Mol:FL3FECNSS005

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

FL3FECNSS005.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 31 33  0  0  0  0  0  0  0  0999 V2000
   -2.0165   -0.8088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0165   -1.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5654   -1.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1143   -1.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1143   -0.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5654   -0.5896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6633   -1.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2122   -1.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2122   -0.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6633   -0.5896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4916   -1.9992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2387   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6984   -0.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1581   -0.5897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1581   -0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6984    0.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2387   -0.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6984    0.8103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5654   -2.1511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5312   -0.3707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6863    1.5661    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2021    1.5661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6863    2.1511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0048    1.5661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7309    0.3286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1094    0.3286    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1094    0.8105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5938    0.3286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1094   -0.2216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7309   -1.2183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7088   -1.0094    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
 16 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 20  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
 18 21  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 29  2  0  0  0  0
 28 15  1  0  0  0  0
  2 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  30  31
M  SBL   1  1  32
M  SMT   1  OCH3
M  SVB   1 32   -2.7309   -1.2183
S  SKP  8
ID	FL3FECNSS005
KNApSAcK_ID	C00004402
NAME	6-Methoxyluteolin 3',4'-disulfate
CAS_RN	111509-40-1
FORMULA	C16H12O13S2
EXACTMASS	475.97193185000003
AVERAGEMASS	476.39068000000003
SMILES	COc(c(O)3)c(O)c(C(=O)2)c(c3)OC(=C2)c(c1)cc(OS(O)(=O)=O)c(c1)OS(O)(=O)=O
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox