Mol:FL5FFCNS0031

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 30  0  0  0  0  0  0  0  0999 V2000 
   -2.1833    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1833   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6270   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0707   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0707    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6270    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5144   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0419   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0419    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5144    0.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5144   -1.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5980    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1650    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7319    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7319    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1650    1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5980    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3546    0.2355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7394    0.7651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3546    1.2948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7394    0.4378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0634   -1.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3490   -1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9079   -1.0256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7740   -1.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3490    1.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9126    1.9107    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 
 14 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 15  1  0  0  0  0 
  1 21  1  0  0  0  0 
  3 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  8 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  29 
M  SMT   3  OCH3 
M  SVB   3 29    -1.349     1.011 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  24  25 
M  SBL   2  1  27 
M  SMT   2  OCH3 
M  SVB   2 27    0.2522   -0.7106 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  25 
M  SMT   1  OCH3 
M  SVB   1 25   -2.0634   -1.0073 
S  SKP  8 
ID	FL5FFCNS0031 
KNApSAcK_ID	C00005058 
NAME	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone;2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,8-trimethoxy-4H-1-benzopyran-4-one 
CAS_RN	7741-42-6 
FORMULA	C19H16O8 
EXACTMASS	372.08451748799996 
AVERAGEMASS	372.32554 
SMILES	c(c41)(OCO4)ccc(C(O2)=C(C(c(c(OC)3)c2c(c(O)c3)OC)=O)OC)c1 
M  END