Mol:FL3FAGGS0002

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

FL3FAGGS0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 31 34  0  0  0  0  0  0  0  0999 V2000
   -4.5832   -0.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5832   -1.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8823   -1.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1812   -1.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1812   -0.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8823    0.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4801   -1.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7792   -1.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7792   -0.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4801    0.1096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4801   -2.1405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0784    0.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3638   -0.3031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3507    0.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3507    0.9344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3638    1.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0784    0.9344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8823   -2.3171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2872    0.2334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3638    2.3171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0650    1.3469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2359   -0.2869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8752   -0.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8316   -0.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0006   -1.2414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8444   -2.1109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8880   -1.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7192   -1.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9971   -0.1112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4752   -1.0133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2872   -2.2069    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
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 16 20  1  0  0  0  0
 15 21  1  0  0  0  0
 14 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 22  1  0  0  0  0
S  SKP  5
ID	FL3FAGGS0002
FORMULA	C20H18O11
EXACTMASS	434.084911418
AVERAGEMASS	434.35032
SMILES	O(C1)C(Oc(c2)c(O)c(O)cc(C(=C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)2)C(O)C(C(O)1)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox