Mol:FL2FEANS0006

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FL2FEANS0006.png

 
 
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 
   -1.5477   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9914   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9914    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5477    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4351   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    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 
   -3.0925   -0.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -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
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