Mol:FLIA1LNS0010

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -2.2825    0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2825    0.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7262    0.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1699    0.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1699    0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7262    1.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6136    0.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0573    0.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0573    0.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6136    1.3006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4988    0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4988   -0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0936   -1.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6883   -0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6883    0.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0936    0.3594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6136   -0.6262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0954   -1.0138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6398    1.5982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1399    2.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6883   -0.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6883   -0.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6762   -1.1857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3907   -1.5982    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 
  8 11  1  0  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  2  0  0  0  0 
 12 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 14 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 13 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    0.6762   -1.1857 
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    1.9253    -0.877 
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   -2.6398    1.5982 
S  SKP  8 
ID	FLIA1LNS0010 
KNApSAcK_ID	C00009414 
NAME	2'-Hydroxy-7,3',4'-trimethoxyisoflavone 
CAS_RN	71973-12-1 
FORMULA	C18H16O6 
EXACTMASS	328.094688244 
AVERAGEMASS	328.31604 
SMILES	c(c1O)(OC)c(OC)ccc1C(C3=O)=COc(c32)cc(OC)cc2 
M  END