Mol:FLIB1LNS0010

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -2.1831    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1831    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6268    0.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0705    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0705    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6268    1.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5142    0.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0421    0.4859    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.0421    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5142    1.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5982    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5982   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1930   -0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7878   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7878    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1930    0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6256   -0.4676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7392    1.4493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1163   -0.4525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1116   -0.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6538   -1.0220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5199   -1.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1930   -1.8654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1930   -2.8654    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  1  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 18  1  0  0  0  0 
 12 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 14 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 13 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
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    0.7756   -1.0369 
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    2.0247   -0.7282 
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   -0.1163   -0.4525 
S  SKP  8 
ID	FLIB1LNS0010 
KNApSAcK_ID	C00009545 
NAME	3'-O-Methylviolanone;7-Hydroxy-2',3',4'-trimethoxyisoflavanone 
CAS_RN	56973-42-3 
FORMULA	C18H18O6 
EXACTMASS	330.110338308 
AVERAGEMASS	330.33191999999997 
SMILES	c(c3OC)(OC)ccc(c3OC)C(C2=O)COc(c21)cc(O)cc1 
M  END