HMDB0241700 RDKit 3D 6-Octenoylcarnitine 47 46 0 0 0 0 0 0 0 0999 V2000 5.4720 2.8058 0.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1231 1.4757 0.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 0.3632 0.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9713 0.4134 0.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6729 -0.2605 -1.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2055 -0.2177 -1.5496 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4092 -0.9144 -0.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -0.8473 -0.8233 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3968 -0.2429 -1.8475 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0489 -1.3923 -0.1031 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3645 -1.2988 -0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7632 -2.7143 -0.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1514 -2.8145 -1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0663 -2.9297 -0.4953 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4854 -2.7842 -2.6748 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.3696 -0.8224 0.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1912 0.5047 1.0278 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.4960 1.1475 1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3873 1.3734 0.2558 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6334 0.3776 2.3696 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8498 2.9217 -0.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8581 2.9198 1.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2147 3.6219 0.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1933 1.4509 0.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9405 -0.5915 0.3461 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -0.1602 0.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5934 1.4417 0.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2184 0.2926 -2.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0066 -1.3209 -1.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0028 -0.7635 -2.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8784 0.8404 -1.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7822 -1.9359 -0.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4913 -0.4232 0.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4571 -0.6945 -1.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5248 -3.3693 -0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0266 -2.9967 -1.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6436 -1.5585 1.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3419 -0.7543 -0.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0346 0.5384 1.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0671 1.0977 0.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4095 2.2004 1.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3297 1.2884 0.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6734 2.4262 0.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4435 1.2780 -0.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9963 -0.5784 2.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9238 1.2488 3.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5291 0.3578 2.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 11 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 16 37 1 0 16 38 1 0 18 39 1 0 18 40 1 0 18 41 1 0 19 42 1 0 19 43 1 0 19 44 1 0 20 45 1 0 20 46 1 0 20 47 1 0 M CHG 2 15 -1 17 1 M END