HMDB0241690 RDKit 3D Hepta-2,4-dienoylcarnitine 42 41 0 0 0 0 0 0 0 0999 V2000 7.0836 0.8159 0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0785 0.0530 0.8818 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6539 -1.1738 0.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4157 -1.4251 -0.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2761 -0.5602 0.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0499 -0.9106 -0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8913 -0.0693 -0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9662 1.0576 0.5085 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3377 -0.4850 -0.4917 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5441 0.3643 -0.2871 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8867 0.6913 -1.7192 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0180 1.5493 -1.9885 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0823 1.1403 -2.5157 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0253 2.9246 -1.6830 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.4538 -0.5574 0.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7060 -0.1278 0.8995 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.7975 -0.5467 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9527 -0.8727 2.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8120 1.2595 1.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1973 1.8705 0.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0430 0.2559 0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7381 0.7939 -1.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2768 0.7286 1.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5842 -0.2615 1.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4474 -1.9082 -0.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2035 -2.3878 -0.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4381 0.3808 0.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9317 -1.8655 -0.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2066 1.2494 0.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9621 -0.3037 -2.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9898 1.1668 -2.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6264 -1.4340 -0.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9009 -1.0915 1.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4457 -1.3003 0.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3552 -1.0270 -0.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4103 0.3192 -0.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7627 -0.3224 2.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0219 -0.8395 2.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2857 -1.9131 1.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8271 1.5959 1.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2960 1.8542 0.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5689 1.3121 2.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 2 3 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 10 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 4 26 1 0 5 27 1 0 6 28 1 0 10 29 1 0 11 30 1 0 11 31 1 0 15 32 1 0 15 33 1 0 17 34 1 0 17 35 1 0 17 36 1 0 18 37 1 0 18 38 1 0 18 39 1 0 19 40 1 0 19 41 1 0 19 42 1 0 M CHG 2 14 -1 16 1 M END