Mol:FL3FACCS0061

From Metabolomics.JP
Jump to: navigation, search

FL3FACCS0061.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 44 48  0  0  0  0  0  0  0  0999 V2000 
    2.7542   -0.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0397   -0.3373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3253   -0.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3253   -1.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0397   -1.9873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7542   -1.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6108   -0.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1037   -0.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1037   -1.5748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6108   -1.9873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0397   -2.5594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5556   -0.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2700   -0.6996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9845   -0.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9845    0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2700    0.9504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5556    0.5379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.6680    0.9325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6108   -2.7573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7942   -0.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.6460   -0.6691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3772    2.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2018    1.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2125    1.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2051    0.2931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7842    0.8812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3700    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8929    1.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2172    2.7573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2018    2.3921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5666    1.1295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0912    2.5246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1344    1.8352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7224    2.5487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9582    1.8352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3702    1.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1941    1.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6066    1.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4316    1.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.8441    1.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4316    0.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6066    0.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.6680    1.1217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.8435    2.5497    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 
 14 21  1  0  0  0  0 
 22 23  1  1  0  0  0 
 23 24  1  1  0  0  0 
 25 24  1  1  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
 27 28  1  0  0  0  0 
 22 29  1  0  0  0  0 
 23 30  1  0  0  0  0 
 31 24  1  0  0  0  0 
 32 28  1  0  0  0  0 
  7 25  1  0  0  0  0 
 33 34  2  0  0  0  0 
 33 35  1  0  0  0  0 
 35 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 41  1  0  0  0  0 
 41 42  2  0  0  0  0 
 42 37  1  0  0  0  0 
 40 43  1  0  0  0  0 
 39 44  1  0  0  0  0 
 31 33  1  0  0  0  0 
S  SKP  8 
ID	FL3FACCS0061 
KNApSAcK_ID	C00014103 
NAME	Orientin 2''-O-caffeate 
CAS_RN	220726-08-9 
FORMULA	C30H26O14 
EXACTMASS	610.13225554 
AVERAGEMASS	610.51904 
SMILES	O(C1c(c5O)c(c4c(c5)O)OC(=CC4=O)c(c3)cc(c(O)c3)O)C(CO)C(O)C(C1OC(=O)C=Cc(c2)ccc(O)c2O)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox