Mol:FL3FAACS0087

From Metabolomics.JP
Jump to: navigation, search

FL3FAACS0087.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 42 46  0  0  0  0  0  0  0  0999 V2000 
    2.2877   -0.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5732   -0.2823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8587   -0.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8587   -1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5732   -1.9323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2877   -1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1443   -0.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5702   -0.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5702   -1.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1443   -1.9323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5732   -2.5043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0891   -0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8035   -0.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5180   -0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5180    0.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8035    1.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0891    0.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2015    0.9875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1443   -2.7023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2607   -0.2961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3692    2.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8577    1.7889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3453    1.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2341    0.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2545    0.9893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2578    1.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2155    2.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0059    2.7023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8577    2.4137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2155    2.6279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0528    0.5218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0399    1.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7478    1.7704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4686    1.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4816    0.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7737    0.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7866   -0.7032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.2015    0.1436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.1756    1.7923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3200    1.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3070    2.5712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6130    1.3243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  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  1  0  0  0  0 
  6  1  2  0  0  0  0 
  3  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  4  1  0  0  0  0 
  5 11  2  0  0  0  0 
  1 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  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 12  1  0  0  0  0 
 15 18  1  0  0  0  0 
 10 19  1  0  0  0  0 
  8 20  1  0  0  0  0 
 21 22  1  1  0  0  0 
 22 23  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 21  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 30  1  0  0  0  0 
 21 28  1  0  0  0  0 
 22 29  1  0  0  0  0 
  7 24  1  0  0  0  0 
 31 32  2  0  0  0  0 
 32 33  1  0  0  0  0 
 33 34  2  0  0  0  0 
 34 35  1  0  0  0  0 
 35 36  2  0  0  0  0 
 36 31  1  0  0  0  0 
 36 37  1  0  0  0  0 
 35 38  1  0  0  0  0 
 34 39  1  0  0  0  0 
 32 40  1  0  0  0  0 
 40 41  2  0  0  0  0 
 40 42  1  0  0  0  0 
 42 23  1  0  0  0  0 
S  SKP  8 
ID	FL3FAACS0087 
KNApSAcK_ID	C00014088 
NAME	Vitexin 2''-O-gallate 
CAS_RN	267883-59-0 
FORMULA	C28H24O14 
EXACTMASS	584.116605476 
AVERAGEMASS	584.48176 
SMILES	C(C(c(c(O)5)c(O3)c(c(c5)O)C(=O)C=C3c(c4)ccc(c4)O)2)(C(O)C(O)C(CO)O2)OC(=O)c(c1)cc(O)c(O)c1O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox