Mol:BMMCACXXo004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 12  0  0  1  0  0  0  0  0999 V2000 
   -1.4466   -0.1164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9336   -0.7625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -0.1606   -0.4743    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -0.1959    0.3500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -0.9906    0.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1471   -1.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6363   -0.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5186    0.7625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    1.2331    0.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7321    1.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4466   -0.4469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0488   -1.4023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  4  0  0  0 
  5  1  1  0  0  0  0 
  2  6  1  4  0  0  0 
  3  7  1  4  0  0  0 
  4  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  8 10  1  4  0  0  0 
  9 11  2  0  0  0  0 
  7 12  2  0  0  0  0 
S  SKP  6 
ID	BMMCACXXo004 
NAME	Iridodial 
FORMULA	C10H16O2 
EXACTMASS	168.115 
AVERAGEMASS	168.2328 
SMILES	O=CC(C)[C@@H](C1)[C@H](C=O)[C@@H](C)C1 
M  END