HMDB0038167 RDKit 3D Maalialcohol 42 44 0 0 0 0 0 0 0 0999 V2000 3.2135 1.2029 1.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2800 0.6957 0.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7193 1.0506 -1.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8769 -0.7558 0.4719 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5994 -1.5419 -0.7791 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2288 -2.1263 -0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7911 -1.1722 -0.1997 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9911 -1.6636 1.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0494 -1.3314 -1.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0592 -0.2837 -0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4449 1.0621 -1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2728 1.2933 -0.0933 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7599 1.4861 1.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6711 2.5018 -0.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2281 0.2252 -0.2595 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9113 0.3819 0.6705 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9352 0.3910 1.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7908 2.0796 1.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6548 1.4373 2.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4085 0.2264 -1.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9240 1.2698 -1.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3878 1.9608 -1.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2557 -1.3186 1.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3832 -2.3251 -0.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7334 -0.9101 -1.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2492 -3.0970 -0.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0217 -2.3294 -1.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9206 -2.7905 1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0076 -1.4566 1.6041 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -1.3330 1.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7548 -1.2408 -2.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4378 -2.3358 -0.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9918 -0.4342 -1.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2882 -0.3706 0.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1368 1.0723 -2.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1846 1.8697 -0.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3615 0.8117 2.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5669 2.5346 1.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8848 1.3931 1.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3571 2.9894 0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1715 0.3481 -1.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6364 0.5333 1.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 1 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 6 12 15 1 0 15 16 1 0 16 2 1 0 16 4 1 0 15 7 1 0 1 17 1 0 1 18 1 0 1 19 1 0 3 20 1 0 3 21 1 0 3 22 1 0 4 23 1 1 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 8 28 1 0 8 29 1 0 8 30 1 0 9 31 1 0 9 32 1 0 10 33 1 0 10 34 1 0 11 35 1 0 11 36 1 0 13 37 1 0 13 38 1 0 13 39 1 0 14 40 1 0 15 41 1 6 16 42 1 1 M END