Mol:FL3FFCGS0001

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

FL3FFCGS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 31 34  0  0  0  0  0  0  0  0999 V2000
   -0.1381   -0.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1381   -1.0886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5628   -1.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2638   -1.0886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2638   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5628    0.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9647   -1.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6656   -1.0886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6656   -0.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9647    0.1256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9647   -2.1243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3663    0.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0806   -0.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7951    0.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7951    0.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0806    1.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3663    0.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0806    2.3010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5628   -2.3010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8419    0.2494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7605    1.1067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0032    0.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2020   -0.7442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0482   -0.2956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9348   -0.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7439    0.5257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7534   -0.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7605    0.0429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0991   -0.7445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1369   -0.7068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5628    0.9549    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
  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
 16 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 20  1  0  0  0  0
 21 15  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 27  1  0  0  0  0
 27 22  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 20  1  0  0  0  0
  6 31  1  0  0  0  0
S  SKP  5
ID	FL3FFCGS0001
FORMULA	C20H18O11
EXACTMASS	434.084911418
AVERAGEMASS	434.35032
SMILES	C(O1)(Oc(c(O)2)cc(O)c(C(=O)4)c2OC(=C4)c(c3)cc(c(O)c3)O)C(O)C(C(O)C1)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox