Mol:FL2FALNI0020

From Metabolomics.JP
Jump to: navigation, search

FL2FALNI0020.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
   -1.5627   -1.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0418   -1.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5209   -1.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5209   -0.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0418   -0.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5627   -0.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0001   -1.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5208   -1.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5208   -0.7512    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.0001   -0.4505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0412   -0.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0001   -2.1773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5756   -0.7593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1099   -0.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1099    0.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5756    0.4747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0412    0.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0418   -2.2543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0418    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5627    0.4517    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -2.0836    0.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0836   -0.4505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6443    0.4747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5023    0.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5627    1.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0831    1.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0831    1.9539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6034    2.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5627    2.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6443    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6840    0.7850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1841    1.6511    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 
  3  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  4  1  0  0  0  0 
  9 11  1  0  0  0  0 
  7 12  2  0  0  0  0 
 11 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 17  2  0  0  0  0 
 17 11  1  0  0  0  0 
  2 18  1  0  0  0  0 
  5 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 22  6  1  0  0  0  0 
 15 23  1  0  0  0  0 
 21 24  1  0  0  0  0 
 20 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 21 22  1  0  0  0  0 
 26 27  2  0  0  0  0 
 27 28  1  0  0  0  0 
 27 29  1  0  0  0  0 
 21 30  1  0  0  0  0 
 17 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  34 
M  SMT   1  OCH3 
M  SVB   1 34     0.684     0.785 
S  SKP  8 
ID	FL2FALNI0020 
KNApSAcK_ID	C00008523 
NAME	Leachianone B 
CAS_RN	138870-83-4 
FORMULA	C26H30O6 
EXACTMASS	438.204238692 
AVERAGEMASS	438.51279999999997 
SMILES	C(C=C(C)C)C(C(C)(C)1)Cc(c42)c(cc(O)c2C(CC(O4)c(c3OC)ccc(c3)O)=O)O1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox