HMDB0041608 RDKit 3D Methional diethyl acetal 29 28 0 0 0 0 0 0 0 0999 V2000 0.5408 3.4111 0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1856 2.0841 0.7983 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1238 1.4418 -0.4348 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7698 0.1942 -0.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2382 -0.8504 -0.8338 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4469 -0.8816 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5606 -2.1706 -0.5768 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0570 -2.3045 0.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7553 0.2472 -1.3771 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0297 0.0507 -0.9078 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1088 -1.3243 -0.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 3.1677 0.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7866 3.8885 1.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1137 4.0468 -0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3017 1.5103 1.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2141 2.3022 1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1785 0.0016 0.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5699 -0.6739 -1.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2075 -1.8653 -0.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2049 -1.1201 1.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0025 0.0667 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0956 -3.3405 0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9221 -2.2132 -0.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1173 -1.5325 1.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3949 0.8387 -0.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7038 0.0519 -1.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1813 -1.6573 -0.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5926 -2.0836 -0.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7464 -1.2855 0.7765 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 4 9 1 0 9 10 1 0 10 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 6 20 1 0 6 21 1 0 8 22 1 0 8 23 1 0 8 24 1 0 10 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 11 29 1 0 M END