Mol:FL3FAANI0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 32  0  0  0  0  0  0  0  0999 V2000 
   -1.9785    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9785   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4222   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8659   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8659    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4222    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3096   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2467   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2467    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3096    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3096   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8028    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3698    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9368    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9368    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3698    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8028    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5346    0.4723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4222   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5346   -0.8121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0907   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6456   -0.8114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2005   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6456   -1.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5036    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5036    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0692    0.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6348    0.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2005    0.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6348   -0.5080    0.0000 C   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  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 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 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
  2 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
 15 25  1  0  0  0  0 
 14 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  2  0  0  0  0 
 28 29  1  0  0  0  0 
 28 30  1  0  0  0  0 
S  SKP  8 
ID	FL3FAANI0001 
KNApSAcK_ID	C00004017 
NAME	Gancaonin Q 
CAS_RN	134958-52-4 
FORMULA	C25H26O5 
EXACTMASS	406.178023942 
AVERAGEMASS	406.47094 
SMILES	O=C(C=2)c(c(OC2c(c3)cc(c(c3)O)CC=C(C)C)1)c(c(CC=C(C)C)c(O)c1)O 
M  END