Mol:FL5FDCGS0009

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

FL5FDCGS0009.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 42 46  0  0  0  0  0  0  0  0999 V2000
   -1.5036   -0.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5036   -1.5340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7889   -1.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0742   -1.5340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0742   -0.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7889   -0.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6405   -1.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3552   -1.5340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3552   -0.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6405   -0.2961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6405   -2.5901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0697   -0.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7981   -0.7168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5266   -0.2963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5266    0.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7981    0.9654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0697    0.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1599   -0.3298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2283    0.9918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8036    1.5979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6496    2.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7479    1.9880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4761    1.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0536    1.5508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8773    2.2086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1986    2.2344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0959    2.7664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250    2.2965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7768    1.1264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5579   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8831   -0.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0972    0.2679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8831    1.0216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5579    1.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3438    0.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2627    2.0609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8526    1.6139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9081    1.1120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2283   -0.1235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7889   -2.7716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1034   -1.9660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2161   -2.6082    0.0000 C   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
  3  4  1  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
  1 18  1  0  0  0  0
 19 15  1  0  0  0  0
 16 20  1  0  0  0  0
 21 22  1  1  0  0  0
 22 23  1  1  0  0  0
 24 23  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 20 24  1  0  0  0  0
 31 30  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  1  0  0  0
 35 30  1  1  0  0  0
 34 36  1  0  0  0  0
 33 37  1  0  0  0  0
 35 38  1  0  0  0  0
 30 39  1  0  0  0  0
 31 18  1  0  0  0  0
  3 40  1  0  0  0  0
 41 42  1  0  0  0  0
  8 41  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  41  42
M  SBL   1  1  46
M  SMT   1  OCH3
M  SBV   1  46   -0.7482    0.4320
S  SKP  5
ID	FL5FDCGS0009
FORMULA	C27H30O15
EXACTMASS	594.15847029
AVERAGEMASS	594.5181
SMILES	c(C(=C(OC)3)Oc(c4)c(c(O)cc4OC(C(O)5)OC(C)C(O)C5O)C3=O)(c1)ccc(O)c1OC(O2)C(O)C(O)C(O)C2
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox