Mol:FLIDHXNF0005

From Metabolomics.JP
Jump to: navigation, search

FLIDHXNF0005.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 30  0  0  0  0  0  0  0  0999 V2000 
   -1.0914    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0914    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5351   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0212    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0212    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5351    1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5775   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1338    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1338    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5775    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6899   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6899   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2847   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8795   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8795   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2847    0.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5834   -0.8138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4737   -1.1571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6407    0.4865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7023    1.0347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0799    0.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7023   -0.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7220    0.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0431   -0.0411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0431    1.0711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4737    0.5150    0.0000 O   0  0  0  0  0  0  0  0  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  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  8 11  1  0  0  0  0 
 11 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 11  2  0  0  0  0 
  7 17  1  0  0  0  0 
  1  2  1  0  0  0  0 
 12 17  1  0  0  0  0 
 14 18  1  0  0  0  0 
  8 19  1  0  0  0  0 
  1 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22  2  1  0  0  0  0 
 21 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 23 25  1  0  0  0  0 
 23 26  1  0  0  0  0 
S  SKP  8 
ID	FLIDHXNF0005 
KNApSAcK_ID	C00009691 
NAME	Glyceofuran 
CAS_RN	78873-52-6 
FORMULA	C20H18O6 
EXACTMASS	354.110338308 
AVERAGEMASS	354.35332 
SMILES	c(c23)c(c1cc2OCC(O)(c54)C3Oc4cc(O)cc5)cc(o1)C(C)(C)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox