Mol:LBST04030056

From Metabolomics.JP
Jump to: navigation, search

LBST04030056.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
    4.5981    4.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    5.4019    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    2.8660    4.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    3.9019    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    3.7321    3.4019    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    4.5981    3.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    3.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    2.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.9019    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    3.7321    2.4019    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    2.8660    0.9019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    3.7321    0.4019    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    4.5981    0.9019    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    4.5981    1.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1229    0.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5296   -0.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5241   -0.5762    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    4.5981    2.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -0.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1933   -1.3193    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    5.1714   -1.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8843   -2.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5534   -3.0135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2444   -3.9646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9135   -4.7077    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    4.6045   -5.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.8916   -4.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.4019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6263   -5.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2736   -6.4019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    6.4019    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  6  1  6  0  0  0 
  1  6  1  0  0  0  0 
  4  7  1  6  0  0  0 
  7  8  1  0  0  0  0 
  9  8  1  6  0  0  0 
  9 10  1  0  0  0  0 
  5 10  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 10 14  1  1  0  0  0 
 15 16  1  0  0  0  0 
 17 16  1  1  0  0  0 
 12 17  1  6  0  0  0 
 11 15  1  1  0  0  0 
  5 18  1  1  0  0  0 
 12 19  1  1  0  0  0 
 17 20  1  0  0  0  0 
 20 21  1  6  0  0  0 
 20 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 
 25 26  1  0  0  0  0 
 13 28  1  6  0  0  0 
 25 27  1  4  0  0  0 
 26 29  2  0  0  0  0 
 26 30  1  0  0  0  0 
  2 31  1  6  0  0  0 
S  SKP  5 
ID	LBST04030056 
FORMULA	C27H46O4 
EXACTMASS	434.33960995999996 
AVERAGEMASS	434.65173999999996 
SMILES	O[C@H](C4)C[C@@H](C3)[C@@](C4)(C)[C@@H](C1)[C@@H](C3)[C@H](C2)[C@]([C@@H]([C@H](C)CCCC(C(O)=O)C)C2)(C)[C@@H](O)1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox