Mol:FL5FAAGA0045

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

FL5FAAGA0045.png 

<pre>

Copyright: ARM project http://www.metabolome.jp/
 63 69  0  0  0  0  0  0  0  0999 V2000
   -2.2462    0.9855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2462    0.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5317   -0.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172    0.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8172    0.9855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5317    1.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1028   -0.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6117    0.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6117    0.9855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1028    1.3981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1014   -1.0202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5113    1.5568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2394    1.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9676    1.5568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9676    2.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2394    2.8181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5113    2.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5317   -1.0765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7469    2.8477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9085    1.5684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4200   -0.3061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9522   -1.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -0.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4671   -1.7559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -2.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9522   -2.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7268   -2.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9351   -0.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7313   -2.8980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3885   -3.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4677   -3.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2070   -3.8015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0071   -3.0526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2070   -2.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4677   -1.9096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2537   -2.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2628   -1.4188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2070   -1.8131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7766   -2.2705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1392   -3.4218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8492   -3.6294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1639   -2.5204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5353   -2.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2084   -2.8857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5353   -1.7401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3503   -1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3503   -0.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0686    0.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0686    0.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3503    1.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6321    0.9140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6321    0.0847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3503    2.1570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4177    1.7876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7432    1.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9572    2.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7432    2.9006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4177    3.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2037    2.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2129    3.8015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7432    3.3866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8092    2.9704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0686    1.7779    0.0000 O   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
  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
  4  3  1  0  0  0  0
  1 20  1  0  0  0  0
 21  8  1  0  0  0  0
 22 23  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 22  1  0  0  0  0
 22 28  1  0  0  0  0
 26 29  1  0  0  0  0
 25 30  1  0  0  0  0
 23 21  1  0  0  0  0
 32 31  1  1  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  1  0  0  0
 36 31  1  1  0  0  0
 35 37  1  0  0  0  0
 34 38  1  0  0  0  0
 36 39  1  0  0  0  0
 31 40  1  0  0  0  0
 32 41  1  0  0  0  0
 41 30  1  0  0  0  0
 27 42  1  0  0  0  0
 29 43  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  1  0  0  0  0
 45 46  2  0  0  0  0
 46 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 47  1  0  0  0  0
 50 53  1  0  0  0  0
 55 54  1  1  0  0  0
 55 56  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  1  0  0  0
 59 54  1  1  0  0  0
 58 60  1  0  0  0  0
 57 61  1  0  0  0  0
 59 62  1  0  0  0  0
 54 63  1  0  0  0  0
 55 20  1  0  0  0  0
S  SKP  5
ID	FL5FAAGA0045
FORMULA	C42H46O21
EXACTMASS	886.253158534
AVERAGEMASS	886.8020399999999
SMILES	C(c(c7)ccc(O)c7)(O1)=C(OC(C5O)OC(COC(O6)C(C(C(O)C6C)O)O)C(C5O)OC(=O)C=Cc(c4)ccc(c4)O)C(=O)c(c2O)c(cc(OC(C(O)3)OC(C)C(O)C(O)3)c2)1
M  END

</pre>

Retrieved from "http://metabolomics.jp/mediawiki/index.php?title=Mol:FL5FAAGA0045&oldid=187906"
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox