HMDB0032726 RDKit 3D Menadiol dibutyrate 45 46 0 0 0 0 0 0 0 0999 V2000 -7.5205 -0.5587 -0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0785 -0.7457 -0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1733 -0.0821 0.6413 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7449 -0.2682 0.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4611 -0.9210 -0.7294 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7101 0.2382 1.0637 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4052 0.0035 0.6536 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7135 -1.1129 1.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5898 -1.3646 0.6796 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3118 -2.5814 1.1558 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1666 -0.4401 -0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4684 -0.6462 -0.5939 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5398 -0.1427 0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3313 0.5157 1.1963 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9467 -0.3332 -0.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9048 0.3112 0.6762 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3371 0.1350 0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5249 0.6866 -0.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1367 1.5938 -1.4693 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 2.7171 -1.9072 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8295 2.9397 -1.4934 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4313 2.0280 -0.6445 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7755 0.8933 -0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6757 -0.5641 1.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1791 -1.3277 -0.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9212 0.4392 -0.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9217 -0.3318 -1.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8730 -1.8338 -0.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3501 -0.5971 1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3881 0.9873 0.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1686 -1.8356 1.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1929 -2.7705 0.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6248 -3.4422 1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5991 -2.4897 2.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 -1.4272 -0.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1424 0.0564 -1.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7356 -0.1473 1.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6952 1.3932 0.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0103 -0.0722 1.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6666 1.0398 -0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4332 -0.7470 -0.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1623 1.3835 -1.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 3.4347 -2.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 3.8190 -1.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4585 2.1675 -0.2926 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 2 0 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 9 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 11 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 7 1 0 23 18 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 8 31 1 0 10 32 1 0 10 33 1 0 10 34 1 0 15 35 1 0 15 36 1 0 16 37 1 0 16 38 1 0 17 39 1 0 17 40 1 0 17 41 1 0 19 42 1 0 20 43 1 0 21 44 1 0 22 45 1 0 M END