Mol:FL4DAANF0001

From Metabolomics.JP
Jump to: navigation, search

FL4DAANF0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 29  0  0  0  0  0  0  0  0999 V2000 
   -1.1070   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5861   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0652   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0652    0.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5861    0.4393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1070    0.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4556   -0.7636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9765   -0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9765    0.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4556    0.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4969    0.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4556   -1.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0313    0.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5656    0.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5656    1.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0313    1.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4969    1.0560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4969   -0.7634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0991    1.3640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5861   -1.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6790    0.3244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0326   -0.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6790   -0.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7428   -0.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0991    0.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0764   -0.7400    0.0000 C   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 
  3  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  4  1  0  0  0  0 
  9 11  1  6  0  0  0 
  7 12  2  0  0  0  0 
 11 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 11  1  0  0  0  0 
  8 18  1  1  0  0  0 
 15 19  1  0  0  0  0 
  2 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  1  1  0  0  0  0 
 22 24  1  6  0  0  0 
 24 25  1  0  0  0  0 
 24 26  2  0  0  0  0 
S  SKP  8 
ID	FL4DAANF0001 
KNApSAcK_ID	C00008614 
NAME	Shuterol 
CAS_RN	105377-76-2 
FORMULA	C20H18O6 
EXACTMASS	354.110338308 
AVERAGEMASS	354.35332 
SMILES	c(c4)c(ccc(O)4)C(C3O)Oc(c(C3=O)2)cc(O1)c(c2O)CC1C(C)=C 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox