Mol:FL5FFCGS0006

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

FL5FFCGS0006.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 35 38  0  0  0  0  0  0  0  0999 V2000
   -2.2024   -1.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2024   -2.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4879   -2.5184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7735   -2.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7735   -1.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4879   -0.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0590   -2.5184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6554   -2.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6554   -1.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0590   -0.8684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0590   -3.2351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3696   -0.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0978   -1.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8260   -0.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8260   -0.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0978    0.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3696   -0.0277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9166   -0.8686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4879   -3.1919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3696   -2.5183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0978    1.2332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5762    0.3818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4879   -0.0438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8834    2.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1900    1.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6156    0.8120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2783    0.2419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1019    0.8995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6768    1.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5342    2.5041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5762    1.8601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6388   -0.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4181    2.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6689    1.3216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9600    3.2351    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
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  8 20  1  0  0  0  0
 16 21  1  0  0  0  0
 15 22  1  0  0  0  0
  6 23  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  1  1  0  0  0
 27 26  1  1  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 24 30  1  0  0  0  0
 25 31  1  0  0  0  0
 26 32  1  0  0  0  0
 23 27  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 29 33  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  33  34  35
M  SBL   1  1  38
M  SMT   1  COOH
M  SBV   1  38   -0.2587   -0.8096
S  SKP  5
ID	FL5FFCGS0006
FORMULA	C21H18O14
EXACTMASS	494.06965528399996
AVERAGEMASS	494.35922
SMILES	C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)3)c(c(c(c3)O)1)OC(c(c2)cc(c(O)c2)O)=C(C1=O)O)O)O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox