Mol:FL3F1LNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -2.4197   -0.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4197   -0.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8634   -1.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3070   -0.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3070   -0.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8634    0.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507   -1.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1944   -0.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1944   -0.0651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507    0.2561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507   -1.5294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617    0.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286   -0.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4956    0.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4956    0.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286    1.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617    0.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0624    1.2379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7769    0.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3616   -0.2440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2276   -0.7440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7769    0.5537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2768    1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0044    1.5294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4957    2.3954    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 
 15 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 14 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  1 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 17 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  24  25 
M  SBL   4  1  26 
M  SMT   4  OCH3 
M  SVB   4 26    0.0044    1.5294 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  22  23 
M  SBL   3  1  24 
M  SMT   3  OCH3 
M  SVB   3 24   -2.7769    0.5537 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  20  21 
M  SBL   2  1  22 
M  SMT   2  OCH3 
M  SVB   2 22    1.7052    0.0498 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  18  19 
M  SBL   1  1  20 
M  SMT   1  OCH3 
M  SVB   1 20    2.0624    1.2379 
S  SKP  8 
ID	FL3F1LNS0001 
KNApSAcK_ID	C00004072 
NAME	7,2',4',5'-Tetramethoxyflavone 
CAS_RN	159119-06-9 
FORMULA	C19H18O6 
EXACTMASS	342.110338308 
AVERAGEMASS	342.34262 
SMILES	c(c(OC)1)(OC)cc(c(C(=C3)Oc(c(C(=O)3)2)cc(OC)cc2)c1)OC 
M  END