Mol:FL5FACNS0002

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

FL5FACNS0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
   -1.9630    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9630   -0.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067   -0.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8504   -0.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8504    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067    0.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -0.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2622   -0.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2622    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941    0.7337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -1.0518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183    0.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853    0.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523    0.7336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523    1.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853    1.7156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183    1.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183   -0.5509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067   -1.1931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5191    0.7336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5191    1.7156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183   -1.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3643   -1.5412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4482   -1.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0782   -1.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4482   -2.3701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853    2.3701    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 
  8 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
  1 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
 18 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 22 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 24 26  1  0  0  0  0 
 16 27  1  0  0  0  0 
S  SKP  8 
ID	FL5FACNS0002 
KNApSAcK_ID	C00004928 
NAME	Quercetin 3-isobutyrate 
CAS_RN	102607-66-9 
FORMULA	C19H16O8 
EXACTMASS	372.08451748799996 
AVERAGEMASS	372.32554 
SMILES	c(c12)(O)cc(O)cc(OC(c(c3)cc(O)c(O)c3)=C(C2=O)OC(=O)C(C)C)1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox