Mol:FL5FDDNI0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 31  0  0  0  0  0  0  0  0999 V2000 
   -0.8250   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8250   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2687   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2876   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2876   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2687    0.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8439   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4002   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4002   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8439    0.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8439   -1.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9563    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5232   -0.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0902    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0902    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5232    1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9563    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3819    0.2138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2687   -1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0902    0.8390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9633   -0.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5195    0.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1008   -0.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6570    0.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1260   -0.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2662   -1.2791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1323   -1.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8066    1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2480    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  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 
 18  1  1  0  0  0  0 
  3 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
 18 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 23 25  1  0  0  0  0 
  8 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 16 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  28  29 
M  SBL   2  1  30 
M  SMT   2  OCH3 
M  SVB   2 30    2.8066    1.7424 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  26  27 
M  SBL   1  1  28 
M  SMT   1  OCH3 
M  SVB   1 28    1.6104   -0.9641 
S  SKP  8 
ID	FL5FDDNI0003 
KNApSAcK_ID	C00005008 
NAME	5,4'-Dihydroxy-3,3'-dimethoxy-7-prenyloxyflavone 
CAS_RN	53766-24-8 
FORMULA	C22H22O7 
EXACTMASS	398.136553058 
AVERAGEMASS	398.40588 
SMILES	c(c(OCC=C(C)C)3)c(c2c(c3)O)OC(=C(C(=O)2)OC)c(c1)cc(OC)c(O)c1 
M  END