HMDB0241220 RDKit 3D (4E)-3-Hydroxydodec-4-enoylcarnitine 60 59 0 0 0 0 0 0 0 0999 V2000 7.5726 2.4538 1.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4560 1.6958 -0.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6809 0.3903 -0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2942 0.6327 0.3902 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5668 -0.6570 0.5911 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4670 -1.4157 -0.6892 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7045 -2.7030 -0.5823 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2856 -2.5414 -0.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6849 -1.3794 -0.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2332 -1.3123 0.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0996 -2.4617 0.7848 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -1.2331 -1.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0271 -1.1625 -0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8210 -2.1307 -0.8666 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5966 0.1007 -0.8004 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9897 0.3109 -0.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5281 1.1822 -1.6726 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3434 0.5570 -3.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7533 -0.6081 -3.1895 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7206 1.2237 -4.0682 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.2163 0.8701 0.8101 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5787 1.0866 1.1556 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.4863 0.0195 0.7646 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6113 1.0876 2.6404 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1386 2.3359 0.7261 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7396 1.7274 1.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6651 3.0248 1.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4305 3.1539 0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4758 1.4565 -0.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9480 2.2862 -1.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7089 -0.0868 -1.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2539 -0.2403 0.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7465 1.1571 -0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2397 1.2711 1.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6346 -0.4978 1.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2606 -1.2684 1.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9647 -0.7980 -1.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4944 -1.6437 -1.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1427 -3.3514 0.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8061 -3.2465 -1.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -3.4654 -0.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1935 -0.4664 -0.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -0.4316 0.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6904 -3.0241 0.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2966 -2.1205 -1.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2383 -0.3317 -1.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4800 -0.6697 -0.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9706 2.1527 -1.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5877 1.4101 -1.5553 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7279 0.2518 1.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7061 1.8699 0.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0970 0.2763 -0.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2653 -0.0415 1.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9812 -0.9447 0.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2669 2.0791 2.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9158 0.2619 2.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6518 0.8716 2.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4833 2.9006 1.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4151 3.0075 0.2143 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0749 2.1763 0.1174 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 3 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 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 6 37 1 0 6 38 1 0 7 39 1 0 7 40 1 0 8 41 1 0 9 42 1 0 10 43 1 0 11 44 1 0 12 45 1 0 12 46 1 0 16 47 1 0 17 48 1 0 17 49 1 0 21 50 1 0 21 51 1 0 23 52 1 0 23 53 1 0 23 54 1 0 24 55 1 0 24 56 1 0 24 57 1 0 25 58 1 0 25 59 1 0 25 60 1 0 M CHG 2 20 -1 22 1 M END