Mol:LBF20403PG07

From Metabolomics.JP
Jump to: navigation, search

LBF20403PG07.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 25  0  0  0  0  0  0  0  0999 V2000 
    9.0858    3.3649    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    8.7768    2.4139    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    9.5858    1.8261    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   10.3948    2.4139    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   10.0858    3.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.5858    0.8261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.8257    2.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.0826    2.7740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1315    2.4650    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    5.3884    3.1341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4373    2.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.4518    0.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.4518   -0.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.3179   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.3179   -2.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   12.1839   -2.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   12.1839   -3.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6942    3.4942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7431    3.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    3.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.3459    2.1048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.4980    4.1739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.9236    1.4868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   11.3179   -4.1739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   13.0499   -4.1739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  1  1  0  0  0  0 
  7  8  2  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 
  2  7  1  1  0  0  0 
  6 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
  9 23  1  1  0  0  0 
 16 17  1  0  0  0  0 
  3  6  1  1  0  0  0 
 11 18  2  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
  4 21  1  6  0  0  0 
  1 22  1  6  0  0  0 
 17 24  1  0  0  0  0 
 17 25  2  0  0  0  0 
S  SKP  5 
ID	LBF20403PG07 
FORMULA	C20H32O5 
EXACTMASS	352.224974134 
AVERAGEMASS	352.46508 
SMILES	C(=CC[C@H](O)C=C[C@H]([C@@H]1CC=CCCCC(O)=O)[C@@H](C[C@@H]1O)O)CC 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox