Mol:FL1CG9NS0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 27  0  0  0  0  0  0  0  0999 V2000 
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   -1.8725   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3162   -0.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.9088   -0.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4649   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.4649    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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M  STY  1   5 SUP 
M  SLB  1   5   5 
M  SAL   5  2  25  26 
M  SBL   5  1  26 
M  SMT   5  OCH3 
M  SVB   5 26   -2.5869   -0.2297 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  23  24 
M  SBL   4  1  24 
M  SMT   4  OCH3 
M  SVB   4 24   -2.2297    0.9399 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  21  22 
M  SBL   3  1  22 
M  SMT   3  OCH3 
M  SVB   3 22   -0.2038    0.6422 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  19  20 
M  SBL   2  1  20 
M  SMT   2  OCH3 
M  SVB   2 20   -1.7526   -0.8029 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  17  18 
M  SBL   1  1  18 
M  SMT   1  OCH3 
M  SVB   1 18   -1.0381    1.2154 
S  SKP  8 
ID	FL1CG9NS0005 
KNApSAcK_ID	C00006986 
NAME	Pedicellin 
CAS_RN	518-58-1 
FORMULA	C20H22O6 
EXACTMASS	358.141638436 
AVERAGEMASS	358.38508 
SMILES	O(C)c(c2OC)c(c(OC)c(c2OC)OC)C(=O)C=Cc(c1)cccc1 
M  END