Mol:FL63ACNS0015

From Metabolomics.JP
Jump to: navigation, search

FL63ACNS0015.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 43 47  0  0  0  0  0  0  0  0999 V2000 
   -1.5667    0.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5667    0.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0282   -0.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4896    0.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4896    0.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0282    0.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0489   -0.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5874    0.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5874    0.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0489    0.9657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1049    0.9656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0984   -0.2620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0670    0.9317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6117    0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1564    0.9317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1564    1.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6117    1.8752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0670    1.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7546    1.9200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0282   -0.8994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6117    2.5035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6096   -1.5946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6096   -0.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2919   -0.9184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5951   -1.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2016   -1.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5048   -0.9184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2016   -0.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5951   -0.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5048    0.1320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1112   -0.9184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5048   -1.9687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5220   -1.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1878   -1.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2137   -1.9271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5084   -0.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1498   -0.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4705   -1.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1498   -1.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5084   -1.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4702   -0.2829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1112   -1.3932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4702   -2.5035    0.0000 O   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 
  8 12  1  6  0  0  0 
  9 13  1  6  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 13  1  0  0  0  0 
 19 16  1  0  0  0  0 
  3 20  1  0  0  0  0 
 17 21  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  2  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  2  0  0  0  0 
 27 28  1  0  0  0  0 
 28 29  2  0  0  0  0 
 29 24  1  0  0  0  0 
 28 30  1  0  0  0  0 
 27 31  1  0  0  0  0 
 26 32  1  0  0  0  0 
 23 22  2  0  0  0  0 
 23 12  1  0  0  0  0 
 20 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
 33 35  2  0  0  0  0 
 34 36  2  0  0  0  0 
 36 37  1  0  0  0  0 
 37 38  2  0  0  0  0 
 38 39  1  0  0  0  0 
 39 40  2  0  0  0  0 
 40 34  1  0  0  0  0 
 37 41  1  0  0  0  0 
 38 42  1  0  0  0  0 
 39 43  1  0  0  0  0 
S  SKP  8 
ID	FL63ACNS0015 
KNApSAcK_ID	C00008875 
NAME	Epicatechin 3,5-di-O-gallate 
CAS_RN	37484-74-5 
FORMULA	C29H22O14 
EXACTMASS	594.100955412 
AVERAGEMASS	594.47658 
SMILES	c(c1)(c(c(cc1C(OC(C(c(c5)cc(c(c5)O)O)4)Cc(c3O4)c(cc(O)c3)OC(c(c2)cc(c(c2O)O)O)=O)=O)O)O)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox