HMDB0240768 RDKit 3D 3-Hydroxylinoleoylcarnitine 76 75 0 0 0 0 0 0 0 0999 V2000 3.8138 1.7048 3.6648 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8393 1.0735 2.7609 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4825 -0.3758 2.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5647 -0.8950 1.5447 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3308 -2.3479 1.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0786 -2.5147 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9553 -2.9715 -0.8146 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0811 -3.3777 -1.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3970 -2.6897 -2.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8093 -1.6590 -3.3587 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6852 -0.8594 -2.8667 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5557 -0.9400 -3.8671 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3544 -0.1394 -3.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7988 -0.6504 -2.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4177 0.1025 -1.6646 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5441 0.0557 -2.6337 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9142 -1.2952 -2.8631 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7317 0.8530 -2.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2866 0.3552 -0.9206 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8344 -0.7025 -0.4166 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3068 0.9841 -0.2218 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8238 0.4696 0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2756 0.1618 0.9352 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6871 -0.8352 -0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8937 -1.1557 -0.1651 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7709 -1.4274 -0.9074 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.4256 1.2998 2.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8110 2.6437 2.2200 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.1876 2.8295 2.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9960 3.2817 3.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6121 3.4315 1.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8108 1.2707 3.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7231 2.7862 3.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1393 1.7068 4.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8348 1.1167 3.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8194 1.6149 1.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4843 -0.4593 2.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4985 -0.9344 3.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 -0.8575 2.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6386 -0.2473 0.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2417 -2.7376 0.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1965 -2.8865 2.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1394 -2.2333 0.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9059 -3.0707 -1.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0316 -3.5316 -1.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9088 -4.4824 -1.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2626 -3.1053 -3.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2117 -1.2826 -4.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0083 0.2674 -2.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3480 -0.9749 -1.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9076 -0.6426 -4.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2364 -2.0197 -3.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6789 0.9233 -3.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5589 -0.1885 -4.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5183 -0.6469 -1.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5381 -1.7268 -2.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6341 -0.2695 -0.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 1.1837 -1.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2288 0.4569 -3.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8359 -1.2778 -3.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4836 0.9529 -2.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3570 1.8975 -1.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2796 -0.4973 1.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8055 1.1149 0.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6959 -0.1750 1.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3066 1.1805 2.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8339 0.7803 3.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8343 3.1937 1.8282 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5292 1.8868 3.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2852 3.6049 3.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9831 2.6401 4.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4794 4.2610 3.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9879 3.4983 2.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4984 3.4185 0.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7414 3.1741 0.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4856 4.5255 1.3082 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 0 7 8 1 0 8 9 1 0 9 10 2 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 16 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 22 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 28 31 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 2 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 5 41 1 0 5 42 1 0 6 43 1 0 7 44 1 0 8 45 1 0 8 46 1 0 9 47 1 0 10 48 1 0 11 49 1 0 11 50 1 0 12 51 1 0 12 52 1 0 13 53 1 0 13 54 1 0 14 55 1 0 14 56 1 0 15 57 1 0 15 58 1 0 16 59 1 0 17 60 1 0 18 61 1 0 18 62 1 0 22 63 1 0 23 64 1 0 23 65 1 0 27 66 1 0 27 67 1 0 29 68 1 0 29 69 1 0 29 70 1 0 30 71 1 0 30 72 1 0 30 73 1 0 31 74 1 0 31 75 1 0 31 76 1 0 M CHG 2 26 -1 28 1 M END