Mol:FL3FACGS0020

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

FL3FACGS0020.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 41 45  0  0  0  0  0  0  0  0999 V2000
    0.6819   -1.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6819   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3257   -2.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9694   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9694   -1.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3257   -1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6133   -2.7384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2571   -2.3667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2571   -1.6233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6133   -1.2517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6133   -3.3181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9007   -1.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5569   -1.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2130   -1.2518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2130   -0.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5569   -0.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9007   -0.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0747   -1.2061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3257   -3.4804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0612   -0.0043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5569    0.7766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0868    0.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8304   -1.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6957   -1.0754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7642   -1.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1235   -0.5100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2690   -0.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0122    0.1093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5324   -0.6738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1969   -1.7878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6449    0.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6003    1.0228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6302    2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3738    1.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2391    1.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3077    1.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6671    2.0323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8124    2.1376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2816    3.4804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0612    1.8619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6931    0.6870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  0  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
 18  1  1  0  0  0  0
  3 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  1  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 27 31  1  0  0  0  0
 25 18  1  0  0  0  0
 32 31  1  0  0  0  0
 33 34  1  1  0  0  0
 34 35  1  1  0  0  0
 36 35  1  1  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 33  1  0  0  0  0
 33 39  1  0  0  0  0
 34 40  1  0  0  0  0
 35 41  1  0  0  0  0
 36 32  1  0  0  0  0
S  SKP  5
ID	FL3FACGS0020
FORMULA	C26H28O15
EXACTMASS	580.1428202259999
AVERAGEMASS	580.49152
SMILES	c(c3)(c(c(O)cc(OC(C4O)OC(COC(O5)C(O)C(C(O)C5)O)C(O)C4O)3)2)OC(=CC(=O)2)c(c1)cc(c(c1)O)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox