Mol:FL1DG9NS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 25  0  0  0  0  0  0  0  0999 V2000 
   -1.8390    0.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8390   -0.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2850   -0.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7310   -0.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7310    0.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2850    0.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1773   -0.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3752   -0.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9266   -0.6389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4767   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0151   -0.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5535   -0.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5535    0.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0151    0.6113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4767    0.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1773   -1.2775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2850   -1.2791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2850    1.2791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1773    0.6395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5372    0.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5265   -0.1043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8944   -0.6346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1962    0.9386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6962    1.8046    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 11  2  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 10  1  0  0  0  0 
  7 16  2  0  0  0  0 
  3 17  1  0  0  0  0 
  6 18  1  0  0  0  0 
  5 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
  2 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  1 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  23  24 
M  SBL   3  1  24 
M  SMT   3  OCH3 
M  SVB   3 24   -2.1962    0.9386 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  22 
M  SMT   2  OCH3 
M  SVB   2 22   -2.5535    -0.227 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  20 
M  SMT   1  OCH3 
M  SVB   1 20   -0.1773    0.6395 
S  SKP  8 
ID	FL1DG9NS0001 
KNApSAcK_ID	C00007945 
NAME	Dihydropedicin 
CAS_RN	169234-89-3 
FORMULA	C18H20O6 
EXACTMASS	332.125988372 
AVERAGEMASS	332.3478 
SMILES	C(c(c2O)c(c(c(c2OC)OC)O)OC)(=O)CCc(c1)cccc1 
M  END