HMDB0037711 RDKit 3D 4-Methylphenyl dodecanoate 51 51 0 0 0 0 0 0 0 0999 V2000 7.4678 0.6348 0.6197 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0398 0.7820 1.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4466 -0.5786 1.3655 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3925 -1.4715 0.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7046 -1.0750 -1.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2577 -0.7680 -1.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7751 0.3844 -0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 0.5529 -0.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5346 -0.6537 0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9706 -0.4994 -0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4103 0.6708 0.7563 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9037 0.8278 0.6315 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5164 1.7435 1.2337 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6664 -0.0282 -0.1507 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0540 0.1231 -0.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6453 0.8887 -1.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0204 0.9723 -1.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7990 0.2918 -0.3148 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2838 0.3584 -0.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1971 -0.4905 0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8276 -0.5525 0.6555 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4933 0.0161 -0.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9228 1.6055 0.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0565 0.1695 1.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0803 1.3372 2.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4849 1.3699 0.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2243 -1.0897 2.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5489 -0.5718 1.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4618 -1.7360 -0.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9742 -2.4602 0.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2957 -0.2215 -1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8928 -1.9105 -1.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6963 -1.7033 -0.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8998 -0.6988 -2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1962 1.3702 -0.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9734 0.3817 0.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0721 0.7853 -1.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0191 1.4747 0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7731 -1.5319 -0.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7834 -0.9159 1.0976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2344 -0.4049 -1.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4119 -1.4500 0.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1392 0.4810 1.8099 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9702 1.6203 0.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0351 1.4190 -1.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5495 1.5698 -1.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7089 -0.4952 0.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6339 1.3068 0.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6060 0.3486 -1.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8018 -1.0118 1.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3448 -1.1672 1.4194 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 2 0 12 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 21 15 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 11 43 1 0 11 44 1 0 16 45 1 0 17 46 1 0 19 47 1 0 19 48 1 0 19 49 1 0 20 50 1 0 21 51 1 0 M END