Mol:FL5FACGS0061

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

FL5FACGS0061.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 31 34  0  0  0  0  0  0  0  0999 V2000
    1.1147    2.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1147    1.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291    1.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5436    1.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5436    2.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291    3.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4002    1.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3143    1.7747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288    1.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288    0.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3143    0.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4002    0.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7432    1.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4577    1.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4577    0.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7432    0.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3080   -0.5869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1722    1.7747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1147    0.1247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7418   -0.5573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1355    2.9414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1722    1.4118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1415   -2.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6557   -2.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6617   -1.4354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0872   -0.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2900   -0.9408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2839   -1.7658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3914   -1.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1759   -3.0122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6664   -2.2257    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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 10  1  0  0  0  0
 14 18  1  0  0  0  0
 11 17  2  0  0  0  0
 12 19  1  0  0  0  0
 16 20  1  0  0  0  0
  5 21  1  0  0  0  0
  4 22  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  1  1  0  0  0
 26 25  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 23  1  0  0  0  0
 25 29  1  0  0  0  0
 24 30  1  0  0  0  0
 23 31  1  0  0  0  0
 19 26  1  0  0  0  0
S  SKP  5
ID	FL5FACGS0061
FORMULA	C20H18O11
EXACTMASS	434.084911418
AVERAGEMASS	434.35032
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