Mol:FLIAAANP0008

From Metabolomics.JP
Jump to: navigation, search

FLIAAANP0008.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 28  0  0  0  0  0  0  0  0999 V2000 
   -1.7296    0.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7296   -0.4294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1733   -0.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6170   -0.4294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6170    0.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1733    0.5341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0607   -0.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4956   -0.4294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4956    0.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0607    0.5341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0517   -0.7505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0517   -1.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6464   -1.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2412   -1.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2412   -0.7505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6464   -0.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0607   -1.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2857    0.5340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8354   -1.7803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1733   -1.3927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1733    1.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7294    1.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2857    1.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2857    1.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8354    0.8591    0.0000 C   0  0  0  0  0  0  0  0  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  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  8 11  1  0  0  0  0 
 11 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 11  2  0  0  0  0 
  1  2  1  0  0  0  0 
  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
  3 20  1  0  0  0  0 
  6 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 18  1  0  0  0  0 
 23 24  1  0  0  0  0 
 23 25  1  0  0  0  0 
S  SKP  8 
ID	FLIAAANP0008 
KNApSAcK_ID	C00009908 
NAME	Crotalarin 
CAS_RN	109517-68-2 
FORMULA	C20H18O5 
EXACTMASS	338.115423686 
AVERAGEMASS	338.35392 
SMILES	c(c14)(OC=C(C4=O)c(c3)ccc(O)c3)c(C2)c(OC(C2)(C)C)cc1O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox