Mol:LBST04010398

From Metabolomics.JP
Jump to: navigation, search

LBST04010398.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 31  0  0  0  0  0  0  0  0999 V2000 
    5.4641    3.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    4.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    5.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    4.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    3.5548    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    4.5981    3.0548    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.8660    3.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    2.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.5548    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    4.5981    2.0548    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    3.7321    0.5548    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.5981    0.0548    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    5.4641    0.5548    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    5.4641    1.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9889   -0.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3956   -1.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3902   -0.9233    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    5.1104   -4.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4194   -3.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7503   -2.6175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0593   -1.6664    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    6.0374   -1.4585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -0.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    2.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    0.0548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    1.5548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1322   -4.5196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7795   -5.0548    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 
  5  4  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  1  6  0  0  0 
  5  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 
  6 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 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 17 21  1  0  0  0  0 
 11 15  1  1  0  0  0 
 21 22  1  6  0  0  0 
 12 23  1  1  0  0  0 
  6 24  1  1  0  0  0 
 13 25  1  6  0  0  0 
  8 26  2  0  0  0  0 
 18 27  1  0  0  0  0 
 18 28  2  0  0  0  0 
S  SKP  5 
ID	LBST04010398 
FORMULA	C24H38O4 
EXACTMASS	390.27700970399997 
AVERAGEMASS	390.55611999999996 
SMILES	C(C(=O)4)[C@@H]([C@@](C)([C@H]([C@H]24)C[C@H](O)[C@]([C@@H]([C@H](C)CCC(O)=O)3)([C@H]2CC3)C)1)CCCC1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox