Mol:FL3FRNNP0001

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

FL3FRNNP0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 30  0  0  0  0  0  0  0  0999 V2000 
   -1.0717   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0717    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7862    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5006    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5006   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7862   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3572   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3572   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3572    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3572    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0717    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7862    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5006    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5006    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7862    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0717    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3572   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2151    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2151    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7862   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2151    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0717   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7862   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0717   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7862   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5007   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7862   -2.4750    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 
  1  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  2  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 
 14 18  1  0  0  0  0 
 13 19  1  0  0  0  0 
 20  6  1  0  0  0  0 
  4 21  1  0  0  0  0 
  8 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 12  1  0  0  0  0 
 22 24  1  0  0  0  0 
 24 25  2  0  0  0  0 
 25 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
S  SKP  8 
ID	FL3FRNNP0001 
KNApSAcK_ID	C00013439 
NAME	(+)-Cyclochampedol;Cyclochampedol;(+)-2,3,8,10-Tetrahydroxy-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one 
CAS_RN	180845-64-1 
FORMULA	C20H16O7 
EXACTMASS	368.089602866 
AVERAGEMASS	368.33684000000005 
SMILES	c(c1O)(O)c(O4)c(C(O3)=C(C4C=C(C)C)C(=O)c(c32)c(cc(O)c2)O)cc1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox