HMDB0061642 RDKit 3D 3-hydroxyhexadecanoyl carnitine 74 73 0 0 0 0 0 0 0 0999 V2000 -8.8186 -0.4802 2.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5008 -0.9930 1.3159 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5498 -0.9540 0.1114 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1641 0.4987 -0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2462 0.6583 -1.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9899 -0.1509 -1.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2435 0.2661 0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9683 -0.5032 0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9778 -0.3247 -0.7445 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6281 1.1146 -0.9022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6952 1.5009 -1.9714 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 1.1123 -1.9362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0412 -0.3348 -1.9028 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5799 -0.4979 -2.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8123 -1.8864 -2.0194 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2163 0.1695 -0.8657 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7158 0.0362 -0.9402 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2851 -0.5538 -1.8850 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5241 0.5700 0.0475 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0002 0.4246 -0.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 1.8147 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9644 1.8966 -0.3717 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8092 2.3069 0.4786 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4711 1.4727 -1.6269 O 0 0 0 0 0 1 0 0 0 0 0 0 6.3161 -0.2663 1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5939 -0.7238 1.5506 N 0 0 0 0 0 4 0 0 0 0 0 0 8.1770 0.1321 2.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5620 -0.9316 0.5399 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4894 -2.0561 2.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7213 -0.6314 2.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0234 0.6160 2.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1928 -0.9956 3.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3304 -0.2832 1.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8851 -2.0209 1.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1262 -1.2639 -0.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6739 -1.5962 0.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1230 1.0702 -0.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7063 0.8346 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9857 1.7465 -1.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7401 0.3143 -2.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3508 0.0352 -1.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2459 -1.2230 -0.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9047 0.0450 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1082 1.3610 0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4700 -0.0283 1.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1311 -1.5728 0.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1417 -0.9999 -0.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5309 -0.6794 -1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2319 1.4662 0.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5896 1.7414 -0.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7408 2.6541 -2.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1259 1.1320 -2.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1444 1.6259 -0.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2402 1.6074 -2.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1235 -0.7592 -0.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4682 -0.9654 -2.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8944 -0.0238 -2.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6868 -2.1836 -1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0336 1.2418 -0.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8156 -0.3163 0.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1504 -0.1229 -0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2758 2.4500 0.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0805 2.3168 -1.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9158 0.4016 2.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6101 -1.1634 1.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5895 1.0978 2.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2187 0.3838 2.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0442 -0.2998 3.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4830 -0.3169 0.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9673 -1.9888 0.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1225 -0.9656 -0.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6931 -1.9376 2.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2141 -2.8338 1.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4744 -2.2873 2.7015 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 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 20 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 26 29 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 2 34 1 0 3 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 5 39 1 0 5 40 1 0 6 41 1 0 6 42 1 0 7 43 1 0 7 44 1 0 8 45 1 0 8 46 1 0 9 47 1 0 9 48 1 0 10 49 1 0 10 50 1 0 11 51 1 0 11 52 1 0 12 53 1 0 12 54 1 0 13 55 1 0 13 56 1 0 14 57 1 0 15 58 1 0 16 59 1 0 16 60 1 0 20 61 1 0 21 62 1 0 21 63 1 0 25 64 1 0 25 65 1 0 27 66 1 0 27 67 1 0 27 68 1 0 28 69 1 0 28 70 1 0 28 71 1 0 29 72 1 0 29 73 1 0 29 74 1 0 M CHG 2 24 -1 26 1 M END