Mol:FL3FADGS0023

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

FL3FADGS0023.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 43 47  0  0  0  0  0  0  0  0999 V2000
    2.4812    1.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4812    0.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1956    0.3099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9101    0.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9101    1.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1956    1.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667    0.3099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0522    0.7224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3377    0.3099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3377   -0.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0522   -0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7667   -0.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3767    0.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0911    0.3099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0911   -0.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3767   -0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0522   -1.6459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8057    0.7224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3767   -1.6135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6157    1.9490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6304    0.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2116    0.7258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5184    1.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1059    0.5336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3078    0.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5145    0.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9270    1.2305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7251    1.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0250    1.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7715    1.5513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1444    1.0937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6974    0.6881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8090    0.0984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3080   -0.6477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7205   -1.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9272   -1.1355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1292   -1.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7166   -0.6302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5099   -0.8569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1132   -1.9599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2783   -1.7592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2116   -1.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0217   -0.7306    0.0000 C   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
 16 19  1  0  0  0  0
  5 20  1  0  0  0  0
  4 21  1  0  0  0  0
 21 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
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 23 31  1  0  0  0  0
 24 32  1  0  0  0  0
 25 33  1  0  0  0  0
 26 18  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  1  0  0  0
 37 36  1  1  0  0  0
 38 37  1  1  0  0  0
 38 39  1  0  0  0  0
 39 34  1  0  0  0  0
 37 40  1  0  0  0  0
 36 41  1  0  0  0  0
 35 42  1  0  0  0  0
 34 43  1  0  0  0  0
 38 33  1  0  0  0  0
S  SKP  5
ID	FL3FADGS0023
FORMULA	C28H32O15
EXACTMASS	608.174120354
AVERAGEMASS	608.54468
SMILES	c(c1)c(C(O5)=CC(=O)c(c54)c(cc(c4)OC(O3)C(C(C(O)C3CO)O)OC(O2)C(O)C(C(C2C)O)O)O)cc(c1O)OC
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox