Mol:FL1DRTNS0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 24  0  0  0  0  0  0  0  0999 V2000 
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   -0.3315   -0.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2198   -0.4597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7700   -0.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3084   -0.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8467   -0.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8467    0.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.7700    0.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8840   -1.0984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.8630   -0.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5775   -1.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3850    0.7904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0994    0.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4128    1.0984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0871    1.9645    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 
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  6  1  1  0  0  0  0 
  4  7  1  0  0  0  0 
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 22 23  1  0  0  0  0 
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    0.4128    1.0984 
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     2.385    0.7904 
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     0.863   -0.6083 
S  SKP  8 
ID	FL1DRTNS0005 
KNApSAcK_ID	C00007933 
NAME	Loureirin B 
CAS_RN	119425-90-0 
FORMULA	C18H20O5 
EXACTMASS	316.13107375 
AVERAGEMASS	316.3484 
SMILES	c(c1CCC(=O)c(c2)ccc(O)c2)(OC)cc(OC)cc1OC 
M  END