Mol:FLIC1LNS0014

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -2.0045    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0045    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4482    0.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8919    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8919    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4482    1.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3356    0.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2207    0.4859    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.2207    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3356    1.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7768    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7768   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3716   -0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9664   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9664    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3716    0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5606    1.4493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5606   -0.8650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6687    1.0922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3832    0.6797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3716   -1.8654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3716   -2.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0623   -0.4525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9330   -0.3557    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  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  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  1  2  1  0  0  0  0 
  1 17  1  0  0  0  0 
 14 18  1  0  0  0  0 
 16 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 13 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 12 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    0.0623   -0.4525 
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    0.9542   -1.0369 
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    1.6687    1.0922 
S  SKP  8 
ID	FLIC1LNS0014 
KNApSAcK_ID	C00009721 
NAME	Lonchocarpan;7,4'-Dihydroxy-2',3',6'-trimethoxyisoflavan 
CAS_RN	23531-99-9 
FORMULA	C18H20O6 
EXACTMASS	332.125988372 
AVERAGEMASS	332.3478 
SMILES	c(c1OC)(O)cc(c(C(C3)Cc(c2O3)ccc(O)c2)c1OC)OC 
M  END