Mol:FL5FACGS0062

From Metabolomics.JP
Revision as of 09:00, 14 March 2009 by Editor (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

FL5FACGS0062.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
    2.1364    1.7497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1364    0.9247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8509    0.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5654    0.9247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5654    1.7497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8509    2.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4220    0.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7075    0.9247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0070    0.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0070   -0.3128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7075   -0.7253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4220   -0.3128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7214    0.9247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4359    0.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4359   -0.3128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7214   -0.7253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7075   -1.5503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1504    0.9247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1364   -0.7253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7214   -1.5503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1573    2.0914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1939    0.5618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5222   -1.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1096   -1.7549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3112   -1.5457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5177   -1.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9303   -1.0578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7287   -1.2669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1231   -0.7394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1939   -1.2610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8488   -1.6351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7659   -2.1622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8083   -0.1942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6412   -0.7394    0.0000 O   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 
 23 24  1  1  0  0  0 
 24 25  1  1  0  0  0 
 26 25  1  1  0  0  0 
 26 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
 28 23  1  0  0  0  0 
 28 29  1  0  0  0  0 
 23 30  1  0  0  0  0 
 24 31  1  0  0  0  0 
 25 32  1  0  0  0  0 
 29 33  2  0  0  0  0 
 29 34  1  0  0  0  0 
 26 20  1  0  0  0  0 
S  SKP  5 
ID	FL5FACGS0062 
FORMULA	C21H18O13 
EXACTMASS	478.07474066199995 
AVERAGEMASS	478.35982 
SMILES	C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c21)cc(O)cc1OC(c(c3)cc(c(O)c3)O)=C(C2=O)O)O)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox