Mol:FL5FGCNS0006

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
   -1.0816   -0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6378   -1.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6379   -1.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0815   -1.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5253   -1.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5253   -1.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0816   -2.6305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5252   -2.9516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0310   -2.6305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0310   -1.9881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5153   -2.8809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5871   -2.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5872   -3.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1541   -3.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7211   -3.6063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7211   -2.9516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1541   -2.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5253   -3.5938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1939   -1.9880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2879   -2.6243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2879   -3.9335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7243   -0.0847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2242    0.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7963   -0.3219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9394   -1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1100   -0.9789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1074   -0.9072    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 
  8 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
  1 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  2 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
  6 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  26  27 
M  SBL   3  1  28 
M  SMT   3  OCH3 
M  SVB   3 28   -1.0494    0.7182 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  24  25 
M  SBL   2  1  26 
M  SMT   2  OCH3 
M  SVB   2 26   -2.5983   -0.7269 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  24 
M  SMT   1  OCH3 
M  SVB   1 24    -2.241    0.4428 
S  SKP  8 
ID	FL5FGCNS0006 
KNApSAcK_ID	C00004791 
NAME	3,5,3',4'-Tetrahydroxy-6,7,8-trimethoxyflavone 
CAS_RN	102673-79-0 
FORMULA	C18H16O9 
EXACTMASS	376.07943210999997 
AVERAGEMASS	376.31424 
SMILES	c(C(O2)=C(C(c(c3O)c2c(c(c3OC)OC)OC)=O)O)(c1)cc(O)c(O)c1 
M  END