HMDB0241443 RDKit 3D Pentadeca-5,12-dienoylcarnitine 66 65 0 0 0 0 0 0 0 0999 V2000 10.1861 0.1301 1.6081 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3560 -0.2145 0.3912 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9149 -0.0550 0.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1903 0.7959 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7195 0.9815 0.2575 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9171 0.6488 -0.9562 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4332 0.8608 -0.6648 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9428 0.0001 0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0525 -1.4576 0.2659 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2857 -2.1941 -0.6991 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3285 -1.9967 -1.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5706 -0.8010 -1.8446 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 -1.0569 -1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6172 0.2365 -1.9471 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0877 0.1984 -1.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8596 -0.2959 -2.6660 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6981 0.6934 -0.6523 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1071 0.6880 -0.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5258 2.1027 -0.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8495 2.7632 0.8905 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0089 2.1380 1.5765 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1611 4.0832 1.1844 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.3559 -0.2302 0.7149 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7238 -0.3890 1.1145 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.6731 -0.4836 0.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7864 -1.6840 1.8227 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1104 0.6006 2.1273 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 -0.0257 1.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0476 1.2341 1.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8652 -0.4036 2.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5498 -1.2845 0.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6945 0.4494 -0.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4794 -0.6480 1.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6462 1.3777 -0.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5652 2.0228 0.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4719 0.3176 1.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1660 1.2804 -1.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0495 -0.4025 -1.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9120 0.7727 -1.6229 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3314 1.9419 -0.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5132 0.3363 1.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8846 0.2711 0.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9194 -1.9614 1.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1668 -1.7220 0.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 -3.3269 -0.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9905 -2.8973 -2.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8018 0.1091 -1.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6191 -0.5713 -2.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2674 -1.8857 -2.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0277 -1.3094 -0.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3438 0.5958 -2.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2199 1.0146 -1.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5271 0.2160 -1.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6207 2.2715 -0.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1703 2.6543 -1.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0276 -1.2540 0.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7601 -0.0559 1.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4889 0.1207 -0.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7143 -1.5533 -0.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6838 -0.2693 0.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6756 -2.5309 1.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7527 -1.7270 2.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9764 -1.7141 2.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7550 0.1211 2.9227 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7309 1.4099 1.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2237 0.9631 2.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 3 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 18 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 24 27 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 2 32 1 0 3 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 8 42 1 0 9 43 1 0 9 44 1 0 10 45 1 0 11 46 1 0 12 47 1 0 12 48 1 0 13 49 1 0 13 50 1 0 14 51 1 0 14 52 1 0 18 53 1 0 19 54 1 0 19 55 1 0 23 56 1 0 23 57 1 0 25 58 1 0 25 59 1 0 25 60 1 0 26 61 1 0 26 62 1 0 26 63 1 0 27 64 1 0 27 65 1 0 27 66 1 0 M CHG 2 22 -1 24 1 M END