Mol:FL2FECNS0008

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

FL2FECNS0008.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
   -2.5089    0.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5089   -0.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7944   -0.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0800   -0.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0800    0.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7944    0.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3655   -0.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3490   -0.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3490    0.3382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3655    0.7507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1075    0.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8219    0.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5364    0.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5364    1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8219    2.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1075    1.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3655   -1.6253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7944   -1.6260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1700    0.7199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8166    0.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1659    1.9646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4659   -2.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1450   -0.8540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7563   -0.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6856    1.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1664    0.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8166    0.7878    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 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  9 11  1  6  0  0  0 
 11 12  2  0  0  0  0 
 12 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 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 14 21  1  0  0  0  0 
 18 22  1  0  0  0  0 
  2 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 21 25  1  0  0  0  0 
 13 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
S  SKP  8 
ID	FL2FECNS0008 
KNApSAcK_ID	C00014137 
NAME	(2S)-5,6,7,3',4'-Pentamethoxyflavanone 
CAS_RN	104193-93-3 
FORMULA	C20H22O7 
EXACTMASS	374.136553058 
AVERAGEMASS	374.38448000000005 
SMILES	c(C(=O)1)(c3OC)c(cc(c3OC)OC)OC(c(c2)cc(c(c2)OC)OC)C1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox