Mol:FL5FADGS0020

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

FL5FADGS0020.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 43 47  0  0  0  0  0  0  0  0999 V2000
    1.7861    1.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    1.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    2.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    3.2137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005    2.8012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005    1.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    1.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    1.9762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    1.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861    1.9762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005    1.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5005    0.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861    0.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.4987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2150    1.9762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.3263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861   -0.4987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2150    3.2137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    4.0387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5103    4.4568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4680   -3.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2422   -3.5299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1709   -2.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5286   -1.9640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7545   -2.2498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8255   -3.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8648   -2.2772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1532   -4.1882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200   -4.4568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4318   -2.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3834   -2.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4756   -1.2370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9728   -0.5783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1575   -0.7060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0653   -1.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3669   -1.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5308   -1.9001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1055   -2.0678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0015   -2.7205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2508   -0.9779    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
  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
 22 23  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 29  1  0  0  0  0
 29 24  1  0  0  0  0
 26 30  1  0  0  0  0
 25 31  1  0  0  0  0
 24 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
 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
 27 43  1  0  0  0  0
S  SKP  5
ID	FL5FADGS0020
FORMULA	C27H30O16
EXACTMASS	610.153384912
AVERAGEMASS	610.5175
SMILES	c(c5O)c(c(C2=O)c(c5)OC(=C2OC(C(OC(C4O)OCC(C4O)O)3)OC(CO)C(C3O)O)c(c1)ccc(c1OC)O)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox