Mol:FL6D1CNS0006

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -2.1684   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1684   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6121   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0558   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0558   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6121    0.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4995   -1.1003    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    0.0568   -0.7791    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    0.0568   -0.1368    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
   -0.4995    0.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6129    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1799   -0.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7469    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7469    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1799    1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6129    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4995   -1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6129   -1.1002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7469    0.8390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7469    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3819    0.1721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1942    0.0289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4633    1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9047    2.6397    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 
  7 17  1  1  0  0  0 
  8 18  1  1  0  0  0 
 14 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
  1 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 15 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  23  24 
M  SBL   3  1  25 
M  SMT   3  OCH3 
M  SVB   3 25    1.4633    1.7424 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  23 
M  SMT   2  OCH3 
M  SVB   2 23   -2.2313    0.2334 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  21 
M  SMT   1  OCH3 
M  SVB   1 21    2.3137    1.1662 
S  SKP  8 
ID	FL6D1CNS0006 
KNApSAcK_ID	C00009000 
NAME	Fisetinidol-4beta-ol 7,3',4'-trimethyl ether 
CAS_RN	1166-05-8 
FORMULA	C18H20O6 
EXACTMASS	332.125988372 
AVERAGEMASS	332.3478 
SMILES	O(c23)[C@@H]([C@H]([C@H](c2ccc(OC)c3)O)O)c(c1)cc(OC)c(OC)c1 
M  END