Mol:FL5FFAGS0021

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

FL5FFAGS0021.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 34 37  0  0  0  0  0  0  0  0999 V2000
   -1.6988   -0.8299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6988   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9843   -2.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2698   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2698   -0.8299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9843   -0.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4447   -2.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1593   -1.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1593   -0.8299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4447   -0.4173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4447   -2.7107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8735   -0.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6018   -0.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3300   -0.4174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3300    0.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6018    0.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8735    0.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9843   -2.8922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3495    0.9106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3345   -0.4173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9476   -2.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9843    0.4074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4142    2.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208    1.6774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1463    1.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8090    0.6462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6327    1.3038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2074    1.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9686    2.6357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1237    2.3029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2108    0.4616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9553    2.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2955    2.8922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3495    1.6202    0.0000 C   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
 19 15  1  0  0  0  0
 20  1  1  0  0  0  0
 21  8  1  0  0  0  0
  6 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
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 31  1  0  0  0  0
 22 26  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
S  SKP  5
ID	FL5FFAGS0021
FORMULA	C22H20O12
EXACTMASS	476.095476104
AVERAGEMASS	476.387
SMILES	c(c4)(ccc(c4)C(=C3O)Oc(c(C3=O)1)c(OC(C(O)2)OCC(O)C2OC(C)=O)c(cc1O)O)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox