Mol:FL4D1CGS0002

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

FL4D1CGS0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 31 34  0  0  0  0  0  0  0  0999 V2000
   -1.5003   -1.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7918   -1.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0832   -1.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0832   -0.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7918   -0.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5003   -0.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6253   -1.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338   -1.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3338   -0.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6253   -0.0281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6253   -2.3770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1224   -0.0299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8416   -0.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5609   -0.0299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5609    0.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8416    1.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1224    0.8007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1134   -0.0465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9709   -2.0398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8416    2.0464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2801    1.2159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6160    0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9016   -0.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1282    0.6296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9016    1.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6160    1.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3894    1.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3238    2.3770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9002    2.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0513    1.5889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2801    0.1888    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
  3  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  4  1  0  0  0  0
  7 11  2  0  0  0  0
  9 12  1  6  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
  6 18  1  0  0  0  0
  8 19  1  1  0  0  0
 16 20  1  0  0  0  0
 15 21  1  0  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  1  0  0  0
 27 22  1  1  0  0  0
 26 28  1  0  0  0  0
 25 29  1  0  0  0  0
 27 30  1  0  0  0  0
 22 31  1  0  0  0  0
 23 18  1  0  0  0  0
S  SKP  5
ID	FL4D1CGS0002
FORMULA	C21H22O10
EXACTMASS	434.121296924
AVERAGEMASS	434.39338
SMILES	C(O1)(Oc(c4)cc(c2c4)OC(c(c3)cc(c(O)c3)O)C(C2=O)O)C(O)C(O)C(O)C(C)1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox