HMDB0241336 RDKit 3D Trideca-3,6,9-trienoylcarnitine 58 57 0 0 0 0 0 0 0 0999 V2000 4.7934 0.9683 3.3744 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1470 0.5155 2.9754 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1935 -0.7868 2.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5448 -0.8255 0.9473 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9533 -0.8633 -0.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4497 -0.7191 -0.4379 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0119 -1.9489 -1.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4936 -1.8938 -2.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2658 -0.6621 -3.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8553 -0.5344 -3.6145 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0113 0.3930 -3.2396 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3886 0.3859 -3.7858 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3816 0.1461 -2.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5941 -0.1427 -3.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.1951 -1.3698 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2893 -0.1180 -0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7566 -1.3851 0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4893 -2.1996 1.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7088 -2.2336 1.2683 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7489 -3.1292 1.8072 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.3410 1.0836 0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3594 1.2752 1.3807 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.2346 0.5632 2.6098 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4103 2.7201 1.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6974 1.0591 0.8228 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1713 1.3488 2.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9589 1.8803 4.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2803 0.2398 4.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7044 1.3088 2.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7529 0.3414 3.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2911 -1.0525 2.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7990 -1.6135 2.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7572 -1.0035 0.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4682 -1.0053 -1.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9436 -0.6923 0.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2471 0.2271 -0.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1485 -2.8910 -0.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1992 -2.8319 -2.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5262 0.2768 -2.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9355 -0.7626 -4.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5021 -1.3110 -4.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2719 1.1473 -2.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5499 1.4411 -4.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4351 -0.3463 -4.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1139 -0.3125 -1.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7356 -1.1262 0.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4764 -2.0312 -0.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3123 1.2147 0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3809 2.0001 -0.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2877 1.2660 3.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1179 -0.1110 2.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2737 0.0341 2.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1400 2.8253 2.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4103 3.1458 1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6907 3.3163 1.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7981 1.6711 -0.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4141 1.5166 1.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9744 0.0261 0.6661 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 3 5 6 1 0 6 7 1 0 7 8 2 3 8 9 1 0 9 10 1 0 10 11 2 3 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 16 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 22 25 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 5 34 1 0 6 35 1 0 6 36 1 0 7 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 10 41 1 0 11 42 1 0 12 43 1 0 12 44 1 0 16 45 1 0 17 46 1 0 17 47 1 0 21 48 1 0 21 49 1 0 23 50 1 0 23 51 1 0 23 52 1 0 24 53 1 0 24 54 1 0 24 55 1 0 25 56 1 0 25 57 1 0 25 58 1 0 M CHG 2 20 -1 22 1 M END