Mol:LBF12000BC10

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

LBF12000BC10.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 15 14  0  0  1  0  0  0  0  0999 V2000
   -0.4235    0.9301    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4235    1.9178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9734    0.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5623    0.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9734    1.6421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9734    0.2182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0378    0.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4489    0.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0378   -0.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4489   -1.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0378   -1.9178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2601   -0.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6712    0.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4933    0.2182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9044    0.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  4  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  1  7  1  0  0  0  0
  4 11  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
  1 12  1  0  0  0  0
  3 15  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
S  SKP  5
ID	LBF12000BC10
FORMULA	C13H26O2
EXACTMASS	214.19328007599998
AVERAGEMASS	214.34433999999996
SMILES	CCCCCC(C)CCCCCC(O)=O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox