Mol:6-Methoxymellein

 
 
Copyright: ARM project http://www.metabolomics.jp/ 
 15 16  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 
   -0.3572   -1.2375    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    0.0000    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 
    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 
    1.7862    0.0000    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 
   -0.3572    1.2375    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 
    1.0717    1.2375    0.0000 O   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   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0 
  2  3  1  0 
  3  4  2  0 
  4  5  1  0 
  5  6  2  0 
  6  1  1  0 
  4  7  1  0 
  7  8  1  0 
  8  9  1  0 
  9 10  1  0 
 10  5  1  0 
  6 11  1  0 
  2 12  1  0 
 10 13  2  0 
  8 14  1  0 
 12 15  1  0 
S  SKP  9 
AUTODRAW	FALSE 
ID	6-Methoxymellein 
KNApSAcK_ID	C00003004 
NAME	6-Methoxymellein 
CAS_RN	13410-15-6;6803-02-7 
FORMULA	C11H12O4 
EXACTMASS	208.07355887199998 
AVERAGEMASS	208.21058000000002 
SMILES	COc(c1)cc(C2)c(C(=O)OC(C)2)c(O)1 
M  END