Mol:LBF18304HP03

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

LBF18304HP03.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 24  0  0  1  0  0  0  0  0999 V2000
   -3.1464    1.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8553    1.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3465    1.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4054    1.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2159    1.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3315    1.3986    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3315    0.5743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6177    0.1622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7342    1.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1464    0.7139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1464    2.1416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7342    2.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5513    1.4132    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.5513    2.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2651    2.6496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9972    1.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4094    0.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9972    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4094   -0.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9972   -1.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4094   -2.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9972   -2.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3465    1.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4054    1.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2159    1.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
 24 25  1  0  0  0  0
  2  6  1  0  0  0  0
  6 23  1  4  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13  3  1  4  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  5 16  1  0  0  0  0
  9 22  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
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  3 23  2  0  0  0  0
  4 24  2  0  0  0  0
  5 25  2  0  0  0  0
S  SKP  5
ID	LBF18304HP03
FORMULA	C19H32O6
EXACTMASS	356.219888756
AVERAGEMASS	356.45378
SMILES	COC(=O)CCCCCCCC=CC=CC(OO)C=CC(CC)OO
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox