Mol:FL5FEAGS0022

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

FL5FEAGS0022.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 45 49  0  0  0  0  0  0  0  0999 V2000 
    2.7656    2.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7656    1.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4801    1.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1946    1.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1946    2.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4801    3.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0512    1.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3367    1.9596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6222    1.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6222    0.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3367    0.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0512    0.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0923    1.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8067    1.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8067    0.7221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0923    0.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3367   -0.4087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5212    1.9596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7288    0.2873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7953    3.1314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0923   -0.3899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4729    0.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2094    0.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9501   -1.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7608   -1.9987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1236   -1.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8135   -0.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0027   -0.6503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6398   -1.3916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0936   -1.1281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5705   -1.3107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9501   -2.5185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2717   -2.1694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4964   -1.8051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2621   -1.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3114   -2.3409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0859   -1.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4975   -2.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3214   -2.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7343   -1.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5593   -1.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9714   -2.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5585   -3.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7335   -3.1967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7953   -2.4833    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 
  5 20  1  0  0  0  0 
 16 21  1  0  0  0  0 
 15 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 24 25  1  1  0  0  0 
 25 26  1  1  0  0  0 
 27 26  1  1  0  0  0 
 27 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 29 24  1  0  0  0  0 
 29 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
 24 32  1  0  0  0  0 
 25 33  1  0  0  0  0 
 26 34  1  0  0  0  0 
 35 36  2  0  0  0  0 
 35 37  1  0  0  0  0 
 37 38  2  0  0  0  0 
 38 39  1  0  0  0  0 
 39 40  2  0  0  0  0 
 40 41  1  0  0  0  0 
 41 42  2  0  0  0  0 
 42 43  1  0  0  0  0 
 43 44  2  0  0  0  0 
 44 39  1  0  0  0  0 
 42 45  1  0  0  0  0 
 31 35  1  0  0  0  0 
 27 19  1  0  0  0  0 
S  SKP  8 
ID	FL5FEAGS0022 
KNApSAcK_ID	C00013825 
NAME	6-Hydroxykaempferol 6-methyl ether 3-(6''-p-coumaroylglucoside);5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-6-methoxy-4H-1-benzopyran-4-one 
CAS_RN	235741-38-5 
FORMULA	C31H28O14 
EXACTMASS	624.147905604 
AVERAGEMASS	624.5456200000001 
SMILES	C(c(c5)ccc(O)c5)=CC(OCC(C(O)4)OC(C(C4O)O)OC(C3=O)=C(Oc(c32)cc(O)c(c2O)OC)c(c1)ccc(O)c1)=O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox