Mol:FLIAFLNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
   -2.3617    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3617    0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8054   -0.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2491    0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2491    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8054    1.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6928   -0.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1365    0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1365    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6928    1.0086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4196   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4196   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0144   -1.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6092   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6092   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0144    0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6928   -0.9183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8054   -0.9183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9178    1.0084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4752   -1.4628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3413   -1.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4753   -1.6785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4755   -2.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5274    1.5816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0909    2.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2034    0.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9178   -0.3455    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 
  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 14 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 12 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  6 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 15 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  26  27 
M  SBL   4  1  28 
M  SMT   4  OCH3 
M  SVB   4 28    2.2034     0.067 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  24  25 
M  SBL   3  1  26 
M  SMT   3  OCH3 
M  SVB   3 26   -1.5274    1.5816 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  22  23 
M  SBL   2  1  24 
M  SMT   2  OCH3 
M  SVB   2 24   -0.2949   -0.8934 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  20  21 
M  SBL   1  1  22 
M  SMT   1  OCH3 
M  SVB   1 22    1.8461   -1.1691 
S  SKP  8 
ID	FLIAFLNS0001 
KNApSAcK_ID	C00009489 
NAME	Isocaviunin;5,7-Dihydroxy-8,2',4',5'-tetramethoxyisoflavone 
CAS_RN	4968-78-9 
FORMULA	C19H18O8 
EXACTMASS	374.100167552 
AVERAGEMASS	374.34142 
SMILES	c(c(OC)1)(OC)cc(c(C(C2=O)=COc(c3OC)c(c(O)cc3O)2)c1)OC 
M  END