Mol:LBF22307PG04

From Metabolomics.JP
Jump to: navigation, search

LBF22307PG04.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 27  0  0  0  0  0  0  0  0999 V2000 
    6.9449   -0.7998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    6.6359   -1.7508    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    7.4449   -2.3386    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    8.2539   -1.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.9449   -0.7998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
    6.3571    0.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.6848   -2.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.7638    0.9228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.1761    1.7318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.5828    2.6453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.9950    3.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.4017    4.3679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.8140    5.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4769   -3.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5258   -3.3470    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    4.3179   -4.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3669   -4.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1590   -5.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2079   -5.9213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -6.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.2207    6.0905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    7.2152    6.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.6329    6.8995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    8.5327    0.0092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.4449   -3.3386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7827   -2.6779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8194    5.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  5  1  1  0  0  0  0 
  1  6  1  1  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 24  1  1  0  0  0 
  3 25  1  1  0  0  0 
  2  7  1  6  0  0  0 
  6  8  1  0  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 
  7 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 15 26  1  1  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 13 21  1  0  0  0  0 
 13 27  2  0  0  0  0 
 21 22  1  0  0  0  0 
 21 23  1  0  0  0  0 
S  SKP  5 
ID	LBF22307PG04 
FORMULA	C22H39NO4 
EXACTMASS	381.28790874099997 
AVERAGEMASS	381.5494 
SMILES	C(CCCC)[C@H](C=C[C@H]([C@H]1CC=CCCCC(N(C)C)=O)[C@@H](C[C@H](O)1)O)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox