Mol:FL5FAAGS0133

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

FL5FAAGS0133.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 64 70  0  0  0  0  0  0  0  0999 V2000
    2.6584    3.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6584    2.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3728    1.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0873    2.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0873    3.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3728    3.6380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9439    1.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2294    2.4005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5149    1.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5149    1.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2294    0.7505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9439    1.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1995    2.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9140    1.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9140    1.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1995    0.7505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2294    0.0323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6477    2.3785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6215    0.7283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6880    3.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1995    0.0510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1914    1.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6041    1.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8106    1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0123    1.0235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5995    1.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3931    1.5115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375    0.3049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3266    0.5675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1365    1.1413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9260    1.5758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3139   -1.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1392   -1.3969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517   -0.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9410   -0.0217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1157   -0.0272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9031   -0.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3176   -0.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9221   -1.4072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079   -2.0009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7776   -1.9092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1768   -0.4281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2201   -3.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0212   -3.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241   -2.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1379   -2.0968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3368   -1.8984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9337   -2.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1773   -2.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3561   -2.8311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8248   -3.6380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4422   -3.5414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3039   -2.5642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1689   -2.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2294   -1.3822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9926   -2.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3908   -2.8404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2145   -2.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6407   -2.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4656   -2.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8642   -2.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4382   -3.5942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6134   -3.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6880   -2.9034    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
  5 20  1  0  0  0  0
 16 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 25 24  1  1  0  0  0
 26 25  1  1  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 25 28  1  0  0  0  0
 24 29  1  0  0  0  0
 23 30  1  0  0  0  0
 22 31  1  0  0  0  0
 26 18  1  0  0  0  0
 32 33  1  1  0  0  0
 33 34  1  1  0  0  0
 35 34  1  1  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 32 40  1  0  0  0  0
 33 41  1  0  0  0  0
 34 42  1  0  0  0  0
 35 19  1  0  0  0  0
 43 44  1  1  0  0  0
 44 45  1  1  0  0  0
 46 45  1  1  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 43  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 43 51  1  0  0  0  0
 44 52  1  0  0  0  0
 45 53  1  0  0  0  0
 54 55  2  0  0  0  0
 54 56  1  0  0  0  0
 56 57  2  0  0  0  0
 57 58  1  0  0  0  0
 58 59  2  0  0  0  0
 59 60  1  0  0  0  0
 60 61  2  0  0  0  0
 61 62  1  0  0  0  0
 62 63  2  0  0  0  0
 63 58  1  0  0  0  0
 61 64  1  0  0  0  0
 50 54  1  0  0  0  0
 46 42  1  0  0  0  0
S  SKP  5
ID	FL5FAAGS0133
FORMULA	C42H46O22
EXACTMASS	902.248073156
AVERAGEMASS	902.80144
SMILES	c(c1)(O6)c(C(=O)C(=C(c(c7)ccc(c7)O)6)OC(C(OC(C4O)OC(COC(=O)C=Cc(c5)ccc(O)c5)C(C4O)O)3)OC(CO)C(C3O)O)c(O)cc1OC(O2)C(O)C(O)C(C(C)2)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox