Mol:LBF20406SF04

From Metabolomics.JP
Jump to: navigation, search

LBF20406SF04.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 29  0  0  0  0  0  0  0  0999 V2000 
    8.9282    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9282    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -3.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    6.3301   -4.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    7.1961   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1961   -5.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -2.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -2.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.8660   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.0622   -7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    9.7942    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.7942    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.6603    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.6603    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.5263    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.5263    6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   12.3923    6.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   12.3923    7.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1961   -7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9282   -7.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -4.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -2.5000    0.0000 O   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  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 11  1  0  0  0  0 
  8 26  1  6  0  0  0 
  7 12  1  6  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 11 16  1  0  0  0  0 
 14 17  1  1  0  0  0 
  1 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 16 27  1  0  0  0  0 
 16 28  2  0  0  0  0 
 15 29  1  0  0  0  0 
 15 30  2  0  0  0  0 
S  SKP  5 
ID	LBF20406SF04 
FORMULA	C23H37NO5S 
EXACTMASS	439.239243989 
AVERAGEMASS	439.60962000000006 
SMILES	OC(=O)CCC[C@@H]([C@@H](C=CC=CC=CCC=CCCCCC)SC[C@H](N)C(O)=O)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox