Mol:FL63AFNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -2.2217   -0.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2217   -0.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6832   -1.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1447   -0.7397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1447   -0.1178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6832    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6062   -1.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0676   -0.7397    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -0.0676   -0.1178    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -0.6062    0.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7600    0.1929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6832   -1.6721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4433   -1.0347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4119    0.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9566   -0.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5013    0.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5013    0.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9566    1.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4119    0.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5013    0.7880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5013    0.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2287    1.6721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6597    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 
 16 17  2  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 14  1  0  0  0  0 
 17 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 18 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  22  23 
M  SBL   2  1  24 
M  SMT   2  OCH3 
M  SVB   2 24    1.2287    1.6721 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  22 
M  SMT   1  OCH3 
M  SVB   1 22    2.0455    1.1022 
S  SKP  8 
ID	FL63AFNS0001 
KNApSAcK_ID	C00008813 
NAME	Epicatechin 3',4'-dimethyl ether 
CAS_RN	97914-17-5 
FORMULA	C17H18O6 
EXACTMASS	318.110338308 
AVERAGEMASS	318.32122 
SMILES	COc(c3)c(OC)cc(c3)[C@@H](O1)[C@H](O)Cc(c(O)2)c(cc(O)c2)1 
M  END