Mol:FLIFUNNF0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 32  0  0  0  0  0  0  0  0999 V2000 
   -1.6628   -0.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9768    0.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9768    0.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6628    1.2201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3489    0.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3489    0.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3761    1.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2357   -0.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4801    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2357   -1.0907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1343   -0.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7885    0.0172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7885    0.7726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1343    1.1503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4801    0.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1343   -1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7885   -1.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4428   -1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4428   -0.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9518   -1.4099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6031   -1.4099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7885   -2.0836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4734   -2.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6628    2.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3640    2.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0652    2.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0652    1.2201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4114    2.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6031    1.7192    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 
  2  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  8 10  2  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15  9  1  0  0  0  0 
 11 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 12  1  0  0  0  0 
 18 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 17 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  4 24  1  0  0  0  0 
 24 25  2  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27  5  1  0  0  0  0 
 26 28  1  0  0  0  0 
 26 29  1  0  0  0  0 
S  SKP  8 
ID	FLIFUNNF0001 
KNApSAcK_ID	C00011149 
NAME	7a-O-Methyldeguelol 
CAS_RN	851606-54-7 
FORMULA	C23H24O6 
EXACTMASS	396.1572885 
AVERAGEMASS	396.43306 
SMILES	c(c2)c(C(C(C3)c(c4)c(cc(OC)c4OC)OC3)=O)c(O)c(c12)C=CC(O1)(C)C 
M  END