Mol:LBF30000BC01

From Metabolomics.JP
Revision as of 09:00, 7 October 2008 by Editor (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

LBF30000BC01.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 33 32  0  0  1  0  0  0  0  0999 V2000
   -4.5073    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9243    1.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3412    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7582    1.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1738    0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5909    1.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0079    0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4249    1.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1582    0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7412    1.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3241    0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9071    1.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4901    0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0732    1.4066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7909    0.9928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7937    0.1650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5073    1.4080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5073    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9243   -0.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3412    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7582   -0.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1752    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5923   -0.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0093    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4262   -0.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1568    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7398   -0.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3227    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9057   -0.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4888    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0718   -0.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0718   -1.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2038    0.4125    0.0000 C   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  0  0  0  0
  7  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  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
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 18  1  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 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
 26 27  1  0  0  0  0
 28 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 30 33  1  4  0  0  0
S  SKP  5
ID	LBF30000BC01
FORMULA	C31H62O2
EXACTMASS	466.47498122800005
AVERAGEMASS	466.82278
SMILES	C(CCCCCC(O)=O)CCCCCCCCCCCCCCCCCCCCC(C)CC
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox