV   1 24   -8.2362    4.1152
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  SBV   2 26   -9.2394    3.6275
S  SKP  8
ID	FL2FEANS0006
KNApSAcK_ID	C00008258
NAME	5,4'-Dimethoxy-6,7-methylenedioxyflavanone
CAS_RN	105801-21-6
FORMULA	C18H16O6
EXACTMASS	328.094688244
AVERAGEMASS	328.31604
SMILES	O(C(c(c4)ccc(OC)c4)3)c(c2)c(C(=O)C3)c(c(c21)OCO1)OC
M  END

</pre>

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