HMDB0304321 RDKit 3D D-ononitol 27 27 0 0 0 0 0 0 0 0999 V2000 3.1675 -0.4198 -0.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2726 -0.3483 0.5804 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 -0.0462 0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4374 1.2008 0.7218 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0190 2.2882 0.0278 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0205 1.3341 0.7744 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4178 2.3236 -0.1588 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8461 0.1364 0.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0995 0.4321 -0.0426 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1912 -0.8779 -0.3584 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9872 -1.9520 -0.6239 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0995 -1.2647 0.3666 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7118 -2.3457 -0.2395 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1675 0.5865 -0.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8838 -1.1745 -1.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1816 -0.6475 -0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 0.0570 -0.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8746 1.2893 1.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7223 2.1881 -0.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3270 1.7742 1.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8283 1.9148 -0.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0804 -0.3976 1.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3539 1.3321 0.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9440 -0.3693 -1.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6260 -2.4085 -1.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0918 -1.4141 1.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2268 -3.1913 -0.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 3 1 0 1 14 1 0 1 15 1 0 1 16 1 0 3 17 1 0 4 18 1 1 5 19 1 0 6 20 1 1 7 21 1 0 8 22 1 0 9 23 1 0 10 24 1 6 11 25 1 0 12 26 1 1 13 27 1 0 M END