Mol:FL6D1CNS0007

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -2.1684   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1684   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6121   -1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0558   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0558   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6121    0.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4995   -1.1349    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    0.0568   -0.8137    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    0.0568   -0.1713    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -0.4995    0.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6129    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1799   -0.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7469    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7469    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1799    1.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6129    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7469    0.8044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7469    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9228   -1.3137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7888   -1.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3818    0.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1942   -0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9359   -1.2954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2214   -1.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4633    1.7079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9047    2.6052    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  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  9 11  1  6  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
 14 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
  8 19  1  1  0  0  0 
 19 20  1  0  0  0  0 
  1 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  7 23  1  1  0  0  0 
 23 24  1  0  0  0  0 
 15 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   5 SUP 
M  SLB  1   5   5 
M  SAL   5  2  25  26 
M  SBL   5  1  27 
M  SMT   5  OCH3 
M  SVB   5 27    1.4633    1.7079 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  23  24 
M  SBL   4  1  25 
M  SMT   4  OCH3 
M  SVB   4 25   -0.9359   -1.2954 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  21  22 
M  SBL   3  1  23 
M  SMT   3  OCH3 
M  SVB   3 23   -2.2313    0.1988 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  19  20 
M  SBL   2  1  21 
M  SMT   2  OCH3 
M  SVB   2 21    0.2557   -1.0199 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  17  18 
M  SBL   1  1  19 
M  SMT   1  OCH3 
M  SVB   1 19    2.3137    1.1317 
S  SKP  8 
ID	FL6D1CNS0007 
KNApSAcK_ID	C00009001 
NAME	Fisetinidol-4beta-ol 3,4,7,3',4'-pentamethyl ether 
CAS_RN	77292-34-3 
FORMULA	C20H24O6 
EXACTMASS	360.1572885 
AVERAGEMASS	360.40096 
SMILES	c(c1)c(OC)c(cc1[C@H]([C@H]2OC)Oc(c3)c(ccc3OC)[C@@H]2OC)OC 
M  END