Mol:FL1C1ANI0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 24  0  0  0  0  0  0  0  0999 V2000 
   -0.8085    0.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8085   -0.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2522   -0.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3041   -0.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3041    0.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2522    0.9194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8604   -0.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4167   -0.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9728   -0.3652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5289   -0.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0899   -0.3681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6509   -0.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6509    0.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0899    0.9275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5289    0.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8604   -0.8667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2522   -1.0077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5399    1.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9836    0.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0960    0.6866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6509    1.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0960    0.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4275    1.0076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  4  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 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 
 17  3  1  0  0  0  0 
 18 19  1  0  0  0  0 
 18 20  2  0  0  0  0 
 20 21  1  0  0  0  0 
 20 22  1  0  0  0  0 
 19 23  1  0  0  0  0 
  1 23  1  0  0  0  0 
S  SKP  8 
ID	FL1C1ANI0003 
KNApSAcK_ID	C00007053 
NAME	Derricidin 
CAS_RN	38965-74-1 
FORMULA	C20H20O3 
EXACTMASS	308.141244506 
AVERAGEMASS	308.371 
SMILES	c(c(C(=O)C=Cc(c2)cccc2)1)cc(cc(O)1)OCC=C(C)C 
M  END