Mol:FL1DE9NS0002

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Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.7040    0.6388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7040   -0.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500   -0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5960   -0.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5960    0.6388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1500    0.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0423   -0.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5102   -0.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0615   -0.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6117   -0.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1501   -0.3131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6884   -0.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6884    0.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1501    0.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6117    0.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0423   -0.9586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3124    0.8365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6884    0.3189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3124   -0.1986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0423    0.9585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6722    0.5460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5876   -0.4806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8732   -0.8931    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
  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 11  2  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 10  1  0  0  0  0
  7 16  2  0  0  0  0
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  2  1  0  0  0  0
  5 20  1  0  0  0  0
 20 21  1  0  0  0  0
  3 22  1  0  0  0  0
 22 23  1  0  0  0  0
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  SBV   1 22   -5.4568    3.7428
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  SBV   2 24   -6.4481    3.2633
S  SKP  8
ID	FL1DE9NS0002
KNApSAcK_ID	C00007954
NAME	2',6'-Dimethoxy-3',4'-methylenedioxydihydrochalcone
CAS_RN	70185-55-6
FORMULA	C18H18O5
EXACTMASS	314.115423686
AVERAGEMASS	314.33252
SMILES	C(c(c(OC)3)c(c(c2c3)OCO2)OC)(=O)CCc(c1)cccc1
M  END

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