HMDB0251371 RDKit 3D Dimepheptanol 52 53 0 0 0 0 0 0 0 0999 V2000 -0.8398 3.3730 -1.9315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0814 2.4014 -1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7056 1.6862 -0.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2497 2.5593 0.8234 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3586 0.3456 0.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9823 0.0984 0.8855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1812 0.3077 0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4444 -0.0190 0.8531 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2483 -0.6252 -1.0929 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3934 -1.9868 -0.7004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1999 -0.1950 -2.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2804 0.2053 1.5899 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7803 -0.3319 2.7201 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6043 -0.4689 3.8674 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9027 -0.0534 3.8151 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3959 0.4910 2.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5794 0.6167 1.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8820 -0.7289 -0.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7164 -0.8125 -1.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2317 -1.8549 -2.6617 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9357 -2.8562 -2.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1364 -2.8322 -0.7333 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6222 -1.7988 0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8153 2.8884 -2.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 4.3560 -1.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4405 3.5247 -2.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6153 1.8246 -1.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8961 3.0472 -0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7019 1.4786 -0.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5723 3.1525 1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0237 -1.0011 1.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1946 0.6292 1.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3656 1.2928 -0.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1828 -0.7316 1.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8671 0.9167 1.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2055 -0.4890 0.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0079 -2.1330 0.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8859 -2.5301 -1.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3954 -2.4428 -0.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8952 -0.5649 -3.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4150 0.8755 -2.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1563 -0.7284 -1.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2222 -0.6981 2.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2273 -0.8946 4.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5531 -0.1528 4.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4297 0.8106 2.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0042 1.0379 0.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1711 -0.0743 -2.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0331 -1.8107 -3.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3198 -3.6494 -2.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7059 -3.6447 -0.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7974 -1.8101 1.0796 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 9 11 1 0 5 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 5 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 17 12 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 4 30 1 0 6 31 1 0 6 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 8 36 1 0 10 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 11 42 1 0 13 43 1 0 14 44 1 0 15 45 1 0 16 46 1 0 17 47 1 0 19 48 1 0 20 49 1 0 21 50 1 0 22 51 1 0 23 52 1 0 M END