Mol:FL63DCNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 27  0  0  0  0  0  0  0  0999 V2000 
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   -2.1669   -0.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6283   -0.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0898   -0.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.4982   -0.7767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4668    0.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0115    0.1025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5562    0.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5562    1.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0115    1.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4668    1.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1544    0.2226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5241    0.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1544    1.2404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5241    0.7589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0240    1.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0737   -0.9480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  1  2  2  0  0  0  0 
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  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 
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  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 
  8 11  1  6  0  0  0 
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  3 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  26 
M  SMT   2  OCH3 
M  SVB   2 26   -2.0737    -0.948 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  24 
M  SMT   1  OCH3 
M  SVB   1 24   -2.5241    0.7589 
S  SKP  8 
ID	FL63DCNS0001 
KNApSAcK_ID	C00008829 
NAME	3',4'-Methylenedioxy epicatechin 5,7-dimethyl ether 
CAS_RN	87562-72-9 
FORMULA	C18H18O6 
EXACTMASS	330.110338308 
AVERAGEMASS	330.33191999999997 
SMILES	c(c41)(OCO4)ccc([C@@H](O2)[C@H](O)Cc(c(OC)3)c2cc(OC)c3)c1 
M  END