HMDB0241101 RDKit 3D (5,8)-Decadienoylcarnitine 51 50 0 0 0 0 0 0 0 0999 V2000 7.5030 -1.7789 1.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4623 -0.3231 1.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6941 0.4201 0.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8567 -0.2196 -0.6186 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4384 0.0953 -0.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7255 0.7506 -1.2488 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2800 1.1036 -1.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8361 0.5999 0.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4005 0.9086 0.6014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4963 0.2740 -0.3642 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1607 -0.4721 -1.2971 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8469 0.4783 -0.2917 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8773 -0.0023 -1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3638 1.0751 -1.9685 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8808 2.2869 -1.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3328 3.1647 -2.1647 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9490 2.6144 -0.0293 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.8268 -0.9601 -0.5114 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6308 -0.6781 0.6026 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.8594 0.0317 0.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1232 -2.0056 1.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9715 -0.2137 1.7907 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5527 -2.2924 1.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8071 -1.9979 -0.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3104 -2.2294 1.6661 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0644 0.1557 1.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 1.4797 0.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1559 0.1425 -1.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9882 -1.3207 -0.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9995 -0.2104 0.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1646 1.0636 -2.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2198 2.2157 -1.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6735 0.7434 -1.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5127 1.0893 1.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 -0.5140 0.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 0.6342 1.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2877 2.0130 0.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2604 -0.6343 -1.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0375 0.6925 -2.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4725 1.4542 -2.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5365 -1.3037 -1.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2645 -1.9176 -0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8826 0.2024 -0.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7826 -0.5405 0.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9511 0.9709 0.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2716 -2.5128 1.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5249 -2.5118 0.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9494 -1.7900 1.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7444 0.2351 2.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4761 -1.0206 2.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2057 0.5541 1.6249 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 2 3 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 13 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 19 22 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 13 38 1 0 14 39 1 0 14 40 1 0 18 41 1 0 18 42 1 0 20 43 1 0 20 44 1 0 20 45 1 0 21 46 1 0 21 47 1 0 21 48 1 0 22 49 1 0 22 50 1 0 22 51 1 0 M CHG 2 17 -1 19 1 M END