Mol:FL5FDBNM0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
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   -2.3202   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7639   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.5950    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  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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  9 10  1  0  0  0  0 
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 25 26  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  25  26 
M  SBL   3  1  27 
M  SMT   3  OCH3 
M  SVB   3 27    2.1618    1.4543 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  25 
M  SMT   2  OCH3 
M  SVB   2 25   -2.6775      0.77 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23    0.1038   -0.6973 
S  SKP  8 
ID	FL5FDBNM0002 
KNApSAcK_ID	C00004894 
NAME	Kalmiatin 
CAS_RN	92830-14-3 
FORMULA	C20H20O6 
EXACTMASS	356.125988372 
AVERAGEMASS	356.3692 
SMILES	COc(c3C)c(c(O1)c(c3O)C(C(=C(c(c2)ccc(OC)c2)1)OC)=O)C 
M  END