Mol:FL2F1LNI0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 33  0  0  0  0  0  0  0  0999 V2000 
   -2.6416   -0.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1207   -1.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5999   -0.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5999   -0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1207   -0.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6416   -0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0790   -1.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5581   -0.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5581   -0.3386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0790   -0.0379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0377   -0.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0790   -1.7647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4966   -0.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0310   -0.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0310    0.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4966    0.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0377    0.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1625   -0.0379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5645   -0.3462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0979   -0.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6302   -0.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1625   -0.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6302   -0.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1207    0.5630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6411    0.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6411    1.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1615    1.7647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1207    1.7647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5712    0.8868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5654    0.8874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2798    0.4749    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 
  6 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 22  1  0  0  0  0 
 21 23  1  0  0  0  0 
  5 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  2  0  0  0  0 
 26 27  1  0  0  0  0 
 26 28  1  0  0  0  0 
 17 29  1  0  0  0  0 
 15 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  32 
M  SMT   1 OCH3 
M  SBV   1 32   -5.3057    4.3398 
S  SKP  8 
ID	FL2F1LNI0003 
KNApSAcK_ID	C00008462 
NAME	Euchrenone a8 
CAS_RN	130252-51-6 
FORMULA	C26H30O5 
EXACTMASS	422.20932407 
AVERAGEMASS	422.5134 
SMILES	c(c(OC)3)(CC=C(C)C)cc(c(c3)O)C(O2)CC(c(c21)ccc(O)c1CC=C(C)C)=O 
M  END