Mol:FL2F1ANI0003

From Metabolomics.JP
Jump to: navigation, search

FL2F1ANI0003.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -1.9629   -0.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9629   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4066   -1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8503   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8503   -0.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4066   -0.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2940   -1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2623   -1.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2623   -0.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2940   -0.0489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8184   -0.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3854   -0.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9524   -0.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9524    0.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3854    0.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8184    0.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2940   -1.8774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5192   -0.0489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5192    0.9329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4066    0.5932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9627    0.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9627    1.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5188    1.8774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4066    1.8774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  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 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  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 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
 18  1  1  0  0  0  0 
 14 19  1  0  0  0  0 
  6 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
S  SKP  8 
ID	FL2F1ANI0003 
KNApSAcK_ID	C00008197 
NAME	Isobavachin 
CAS_RN	31524-62-6 
FORMULA	C20H20O4 
EXACTMASS	324.136159128 
AVERAGEMASS	324.37039999999996 
SMILES	Oc(c1)ccc(C(C2)Oc(c(CC=C(C)C)3)c(ccc3O)C(=O)2)c1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox