Mol:FL63ADNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 24  0  0  0  0  0  0  0  0999 V2000 
   -1.8645   -0.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8645   -0.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3260   -1.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7875   -0.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.2489   -1.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2896   -0.7397    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    0.2896   -0.1178    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -0.2489    0.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4027    0.1929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3260   -1.6721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8006   -1.0347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7691    0.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3138   -0.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8586    0.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8586    0.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3138    1.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7691    0.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8586    0.7880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5859    1.6721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0169    2.5744    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 
  4  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  5  1  0  0  0  0 
  1 11  1  0  0  0  0 
  3 12  1  0  0  0  0 
  8 13  1  6  0  0  0 
  9 14  1  6  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
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 17 20  1  0  0  0  0 
 18 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
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    1.5859    1.6721 
S  SKP  8 
ID	FL63ADNS0001 
KNApSAcK_ID	C00008809 
NAME	Symplocosidin 
CAS_RN	76549-34-3 
FORMULA	C16H16O6 
EXACTMASS	304.094688244 
AVERAGEMASS	304.29463999999996 
SMILES	COc(c(O)3)cc(cc3)[C@@H](O1)[C@H](O)Cc(c(O)2)c(cc(O)c2)1 
M  END