Mol:FL4DACGS0004

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

FL4DACGS0004.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 31 34  0  0  0  0  0  0  0  0999 V2000
   -3.3195   -1.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6053   -1.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8912   -1.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8912   -0.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6053    0.1911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3195   -0.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1769   -1.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4627   -1.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4627   -0.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1769    0.1911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1769   -2.1766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3322    0.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0571   -0.2291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7820    0.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7820    1.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0571    1.4451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3322    1.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9375    0.1726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1793   -1.8367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5071    1.4451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6053   -2.2821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0571    2.2821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3785   -1.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9661   -1.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7593   -1.6891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5573   -1.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1890   -1.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1765   -1.4281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6345   -1.2637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7108   -1.0081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9375   -1.3295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  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  4  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  1  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  6 18  1  0  0  0  0
  8 19  1  1  0  0  0
 15 20  1  0  0  0  0
  2 21  1  0  0  0  0
 16 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  1  1  0  0  0
 27 26  1  1  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 23 29  1  0  0  0  0
 28 30  1  0  0  0  0
 27 31  1  0  0  0  0
 24 19  1  0  0  0  0
S  SKP  5
ID	FL4DACGS0004
FORMULA	C20H20O11
EXACTMASS	436.100561482
AVERAGEMASS	436.3662
SMILES	C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(O)c1)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox