Mol:FL63AGNS0018

From Metabolomics.JP
Jump to: navigation, search

FL63AGNS0018.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  1  0  0  0  0  0999 V2000 
    0.0051    1.0351    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    0.0017    0.2112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7091    1.4540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7159   -0.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7158   -0.2008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4266    1.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4300    0.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7124   -1.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1407    1.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1407   -0.1940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4231   -1.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0052   -1.4404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8514    1.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8514    0.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1374   -1.0180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4196   -2.2677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1407   -1.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5690    1.4575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1338   -2.6797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8514   -1.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8479   -2.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1303   -3.5072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5690   -1.0352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5621   -2.6866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7227    1.4471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4334    1.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7227    2.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1510    1.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4402    2.6797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1545    2.2677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8583    1.0214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4437    3.5072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8652    2.6729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  7 10  1  0 
  8 11  1  0 
  8 12  2  0 
  9 13  2  0 
 10 14  2  0 
 10 15  1  0 
 11 16  2  0 
 11 17  1  0 
 13 18  1  0 
 16 19  1  0 
 17 20  2  0 
 19 21  2  0 
 19 22  1  0 
 20 23  1  0 
 21 24  1  0 
  6  7  2  0 
 13 14  1  0 
 20 21  1  0 
  1 25  1  1 
  1  2  1  0 
  1  3  1  0 
  2  4  1  0 
  2  5  1  6 
  3  6  1  0 
  4  7  1  0 
  5  8  1  0 
  6  9  1  0 
 25 26  2  0 
 25 27  1  0 
 26 28  1  0 
 27 29  2  0 
 28 30  2  0 
 28 31  1  0 
 29 32  1  0 
 30 33  1  0 
 29 30  1  0 
S  SKP  7 
ID	FL63AGNS0018 
NAME	(-)-Gallocatechin 3-gallate 
CAS_RN	4233-96-9 
FORMULA	C22H18O11 
EXACTMASS	458.084911418 
AVERAGEMASS	 
SMILES	 
AVERAGEMASS	458.37172000000004 
SMILES	Oc(c4)cc(O1)c(c(O)4)CC(OC(=O)c(c3)cc(O)c(O)c(O)3)C1c(c2)cc(O)c(O)c(O)2 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox