Mol:FL5FACGS0088

From Metabolomics.JP
Revision as of 09:00, 14 March 2009 by Editor (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

FL5FACGS0088.png 

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 64 70  0  0  0  0  0  0  0  0999 V2000 
    2.3937    3.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3937    2.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1081    1.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8226    2.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8226    3.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1081    3.6352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6792    1.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9647    2.3977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2503    1.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2503    1.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9647    0.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6792    1.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4641    2.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1786    1.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1786    1.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4641    0.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9647   -0.0772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8931    2.3977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3937    0.7478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4641   -0.0772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4144    3.5644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4511    2.0348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4570    1.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8696    0.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0761    1.1961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2778    0.9869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8651    1.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6587    1.4749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2825    0.2478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6747    0.5104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4511    1.1132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2121    1.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2735   -1.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0543   -1.3440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5184   -0.6617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2655   -0.3111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4848   -0.0436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0205   -0.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3975   -0.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3318   -0.7046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0015   -1.6773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5267   -1.6307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3694   -0.7644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4358   -3.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2567   -3.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5549   -2.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2035   -1.8242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3825   -1.7399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0843   -2.5093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5396   -2.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0767   -2.9765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2790   -3.6352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8266   -3.5441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3044   -2.3132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0027   -0.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7173   -1.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9168   -1.2284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3301   -1.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6153   -1.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4159   -1.1957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6101   -2.3636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6186   -1.5618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1139   -0.6315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6148   -0.4515    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 
 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  0  0  0  0 
 24 25  1  1  0  0  0 
 26 25  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 
 26 29  1  0  0  0  0 
 25 30  1  0  0  0  0 
 24 31  1  0  0  0  0 
 23 32  1  0  0  0  0 
 27 18  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 
 38 39  1  0  0  0  0 
 39 40  1  0  0  0  0 
 33 41  1  0  0  0  0 
 34 42  1  0  0  0  0 
 35 43  1  0  0  0  0 
 36 19  1  0  0  0  0 
 44 45  1  1  0  0  0 
 45 46  1  1  0  0  0 
 47 46  1  1  0  0  0 
 47 48  1  0  0  0  0 
 48 49  1  0  0  0  0 
 49 44  1  0  0  0  0 
 49 50  1  0  0  0  0 
 50 51  1  0  0  0  0 
 44 52  1  0  0  0  0 
 45 53  1  0  0  0  0 
 46 54  1  0  0  0  0 
 47 43  1  0  0  0  0 
 55 56  1  0  0  0  0 
 56 57  1  1  0  0  0 
 58 57  1  1  0  0  0 
 59 58  1  1  0  0  0 
 59 60  1  0  0  0  0 
 60 55  1  0  0  0  0 
 58 61  1  0  0  0  0 
 57 62  1  0  0  0  0 
 56 63  1  0  0  0  0 
 55 64  1  0  0  0  0 
 59 40  1  0  0  0  0 
S  SKP  5 
ID	FL5FACGS0088 
FORMULA	C39H50O25 
EXACTMASS	918.26411715 
AVERAGEMASS	918.7993 
SMILES	C(C(OC(O6)C(C(C(O)C6COC(C7O)OC(C(C7O)O)C)O)OC(C(O)5)OC(C(O)C5O)CO)=3)(c(c1OC3c(c4)cc(O)c(O)c4)c(cc(OC(O2)C(C(O)C(C2C)O)O)c1)O)=O 
M  END
Retrieved from "http://metabolomics.jp/mediawiki/index.php?title=Mol:FL5FACGS0088&oldid=189047"
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox