Mol:FL5FFLNS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 30  0  0  0  0  0  0  0  0999 V2000 
   -2.4197    0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4197   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8634   -0.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3070   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3070    0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8634    0.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507   -0.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1944   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1944    0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507    0.3268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507   -1.4588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4956    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4956    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286    1.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8634   -1.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0044    1.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4956    2.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6716   -1.1368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5376   -1.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5853    0.8998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1487    1.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7769    0.6243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2769    1.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0624    1.3086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7769    0.8961    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 
  3 18  1  0  0  0  0 
 17 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
  8 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  6 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
  1 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 15 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
M  STY  1   5 SUP 
M  SLB  1   5   5 
M  SAL   5  2  27  28 
M  SBL   5  1  29 
M  SMT   5  OCH3 
M  SVB   5 29    2.0624    1.3086 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  25  26 
M  SBL   4  1  27 
M  SMT   4  OCH3 
M  SVB   4 27   -2.7769    0.6243 
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   -1.5853    0.8998 
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    0.0044    -0.843 
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    0.0044    1.6001 
S  SKP  8 
ID	FL5FFLNS0003 
KNApSAcK_ID	C00004718 
NAME	5-Hydroxy-3,7,8,2',4'-pentamethoxyflavone 
CAS_RN	71787-04-7 
FORMULA	C20H20O8 
EXACTMASS	388.11581761599996 
AVERAGEMASS	388.368 
SMILES	COc(c3OC)cc(c(c23)C(C(=C(O2)c(c1)c(cc(OC)c1)OC)OC)=O)O 
M  END