Mol:LBST04010271

From Metabolomics.JP
Jump to: navigation, search

LBST04010271.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 32  0  0  0  0  0  0  0  0999 V2000 
    5.4641    3.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    4.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    4.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    4.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    3.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    2.5548    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.8660    2.5548    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    2.8660    1.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    1.0548    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    4.5981    1.5548    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    3.7321    0.0548    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.5981   -0.4452    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    5.4641    0.0548    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    5.4641    1.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9889   -0.6143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3956   -1.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3902   -1.4233    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    5.1104   -4.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4194   -3.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7503   -3.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0593   -2.1664    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    6.0374   -1.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -0.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    2.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    5.5548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    3.0548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -0.4452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1322   -5.0196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7795   -5.5548    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  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  1  6  0  0  0 
  5  7  1  0  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 
  3 25  2  0  0  0  0 
  7 26  1  6  0  0  0 
 13 27  1  6  0  0  0 
 18 28  1  0  0  0  0 
 18 29  2  0  0  0  0 
S  SKP  5 
ID	LBST04010271 
FORMULA	C24H36O5 
EXACTMASS	404.256274262 
AVERAGEMASS	404.53964 
SMILES	C[C@@H]([C@@H](C1)[C@@](C)([C@H]4O)[C@H]([C@H](C2)[C@H](C4)[C@](C3)(C)C(=CC(C3)=O)[C@H]2O)C1)CCC(O)=O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox