HMDB0039457 RDKit 3D Dipiperamide C 77 83 0 0 0 0 0 0 0 0999 V2000 2.2537 3.0676 0.3578 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2471 2.4946 -0.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 1.4931 0.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6544 0.1036 -0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7611 -0.7072 0.4851 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3835 -1.5386 -0.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4835 -2.3833 0.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0631 -3.2241 -0.8105 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1065 -4.0581 -0.4783 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6087 -4.0817 0.8068 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0146 -3.2389 1.7122 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9648 -2.3922 1.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6804 -3.4413 2.9052 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8096 -4.2617 2.7081 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6238 -4.7932 1.4291 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6925 -0.1351 0.5946 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6174 -0.9688 -0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6386 -0.5590 -0.8556 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5324 -1.4454 -1.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6001 -0.9155 -2.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4734 -1.6822 -3.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3218 -3.0550 -3.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2788 -3.6152 -2.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4049 -2.8095 -1.6553 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3650 -4.9855 -2.5901 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6004 -5.3076 -3.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0428 -4.0714 -3.7068 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 1.3454 0.6133 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 1.9020 1.8067 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6471 2.5119 1.5791 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1247 1.8866 3.1462 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9851 2.4938 4.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8254 1.4063 5.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3247 1.2888 5.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0388 1.3943 3.8166 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0832 3.0104 -1.5660 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 2.5751 -2.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 3.7922 -2.6515 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0003 4.7815 -3.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3007 5.1192 -2.8366 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 4.0767 -2.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0342 1.4225 1.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5780 0.0108 -1.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0380 -0.6182 1.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0647 -1.6067 -1.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6819 -3.2250 -1.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5562 -4.7083 -1.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5253 -1.7440 2.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8046 -5.1294 3.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7706 -3.6935 2.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5433 -0.5563 1.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4345 -2.0570 -0.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8593 0.4959 -0.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7583 0.1587 -2.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3081 -1.2476 -3.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6220 -3.3135 -1.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3067 -5.7174 -2.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4622 -6.0805 -3.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4372 1.6836 -0.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0246 2.5693 3.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5206 3.4004 4.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2471 0.4639 4.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2790 1.7030 6.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0525 0.3650 5.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0753 2.2064 5.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9012 2.1124 3.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2772 0.3750 3.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6565 2.4575 -3.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4452 1.6664 -2.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7347 3.5471 -3.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0294 4.2611 -1.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5729 5.7337 -3.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1643 4.3337 -4.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9938 5.4482 -3.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1653 6.0465 -2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4101 4.5304 -1.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8046 3.6334 -2.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 4 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 16 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 2 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 28 3 1 0 35 31 1 0 41 36 1 0 12 7 1 0 24 19 1 0 15 10 1 0 27 22 1 0 3 42 1 0 4 43 1 0 5 44 1 0 6 45 1 0 8 46 1 0 9 47 1 0 12 48 1 0 14 49 1 0 14 50 1 0 16 51 1 0 17 52 1 0 18 53 1 0 20 54 1 0 21 55 1 0 24 56 1 0 26 57 1 0 26 58 1 0 28 59 1 0 32 60 1 0 32 61 1 0 33 62 1 0 33 63 1 0 34 64 1 0 34 65 1 0 35 66 1 0 35 67 1 0 37 68 1 0 37 69 1 0 38 70 1 0 38 71 1 0 39 72 1 0 39 73 1 0 40 74 1 0 40 75 1 0 41 76 1 0 41 77 1 0 M END