HMDB0059850 RDKit 3D Ethyl 3-hydroxydodecanoate 45 44 0 0 0 0 0 0 0 0999 V2000 -6.8943 -0.3150 -0.8785 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5548 -0.2970 -0.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7073 0.8484 -0.6385 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3866 0.9046 0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5964 -0.3579 -0.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2508 -0.2858 0.5354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 0.8582 0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9122 0.9323 0.7388 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7953 -0.2452 0.5707 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2033 -0.5727 -0.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0812 -0.8448 -1.6166 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1607 0.3434 -1.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4684 0.4659 -0.7993 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3670 1.2465 -1.2266 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7374 -0.2760 0.3227 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9851 -0.1816 0.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9464 -1.1106 2.1768 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7542 -0.2900 -0.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0018 0.5866 -1.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0186 -1.2025 -1.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7735 -0.1937 0.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0648 -1.2713 -0.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4880 0.6990 -1.7285 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2833 1.7855 -0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4713 1.1040 1.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8169 1.7433 -0.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4858 -0.5080 -1.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1479 -1.1986 0.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7360 -1.2415 0.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4794 -0.2233 1.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9518 1.8141 0.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3425 0.9075 -1.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 1.0002 1.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3901 1.9032 0.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1997 -1.1397 0.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6535 -0.1724 1.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7261 -1.5784 -0.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3995 -1.2399 -2.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7865 1.3758 -1.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3758 -0.0293 -2.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8146 -0.5703 0.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2261 0.8519 1.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9615 -1.6135 2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0194 -0.4892 3.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7448 -1.8852 2.1521 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 10 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 10 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 16 41 1 0 16 42 1 0 17 43 1 0 17 44 1 0 17 45 1 0 M END