Mol:FL5FCFGSS001

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

FL5FCFGSS001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 29 31  0  0  0  0  0  0  0  0999 V2000
    1.7862   -0.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    1.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    1.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    1.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006    0.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.3121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717   -0.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572   -0.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862    0.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -0.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -0.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -2.1629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    0.3121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -1.3379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -2.1629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    1.5496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    2.3746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9284    1.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9284   -0.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -2.1118    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -2.7871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6630   -2.1118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5871   -2.1118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    2.7871    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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 10  1  0  0  0  0
 14 18  1  0  0  0  0
 11 17  2  0  0  0  0
 12 19  1  0  0  0  0
 16 20  1  0  0  0  0
  5 21  1  0  0  0  0
  4 22  1  0  0  0  0
 21 23  1  0  0  0  0
 18 24  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  2  0  0  0  0
 25 19  1  0  0  0  0
 22 29  1  0  0  0  0
S  SKP  8
ID	FL5FCFGSS001
KNApSAcK_ID	C00013938
NAME	Quercetin 7,3',4'-trimethyl ether 3-sulfate;2-(3,4-dimethoxyphenyl)-5-hydroxy-7-methoxy-3-(sulfooxy)-4H-1-Benzopyran-4-one
CAS_RN	221662-11-9
FORMULA	C18H16O10S
EXACTMASS	424.046417422
AVERAGEMASS	424.37964
SMILES	c(c12)(O)cc(OC)cc(OC(c(c3)cc(OC)c(OC)c3)=C(OS(O)(=O)=O)C2=O)1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox