Mol:FL2F2CNS0002

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Copyright: ARM project http://www.metabolome.jp/
 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.6821   -0.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1612   -1.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6403   -0.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6403   -0.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4014   -0.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4014   -0.2045    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1195    0.0962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9218    0.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1195   -1.6307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4562   -0.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9905    0.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9905    0.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4562    1.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9218    0.7129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3966    1.1190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1359    1.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5687    1.5408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0393    0.4142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5393    1.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3966   -0.6501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3736   -0.4369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  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  4  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  0  0  0  0
 11 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 17  2  0  0  0  0
 17 11  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 16  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
  1 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   -2.3966   -0.6501
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   -2.0393    0.4142
S  SKP  8
ID	FL2F2CNS0002
KNApSAcK_ID	C00008398
NAME	6,7-Dimethoxy-3',4'-methylenedioxyflavanone
CAS_RN	94392-48-0
FORMULA	C18H16O6
EXACTMASS	328.094688244
AVERAGEMASS	328.31604
SMILES	c(c(OC)4)(OC)cc(c1c4)OC(c(c3)cc(c2c3)OCO2)CC1=O
M  END

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