HMDB0253618
     RDKit          3D
Isochroman
 20 21  0  0  0  0  0  0  0  0999 V2000
    2.4425    0.8351   -0.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6021   -0.5354   -0.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4663   -1.3355    0.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2265   -0.7572    0.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0748    0.6065   -0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1793    1.3902   -0.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2726    1.1743    0.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3705    0.2199   -0.2691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9528   -1.0595   -0.5817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0067   -1.5566    0.3100 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3233    1.4707   -0.3468 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5695   -1.0187   -0.0986 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5336   -2.4097    0.2067 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1266    2.4758   -0.2862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2756    2.0620   -0.6603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4183    1.6416    1.0561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9307    0.6084   -1.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1150    0.2296    0.5807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8527   -2.6203    0.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3494   -1.4212    1.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  6  1  1  0
 10  4  1  0
  1 11  1  0
  2 12  1  0
  3 13  1  0
  6 14  1  0
  7 15  1  0
  7 16  1  0
  8 17  1  0
  8 18  1  0
 10 19  1  0
 10 20  1  0
M  END