Mol:FL3F19GF0001

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

FL3F19GF0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 36  0  0  0  0  0  0  0  0999 V2000 
   -1.3947   -2.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7169   -1.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7169   -0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3947   -0.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0725   -0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0725   -1.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0390   -2.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6388   -1.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6388   -0.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0390   -0.6018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2927   -0.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9734   -1.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6541   -0.6156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6541    0.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9734    0.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2927    0.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0390   -2.8273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5574    0.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3358    0.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6541   -0.4694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9734    1.1989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5743    2.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1618    1.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6363    1.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4295    1.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0171    2.2674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2189    2.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0791    2.5802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3489    2.8273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0161    1.8433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5835    1.8140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3643    1.3085    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  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  3  1  0  0  0  0 
  9 11  1  0  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 
  4 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 20  1  0  0  0  0 
 20  5  1  0  0  0  0 
 15 21  1  0  0  0  0 
 22 23  1  1  0  0  0 
 23 24  1  1  0  0  0 
 25 24  1  1  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
 27 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 22 30  1  0  0  0  0 
 23 31  1  0  0  0  0 
 24 32  1  0  0  0  0 
 21 25  1  0  0  0  0 
S  SKP  8 
ID	FL3F19GF0001 
KNApSAcK_ID	C00011167 
NAME	Pongamoside A 
CAS_RN	713524-63-1 
FORMULA	C23H20O9 
EXACTMASS	440.11073223799997 
AVERAGEMASS	440.3995 
SMILES	c(c32)cc(c1c2OC(c(c4)cc(OC(C(O)5)OC(CO)C(O)C5O)cc4)=CC3=O)occ1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox