Mol:FL1AUNNF0001

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

FL1AUNNF0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 25  0  0  0  0  0  0  0  0999 V2000
   -0.4396   -0.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4396    0.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9588    0.5932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4780    0.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4780   -0.3061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9588   -0.6058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306   -0.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4830   -0.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    0.4787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9248   -0.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0834    1.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6797    1.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9236    0.6946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1455    0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6642    0.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9236    0.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6642    1.2744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1455    1.2744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8861    0.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1455   -0.3885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2565   -1.2744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5281   -1.0194    0.0000 C   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
  1  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  8 10  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  4  1  0  0  0  0
 10 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 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 10 20  2  0  0  0  0
  7 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  24
M  SMT   1 OCH3
M  SBV   1 24   -4.5996    4.3146
S  SKP  8
ID	FL1AUNNF0001
KNApSAcK_ID	C00008039
NAME	Derriobtusone A
CAS_RN	61755-71-3
FORMULA	C18H12O4
EXACTMASS	292.073558872
AVERAGEMASS	292.28548
SMILES	c(c14)(occ4)ccc(c2OC)c(oc(C(=O)c(c3)cccc3)2)1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox