HMDB0241583 RDKit 3D (5Z,8Z,13E,15S)-11,12,15-Trihydroxyicosa-5,8,13-trienoylcarnitine 82 81 0 0 0 0 0 0 0 0999 V2000 9.9826 -0.6427 -3.4687 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9844 -0.5781 -2.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2674 0.5974 -1.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4048 0.8487 -0.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2959 -0.0491 0.8644 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8191 -1.4385 0.7307 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8088 -1.9928 2.0516 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4794 -1.5263 0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4333 -0.9583 0.6674 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0769 -1.0279 0.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1595 -1.4072 -1.2445 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3956 0.3052 0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0696 1.2878 -0.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9796 0.2091 -0.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3908 1.5493 -0.2499 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3154 1.8401 0.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5187 0.8541 1.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9033 0.8409 0.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0118 1.1108 1.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1680 1.4921 2.6866 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9153 0.5797 3.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2829 0.2414 3.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3702 -0.6105 2.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4697 -1.2186 1.4223 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6563 -0.7795 1.4695 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8963 -1.5688 0.3366 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6572 -2.8425 0.7734 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9491 -3.7314 -0.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9827 -3.5669 -1.0476 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0923 -4.7622 -0.6898 O 0 0 0 0 0 1 0 0 0 0 0 0 -7.6102 -0.8941 -0.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0100 0.2574 -1.3402 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.1469 1.3793 -0.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6797 0.1113 -1.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8713 0.6451 -2.4769 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0013 -0.7632 -3.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6870 -1.5310 -4.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8762 0.3131 -3.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0325 -1.5570 -1.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9928 -0.4621 -2.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3765 0.5434 -1.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2634 1.5331 -2.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3387 1.0314 -0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6254 1.8907 0.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3264 -0.0970 1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6921 0.4880 1.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 -2.0513 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1660 -1.4580 2.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3141 -2.0699 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5928 -0.4140 1.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4948 -1.8092 0.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2849 -1.6929 -1.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2577 0.6304 1.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0962 1.0344 -1.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4561 -0.5928 0.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0660 0.0206 -1.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9225 2.3705 -0.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0129 2.9121 0.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -0.1555 1.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5757 1.1570 2.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9877 0.5680 -0.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9535 1.1058 0.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7216 2.5087 2.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1695 1.7784 3.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9254 1.0049 4.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2974 -0.3800 3.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7960 1.2208 2.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9273 -0.1202 4.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9217 -1.9523 -0.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5565 -2.5624 1.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0114 -3.4271 1.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6293 -0.5888 -0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8270 -1.6426 -1.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3456 2.3185 -0.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2592 1.4886 0.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0300 1.1504 0.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0273 0.9298 -1.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6391 0.2943 -2.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2286 -0.8941 -1.7004 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5738 0.0337 -3.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9425 0.5462 -2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6822 1.7319 -2.6723 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 6 8 1 0 8 9 2 3 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 2 3 16 17 1 0 17 18 1 0 18 19 2 3 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 26 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 1 36 1 0 1 37 1 0 1 38 1 0 2 39 1 0 2 40 1 0 3 41 1 0 3 42 1 0 4 43 1 0 4 44 1 0 5 45 1 0 5 46 1 0 6 47 1 0 7 48 1 0 8 49 1 0 9 50 1 0 10 51 1 0 11 52 1 0 12 53 1 0 13 54 1 0 14 55 1 0 14 56 1 0 15 57 1 0 16 58 1 0 17 59 1 0 17 60 1 0 18 61 1 0 19 62 1 0 20 63 1 0 20 64 1 0 21 65 1 0 21 66 1 0 22 67 1 0 22 68 1 0 26 69 1 0 27 70 1 0 27 71 1 0 31 72 1 0 31 73 1 0 33 74 1 0 33 75 1 0 33 76 1 0 34 77 1 0 34 78 1 0 34 79 1 0 35 80 1 0 35 81 1 0 35 82 1 0 M CHG 2 30 -1 32 1 M END