Mol:FL63AAGS0001

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

FL63AAGS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 29 32  0  0  0  0  0  0  0  0999 V2000
   -2.9769    0.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9769   -0.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2624   -1.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5480   -0.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5480    0.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2624    0.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8337   -1.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1192   -0.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1192    0.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8337    0.6127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5952    0.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3156    0.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0360    0.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0360    1.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3156    1.8603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5952    1.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7255    1.8425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6913    0.6127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5952   -1.0373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2624   -1.8603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6836   -0.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3135   -1.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0249   -0.9433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7408   -1.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1108   -0.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3993   -0.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1422   -0.6088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7967   -0.2855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6913   -0.6623    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  1  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
 17 14  1  0  0  0  0
  1 18  1  0  0  0  0
  8 19  1  0  0  0  0
  3 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  1  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 21 27  1  0  0  0  0
 26 28  1  0  0  0  0
 22 19  1  0  0  0  0
 25 29  1  0  0  0  0
S  SKP  5
ID	FL63AAGS0001
FORMULA	C20H22O9
EXACTMASS	406.126382302
AVERAGEMASS	406.38328
SMILES	c(c4)c(ccc(O)4)C(C(OC(O3)C(O)C(C(O)C3)O)1)Oc(c2)c(c(cc(O)2)O)C1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox