HMDB0251849
     RDKit          3D
Epigoitrin
 15 15  0  0  0  0  0  0  0  0999 V2000
   -2.3252    0.0168   -0.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4326   -0.9272   -0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0414   -0.6220    0.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    0.8352    0.1667 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7212    0.8223    0.0959 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0465   -0.3284   -0.6698 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5539   -0.7734   -1.1418 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8658   -1.0380   -0.9661 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3695   -0.1685   -0.6665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0521    1.0792   -0.3731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7476   -1.9589   -0.3145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3056   -1.1293    0.9826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0705    1.3847   -0.7481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1004    1.3014    1.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3718    1.5062    0.5147 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  3  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  3 12  1  0
  4 13  1  0
  4 14  1  0
  5 15  1  0
M  END