Mol:LBF23307PG03

From Metabolomics.JP
Jump to: navigation, search

LBF23307PG03.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 29  0  0  0  0  0  0  0  0999 V2000 
    7.8959   -0.2408    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    7.5869   -1.1918    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    8.3959   -1.7796    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    9.2050   -1.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.8959   -0.2408    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    6.6359   -1.5008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4280   -2.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.3082    0.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.7149    1.4818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1271    2.2908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    7.5338    3.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.9461    4.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.3528    4.9269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.7650    5.7359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4769   -2.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2690   -3.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3179   -4.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1100   -5.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1590   -5.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1718    6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -6.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.4783    0.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.0660    1.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.3959   -2.7796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1326    2.1863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.4837    0.5683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9511   -6.3405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4158   -4.6932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   10.8850   -0.4498    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 
  1  5  1  0  0  0  0 
  3 24  1  6  0  0  0 
  2  6  1  6  0  0  0 
  6  7  1  0  0  0  0 
  1  8  1  1  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10 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 25  1  1  0  0  0 
  7 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
  5 26  1  6  0  0  0 
 14 20  1  0  0  0  0 
 19 27  1  0  0  0  0 
 19 28  2  0  0  0  0 
 27 21  1  0  0  0  0 
 26 22  1  0  0  0  0 
 22 29  2  0  0  0  0 
 22 23  1  0  0  0  0 
S  SKP  5 
ID	LBF23307PG03 
FORMULA	C23H38O6 
EXACTMASS	410.266838948 
AVERAGEMASS	410.54422 
SMILES	[C@@H]([C@@H]1C=C[C@H](CCCCC)O)(C[C@@H]([C@@H]1CC=CCCCC(=O)OC)O)OC(C)=O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox