HMDB0241705 RDKit 3D 3-Hydroxy-6-octenoylcarnitine 48 47 0 0 0 0 0 0 0 0999 V2000 6.2893 1.6285 -0.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6979 0.2030 -0.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8386 -0.7192 0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4237 -0.3149 0.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4778 -0.9868 -0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0485 -0.6107 -0.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2734 -1.3002 -1.2017 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6506 -1.1553 1.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2191 -0.8129 1.4255 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2828 -1.1876 2.4998 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 -0.0917 0.5797 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9474 0.2580 0.8566 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0604 1.7238 1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6755 2.5715 -0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2541 2.2116 -1.2017 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 3.9492 0.0827 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.7797 -0.4266 -0.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1961 -0.2880 -0.1033 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.6769 0.8808 -0.8257 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8182 -0.2956 1.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8277 -1.4172 -0.8393 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9066 1.9926 0.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1685 2.2810 -0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4635 1.8048 -0.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -0.0584 -0.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0849 -1.7745 0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2096 -0.6065 1.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3084 0.7839 0.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5506 -2.0930 -0.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7684 -0.8369 -1.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 0.4764 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0866 -2.2185 -0.8674 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2564 -0.7395 1.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8067 -2.2489 1.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1137 -0.1979 1.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3168 1.9771 1.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0115 2.0954 1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5823 -1.5392 0.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4679 -0.2687 -1.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2061 0.9550 -1.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6473 1.8090 -0.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7693 0.6836 -1.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9036 -0.5711 1.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8856 0.6619 1.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4568 -1.1265 1.8409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2590 -1.5671 -1.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8886 -1.1969 -1.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7242 -2.2965 -0.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 12 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 18 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 17 38 1 0 17 39 1 0 19 40 1 0 19 41 1 0 19 42 1 0 20 43 1 0 20 44 1 0 20 45 1 0 21 46 1 0 21 47 1 0 21 48 1 0 M CHG 2 16 -1 18 1 M END