HMDB0240822 RDKit 3D (10Z,12Z)-octadeca-10,12-dienoylcarnitine 75 74 0 0 0 0 0 0 0 0999 V2000 9.5362 -0.7969 0.8384 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9293 0.3625 -0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8918 -0.0707 -1.4841 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6219 -0.5855 -1.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4406 0.2681 -2.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8425 0.8179 -0.8243 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5694 0.4817 -0.5127 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8933 0.9823 0.6646 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6604 0.6906 1.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7522 -0.1906 0.2811 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2924 -1.3859 1.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5549 -0.9870 2.3282 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3211 -0.1780 2.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6815 -0.9227 1.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9188 -0.1381 0.9516 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6486 1.1626 0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9113 1.9369 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8711 1.1752 -0.8751 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7214 1.2040 -2.1086 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9117 0.4403 -0.4007 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8033 -0.2668 -1.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7235 -1.7399 -1.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8883 -2.4869 0.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8879 -2.9835 0.5734 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6982 -2.6945 0.7928 O 0 0 0 0 0 1 0 0 0 0 0 0 -7.1664 0.3496 -1.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8883 0.5816 -0.0839 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.1200 0.7784 1.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8322 -0.4923 0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7377 1.7924 -0.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1528 -1.6934 0.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4796 -1.0194 0.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6545 -0.4732 1.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0534 0.5887 0.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3641 1.2380 0.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6876 -0.8712 -1.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2721 0.8040 -2.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7446 -1.0665 -3.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3213 -1.4887 -1.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6098 -0.2986 -2.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5895 1.1592 -2.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 1.5061 -0.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0761 -0.1856 -1.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4849 1.6606 1.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2471 1.1325 1.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1778 -0.5100 -0.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8645 0.4518 -0.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1978 -1.9423 1.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 -2.0433 0.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2575 -0.3581 2.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3295 -1.8651 2.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6234 0.7689 1.5795 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 0.0493 3.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9537 -1.8579 1.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1646 -1.2043 0.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4865 -0.0053 1.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5575 -0.7479 0.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1613 0.9937 -0.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9761 1.8140 0.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3851 2.2571 0.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6092 2.8501 -0.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4002 -0.0339 -2.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8023 -2.0499 -1.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5519 -2.0924 -1.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1305 1.3436 -1.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8432 -0.2493 -1.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8058 0.8094 2.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6336 1.7993 1.1208 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3894 -0.0125 1.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6523 -1.2682 -0.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8937 -0.1920 0.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6576 -0.9615 1.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5063 1.5720 -0.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2524 1.9024 0.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1457 2.6848 -0.3928 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 2 3 7 8 1 0 8 9 2 3 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 21 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 27 30 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 2 35 1 0 3 36 1 0 3 37 1 0 4 38 1 0 4 39 1 0 5 40 1 0 5 41 1 0 6 42 1 0 7 43 1 0 8 44 1 0 9 45 1 0 10 46 1 0 10 47 1 0 11 48 1 0 11 49 1 0 12 50 1 0 12 51 1 0 13 52 1 0 13 53 1 0 14 54 1 0 14 55 1 0 15 56 1 0 15 57 1 0 16 58 1 0 16 59 1 0 17 60 1 0 17 61 1 0 21 62 1 0 22 63 1 0 22 64 1 0 26 65 1 0 26 66 1 0 28 67 1 0 28 68 1 0 28 69 1 0 29 70 1 0 29 71 1 0 29 72 1 0 30 73 1 0 30 74 1 0 30 75 1 0 M CHG 2 25 -1 27 1 M END