HMDB0040168 RDKit 3D Glycerol 1-(5-hydroxydodecanoate) 50 49 0 0 0 0 0 0 0 0999 V2000 5.6814 -2.3433 -0.8445 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4766 -2.0593 -0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3081 -0.6272 0.3646 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1936 0.3072 -0.8002 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0384 1.7216 -0.2886 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 1.9350 0.5575 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5824 1.6396 -0.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3709 1.8777 0.6593 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4434 1.0415 1.7309 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8935 1.8434 -0.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1028 2.0858 0.6926 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3279 1.0107 1.7098 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4928 -0.2636 0.9668 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 -1.0899 0.9348 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6769 -0.4987 0.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9725 -1.6634 -0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3837 -1.4462 -0.9682 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8481 -2.5002 -1.7079 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2706 -1.1340 0.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3420 -2.2689 1.0381 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5116 -1.6500 -0.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5203 -2.2866 -1.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0641 -3.3906 -0.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5651 -2.6806 0.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5726 -2.4669 -0.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1887 -0.2975 0.9797 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3723 -0.5549 0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3104 0.0747 -1.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1538 0.3013 -1.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8872 2.3439 -1.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9212 2.1186 0.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7900 3.0368 0.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8569 1.4340 1.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5416 2.2810 -1.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5381 0.5915 -0.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4392 2.9299 1.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8123 0.1628 1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0171 0.8301 -0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7971 2.5921 -0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0147 2.2442 0.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0075 3.0804 1.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3434 1.2299 2.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6104 0.9434 2.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9543 -2.5199 0.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2429 -1.7948 -1.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3001 -0.5306 -1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5059 -2.4512 -2.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8021 -0.3141 0.8058 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2842 -0.8134 -0.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1906 -2.0115 1.9673 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 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 8 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 16 44 1 0 16 45 1 0 17 46 1 0 18 47 1 0 19 48 1 0 19 49 1 0 20 50 1 0 M END