HMDB0006464 RDKit 3D Elaidic carnitine 77 76 0 0 0 0 0 0 0 0999 V2000 10.2156 1.0855 0.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7817 0.5589 0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2924 0.0194 1.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9246 -0.5134 1.4875 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5338 -1.6909 0.7056 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6248 -1.7246 -0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9576 -0.7312 -1.6012 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4851 -0.5858 -1.5711 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 -0.1230 -0.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2649 1.0294 -0.2642 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7339 1.5049 1.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2915 1.7316 1.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3974 0.5931 0.8299 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3818 -0.0665 -0.4974 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6163 -1.2105 -0.4707 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9901 -0.7413 -0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5206 0.2509 -1.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9127 0.6775 -0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0950 1.7727 -0.1907 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9811 -0.1499 -1.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3158 0.2410 -0.6976 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1550 0.1855 -1.9196 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6795 1.0883 -2.9887 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6684 1.7877 -2.8155 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4034 1.1143 -4.1672 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.7255 -0.7944 0.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0254 -0.5911 0.8981 N 0 0 0 0 0 4 0 0 0 0 0 0 -8.2826 0.8014 1.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9969 -1.2711 2.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1098 -1.1378 0.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4268 1.8713 -0.5013 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3812 1.5476 1.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9030 0.2447 0.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6932 -0.1436 -0.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1682 1.4865 -0.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3175 0.9051 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0555 -0.6707 1.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2282 0.3641 1.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7281 -0.7893 2.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3177 -2.5082 1.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6044 -2.2040 1.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0479 -2.7279 -1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6402 -2.0384 -1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2414 -0.9757 -2.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3775 0.3105 -1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2360 0.1942 -2.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9544 -1.5201 -1.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0801 -0.6386 0.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0946 1.6060 -1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2539 2.4705 1.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0782 0.8076 1.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0061 2.2743 2.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9717 2.5456 0.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5747 -0.2465 1.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6414 0.9401 1.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3717 -0.4624 -0.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0815 0.6925 -1.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5501 -1.7364 -1.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2951 -1.9193 0.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0514 -0.3827 0.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6628 -1.6425 -0.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5539 -0.2162 -2.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8637 1.1194 -1.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2628 1.2392 -0.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2286 0.4414 -1.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1765 -0.8696 -2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7263 -1.7748 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9649 -0.8680 1.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4489 1.1912 1.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1908 0.8137 1.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4832 1.4422 0.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2047 -2.3402 2.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7312 -0.7599 2.8776 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9916 -1.0664 2.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8032 -0.3153 -0.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6400 -1.8944 0.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7288 -1.7148 -0.7072 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 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 21 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 27 30 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 2 35 1 0 3 36 1 0 3 37 1 0 4 38 1 0 4 39 1 0 5 40 1 0 5 41 1 0 6 42 1 0 6 43 1 0 7 44 1 0 7 45 1 0 8 46 1 0 8 47 1 0 9 48 1 0 10 49 1 0 11 50 1 0 11 51 1 0 12 52 1 0 12 53 1 0 13 54 1 0 13 55 1 0 14 56 1 0 14 57 1 0 15 58 1 0 15 59 1 0 16 60 1 0 16 61 1 0 17 62 1 0 17 63 1 0 21 64 1 0 22 65 1 0 22 66 1 0 26 67 1 0 26 68 1 0 28 69 1 0 28 70 1 0 28 71 1 0 29 72 1 0 29 73 1 0 29 74 1 0 30 75 1 0 30 76 1 0 30 77 1 0 M CHG 2 25 -1 27 1 M END