HMDB0059822 RDKit 3D Ethyl 5-methylhexanoate 29 28 0 0 0 0 0 0 0 0999 V2000 4.5191 -0.1776 -0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5382 -0.9224 0.5906 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2029 -0.7427 0.1975 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6785 0.5379 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3933 1.4870 0.5347 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2415 0.7993 -0.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3974 -0.5124 -0.5833 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.4267 -1.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8401 0.1229 -0.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7381 1.5203 0.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0965 -0.8259 1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1502 -0.1119 -1.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4723 -0.7620 -0.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7538 0.7968 0.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6347 -0.5745 1.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7843 -2.0014 0.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3061 1.4750 -1.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 1.2774 0.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -1.2639 0.2271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2078 -0.9488 -1.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1731 -1.4458 -1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 0.1367 -2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8053 0.0359 -0.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7738 1.9755 0.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4335 1.6723 1.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1469 2.1342 -0.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7783 -1.6464 0.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1323 -1.3199 1.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5023 -0.2888 1.8698 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 1 0 9 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 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