Mol:FLIA3CNS0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 27  0  0  0  0  0  0  0  0999 V2000 
   -2.4011    0.6262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4011   -0.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8448   -0.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2885   -0.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2885    0.6262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8448    0.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7322   -0.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1759   -0.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1759    0.6262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7322    0.9473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3802   -0.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3802   -1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9750   -1.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5698   -1.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5698   -0.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9750    0.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7263   -1.0238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9783    1.5757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6172    1.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8785    1.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4358   -1.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3019   -2.0241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1640    0.0058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8785   -0.4067    0.0000 C   0  0  0  0  0  0  0  0  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  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 11  2  0  0  0  0 
  7 17  2  0  0  0  0 
  1  2  1  0  0  0  0 
  6 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20  1  1  0  0  0  0 
 14 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 15 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  26 
M  SMT   2  OCH3 
M  SVB   2 26     2.164    0.0058 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  24 
M  SMT   1  OCH3 
M  SVB   1 24    1.8073   -1.2303 
S  SKP  8 
ID	FLIA3CNS0005 
KNApSAcK_ID	C00009823 
NAME	Maximaisoflavone D;7,8-Methylenedioxy-3',4'-dimethoxyisoflavone 
CAS_RN	94413-08-8 
FORMULA	C18H14O6 
EXACTMASS	326.07903818 
AVERAGEMASS	326.30016 
SMILES	c(c14)(OCO4)ccc(C2=O)c1OC=C(c(c3)cc(OC)c(OC)c3)2 
M  END