Mol:FL2F1LNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 27  0  0  0  0  0  0  0  0999 V2000 
   -2.0957   -0.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5749   -0.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0540   -0.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0540    0.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5749    0.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.0122    0.0893    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -0.5331    0.3900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5082    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5331   -1.3368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0425    0.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5769    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5769    1.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0425    1.3153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5082    1.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1371    0.2396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4530    0.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0880    1.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6129    1.3368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2121    1.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4530    0.7081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9530    1.5741    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  6  0  0  0 
  7 12  2  0  0  0  0 
 11 13  2  0  0  0  0 
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 15 16  1  0  0  0  0 
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 21 22  1  0  0  0  0 
  6 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    -2.453    0.7081 
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    0.6129    1.3368 
S  SKP  8 
ID	FL2F1LNS0001 
KNApSAcK_ID	C00008395 
NAME	7,2'-Dimethoxy-4',5'-methylenedioxyflavanone 
CAS_RN	103197-37-1 
FORMULA	C18H16O6 
EXACTMASS	328.094688244 
AVERAGEMASS	328.31604 
SMILES	c(c34)c(c(OC)cc3OCO4)[C@H](C2)Oc(c(C(=O)2)1)cc(OC)cc1 
M  END