HMDB0032406 RDKit 3D 5-Methylhexyl acetate 29 28 0 0 0 0 0 0 0 0999 V2000 5.0738 1.1015 0.7289 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9944 0.1022 0.8947 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2402 -0.9095 1.6004 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7471 0.2095 0.3289 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7362 -0.7660 0.5079 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5064 -0.3091 -0.2607 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6275 -1.2885 -0.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8323 -0.8379 -0.8852 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3812 0.4800 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6058 0.7911 -1.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8304 0.4430 1.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6618 0.7919 -0.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7704 1.1212 1.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6299 2.1091 0.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5186 -0.9756 1.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0789 -1.7207 0.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1776 0.6682 0.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 -0.2318 -1.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2974 -2.2621 -0.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8954 -1.4474 0.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5103 -0.7073 -1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6330 -1.6005 -0.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6197 1.2940 -0.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7941 -0.0208 -2.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5227 0.8603 -0.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5022 1.7778 -1.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7270 -0.6003 1.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2357 1.1577 1.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8868 0.7699 1.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 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 9 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 5 15 1 0 5 16 1 0 6 17 1 0 6 18 1 0 7 19 1 0 7 20 1 0 8 21 1 0 8 22 1 0 9 23 1 0 10 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