Mol:FL1C3CNS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 26  0  0  0  0  0  0  0  0999 V2000 
   -3.2643    0.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7722   -0.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1685    0.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0570    0.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5491    1.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1527    0.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4534    0.8528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3418    1.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7384    1.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6269    2.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0182    2.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0943    3.1969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4020    3.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0107    3.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1232    2.7538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0693    0.5306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.2895    4.2510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4857    4.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9679    0.3177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9527    0.4912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.0340    3.5389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9737    3.8809    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 
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  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 
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M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  24  25 
M  SBL   4  1  25 
M  SMT   4  OCH3 
M  SVB   4 25    2.1529   -0.3552 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  22  23 
M  SBL   3  1  23 
M  SMT   3  OCH3 
M  SVB   3 23   -3.2246   -0.0575 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  20  21 
M  SBL   2  1  21 
M  SMT   2  OCH3 
M  SVB   2 21   -2.8674    1.1122 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  18  19 
M  SBL   1  1  19 
M  SMT   1  OCH3 
M  SVB   1 19    2.5101    0.8227 
S  SKP  8 
ID	FL1C3CNS0003 
KNApSAcK_ID	C00006971 
NAME	Okanin 3,4,3',4'-tetramethyl ether 
CAS_RN	94285-19-5 
FORMULA	C19H20O6 
EXACTMASS	344.125988372 
AVERAGEMASS	344.3585 
SMILES	c(c1O)(OC)c(OC)ccc1C(=O)C=Cc(c2)cc(OC)c(OC)c2 
M  END