HMDB0241246 RDKit 3D 3-Hydroxydodeca-6,9-dienoylcarnitine 58 57 0 0 0 0 0 0 0 0999 V2000 7.1633 1.0002 3.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5836 -0.2289 2.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2907 0.0931 1.6843 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1908 -0.5446 2.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8653 -0.2256 1.3882 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0002 0.8228 0.3801 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7204 0.7176 -0.8848 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2166 -0.4825 -1.5252 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8606 -0.2898 -2.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4763 -1.6084 -2.7946 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4873 -1.9126 -3.7361 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8055 -1.5750 -3.5578 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9887 -1.1940 -2.7633 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0947 -1.1392 -3.3874 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9928 -0.8998 -1.4312 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1072 -0.5394 -0.6463 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2568 -1.4530 0.5018 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4489 -2.8433 0.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4798 -3.1901 -1.1733 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6040 -3.8125 1.0554 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.9280 0.9096 -0.2632 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9575 1.4756 0.5367 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.2967 1.1825 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8190 2.9398 0.4041 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8079 1.1902 1.9512 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8093 1.9375 2.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2855 0.9646 2.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9441 0.9659 4.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3509 -0.5487 1.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4997 -1.0217 3.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2241 0.8498 0.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2497 -1.3018 2.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2156 0.1031 2.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4509 -1.1744 1.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3849 1.7979 0.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8734 1.6039 -1.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9748 -0.8158 -2.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 -1.3426 -0.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1589 -0.0196 -1.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9129 0.5276 -2.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4814 -2.3726 -2.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7412 -1.0481 -4.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6654 -0.9220 -4.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9916 -2.5905 -3.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9969 -0.5930 -1.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1154 -1.2325 1.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 -1.4918 1.1399 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8901 1.4827 -1.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9578 1.1112 0.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3483 0.8980 -0.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7942 0.4086 0.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9687 2.0871 0.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9529 3.2801 1.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8081 3.2608 -0.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7553 3.3542 0.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9217 0.5811 2.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6850 2.1271 2.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7604 0.7415 2.3595 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 1 0 6 7 2 3 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 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 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 7 36 1 0 8 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