Mol:FL3FAAGS0073

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

FL3FAAGS0073.png 

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 67 73  0  0  0  0  0  0  0  0999 V2000 
   -1.3351    1.9905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3351    1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6206    0.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0938    1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0938    1.9905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6206    2.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8083    0.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5228    1.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5228    1.9905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8083    2.4030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2372    2.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9517    1.9905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6662    2.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6662    3.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9517    3.6405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2372    3.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8083   -0.0720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6206   -0.0720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.4125    3.6589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0547    2.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6982    0.6742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4661    0.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9605    1.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7226    1.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9548    1.6517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4602    0.9910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8937    1.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2490    0.2251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8330    0.2023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8943    0.8223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8937    1.7504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3871    0.8726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7093   -1.3683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4361   -1.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0052   -1.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7995   -0.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0729   -0.5467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5035   -1.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9762   -0.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1821   -1.8955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7855   -1.9338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7705   -1.4877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9762   -0.2487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4085   -1.1348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3168   -2.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7149   -2.9403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4801   -2.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1300   -2.9514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2845   -2.9556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8909   -2.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0662   -2.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6351   -2.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0287   -3.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8534   -3.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1885   -2.8904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4376    0.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7230    0.5853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1361    1.1657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3356    1.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0502    1.7787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6371    1.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3251    1.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.8943    0.5413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2299    0.2927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5460    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3251    2.1045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.8044    1.2675    0.0000 O   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 
  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 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 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 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
  3 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
 20  1  1  0  0  0  0 
 21 22  1  1  0  0  0 
 22 23  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 21  1  0  0  0  0 
 26 27  1  0  0  0  0 
 21 28  1  0  0  0  0 
 22 29  1  0  0  0  0 
 23 30  1  0  0  0  0 
 27 31  2  0  0  0  0 
 27 32  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 
 33 40  1  0  0  0  0 
 34 41  1  0  0  0  0 
 35 42  1  0  0  0  0 
 39 43  2  0  0  0  0 
 39 44  1  0  0  0  0 
 36 30  1  0  0  0  0 
 45 46  2  0  0  0  0 
 45 47  1  0  0  0  0 
 47 48  2  0  0  0  0 
 48 49  1  0  0  0  0 
 49 50  2  0  0  0  0 
 50 51  1  0  0  0  0 
 51 52  2  0  0  0  0 
 52 53  1  0  0  0  0 
 53 54  2  0  0  0  0 
 54 49  1  0  0  0  0 
 52 55  1  0  0  0  0 
 42 45  1  0  0  0  0 
 56 57  1  1  0  0  0 
 57 58  1  1  0  0  0 
 59 58  1  1  0  0  0 
 59 60  1  0  0  0  0 
 60 61  1  0  0  0  0 
 61 56  1  0  0  0  0 
 61 62  1  0  0  0  0 
 56 63  1  0  0  0  0 
 57 64  1  0  0  0  0 
 58 65  1  0  0  0  0 
 62 66  2  0  0  0  0 
 62 67  1  0  0  0  0 
 59 20  1  0  0  0  0 
 24 19  1  0  0  0  0 
S  SKP  5 
ID	FL3FAAGS0073 
FORMULA	C42H40O25 
EXACTMASS	944.1858668299999 
AVERAGEMASS	944.752 
SMILES	OC(=O)C(C1O)OC(OC(C7O)C(OC(C7O)C(O)=O)Oc(c3)ccc(C(O6)=CC(c(c56)c(cc(c5)OC(C(O)4)OC(C(O)C4O)C(O)=O)O)=O)c3)C(OC(=O)C=Cc(c2)ccc(c2)O)C1O 
M  END
Retrieved from "http://metabolomics.jp/mediawiki/index.php?title=Mol:FL3FAAGS0073&oldid=184881"
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox