Mol:093f FLIJ

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 32  0  0  0  0  0  0  0  0999 V2000 
   -2.1434    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1434   -0.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4290   -1.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7145   -0.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7145    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4290    0.6189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0000   -1.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7144   -0.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7144    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0000    0.6189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4290    1.4435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8578    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8578   -1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8578   -1.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5723   -2.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2868   -1.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5723   -3.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7146    1.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7146    2.6810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4290    3.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0001    3.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4289   -1.0310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1434   -0.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8578   -1.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5723   -0.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5723    0.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8578    0.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1434    0.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8578   -1.8560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2868    0.6190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  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 
  1  2  2  0 
  6 11  1  0 
  1 12  1  0 
  2 13  1  0 
 13 14  1  0 
 14 15  2  0 
 15 16  1  0 
 15 17  1  0 
 11 18  1  0 
 18 19  2  0 
 19 20  1  0 
 19 21  1  0 
  8 22  1  0 
 22 23  1  0 
 23 24  1  0 
 24 25  2  0 
 25 26  1  0 
 26 27  2  0 
 27 28  1  0 
 28 23  2  0 
 24 29  1  0 
 26 30  1  0 
S  SKP  5 
ID	093f FLIJ 
FORMULA	C25H30O5 
EXACTMASS	410.20932407 
AVERAGEMASS	410.5027 
SMILES	CC(C)=CCc(c1)c(O)c(CC=C(C)C)c(O3)c(CC(C3)Oc(c2)c(O)cc(O)c2)1 
M  END