HMDB0260386 RDKit 3D 5-O-(Butanoyloxymethyl) 3-O-methyl (4R)-4-(2,3-dichlorophenyl)-2,6-dimethyl-3... 53 54 0 0 0 0 0 0 0 0999 V2000 6.7815 1.7416 -0.5888 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9547 0.6008 0.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0416 -0.5311 -0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6559 0.0256 -0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 0.1378 -1.1045 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1489 0.3937 1.1968 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8645 0.9176 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8976 -0.0255 0.9045 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5555 0.3645 1.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3748 1.5244 1.4586 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 -0.4476 0.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3922 -1.6733 0.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0212 -2.1656 0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4559 -2.6612 0.1125 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6442 -2.3197 0.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8190 -3.2599 0.3763 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8631 -0.9994 1.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2915 -0.5760 1.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2702 -1.2362 0.7579 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5156 0.6919 1.6252 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7647 1.2812 1.7827 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9744 0.1210 0.5831 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2745 0.5941 -0.7786 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7646 -0.2382 -1.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9691 0.1711 -3.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6705 1.4578 -3.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1842 2.3139 -2.5029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8069 3.9502 -2.9935 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.9891 1.8797 -1.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5064 3.1397 -0.0473 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3522 1.4241 -1.5571 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7859 2.1579 -0.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1803 2.5668 -0.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5519 0.9211 1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0070 0.2858 0.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2885 -0.8324 -1.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1562 -1.4356 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7430 1.8837 0.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 1.2030 2.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5448 -1.5966 -0.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9284 -3.2037 -0.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5443 -2.2393 1.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4322 -4.3056 0.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2784 -3.2465 1.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4864 -3.0473 -0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5793 -1.1278 2.1331 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2082 1.6201 0.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4592 0.6664 2.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6015 2.2226 2.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 0.9534 1.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0247 -1.2422 -1.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3599 -0.5708 -3.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8289 1.7697 -4.4773 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 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 17 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 27 29 2 0 29 30 1 0 22 11 1 0 29 23 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 2 35 1 0 3 36 1 0 3 37 1 0 7 38 1 0 7 39 1 0 13 40 1 0 13 41 1 0 13 42 1 0 16 43 1 0 16 44 1 0 16 45 1 0 17 46 1 0 21 47 1 0 21 48 1 0 21 49 1 0 22 50 1 0 24 51 1 0 25 52 1 0 26 53 1 0 M END