Mol:LBF20406LT11

From Metabolomics.JP
Jump to: navigation, search

LBF20406LT11.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 24  0  0  0  0  0  0  0  0999 V2000 
    5.4641   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -4.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    4.5981   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622    1.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    8.0622    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9282    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9282    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.7942    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.7942    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.6603    5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.6603    6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.5263    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9282    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   11.5263    8.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -6.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -8.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  1  1  0  0  0  0 
  3  2  1  0  0  0  0 
  4  3  1  0  0  0  0 
  5  4  1  0  0  0  0 
  2 21  1  6  0  0  0 
  1  6  2  0  0  0  0 
  6  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 11  1  0  0  0  0 
 11 12  1  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  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
  5 20  1  0  0  0  0 
 11 22  1  1  0  0  0 
 19 23  1  0  0  0  0 
 20 24  1  0  0  0  0 
 20 25  2  0  0  0  0 
S  SKP  5 
ID	LBF20406LT11 
FORMULA	C20H32O5 
EXACTMASS	352.224974134 
AVERAGEMASS	352.46508 
SMILES	C(CCC=CC[C@H](C=CC=CC=C[C@H](CCCC(O)=O)O)O)CCO 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox