Mol:FL5FACGS0065

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

FL5FACGS0065.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 41 45  0  0  0  0  0  0  0  0999 V2000
    1.1147    3.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1147    2.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291    1.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5436    2.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5436    3.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291    3.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4002    1.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3143    2.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288    1.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0288    1.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3143    0.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4002    1.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7432    2.2976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4577    1.8851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4577    1.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7432    0.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3143   -0.0973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1722    2.2976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1147    0.6476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7432   -0.0752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1355    3.4644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1722    1.9347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5556   -2.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1957   -3.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9708   -2.7405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7821   -2.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1421   -2.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3670   -2.4323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7787   -3.5351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5414   -3.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2925   -2.9632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0430   -2.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4521   -1.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8466   -1.3760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0699   -0.5654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5321   -0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1282   -1.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3936   -0.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5732   -0.4870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1757   -1.7169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2101   -2.1305    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
 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
 38 33  1  1  0  0  0
 37 33  1  1  0  0  0
 36 38  1  1  0  0  0
 38 34  1  0  0  0  0
 39 36  1  0  0  0  0
 37 39  1  0  0  0  0
 33 35  1  0  0  0  0
 37 40  1  0  0  0  0
 40 41  1  0  0  0  0
 19 36  1  0  0  0  0
 27 34  1  0  0  0  0
S  SKP  5
ID	FL5FACGS0065
FORMULA	C26H28O15
EXACTMASS	580.1428202259999
AVERAGEMASS	580.49152
SMILES	c(c5O)c(c(c(c5)1)C(=O)C(OC(C(OC(C4O)OC(C)C(C4O)O)3)OC(C3O)CO)=C(c(c2)ccc(O)c2O)O1)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox