HMDB0059860 RDKit 3D 2-Methylbutyl hexanoate 35 34 0 0 0 0 0 0 0 0999 V2000 5.7138 -0.1503 -0.4707 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2553 -0.4043 -0.6674 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4824 0.3850 0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0134 0.1760 0.2256 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5038 0.6451 -1.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0302 0.3675 -1.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4288 -0.4972 -1.8733 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8141 1.0254 -0.2593 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1531 0.9535 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7141 -0.2848 0.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5835 -1.5468 -0.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1168 -0.0816 1.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0984 0.3741 0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9299 0.6275 0.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2505 0.1388 -1.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1835 -1.1163 -0.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9871 -1.4850 -0.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9610 -0.1672 -1.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7753 0.0992 1.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7129 1.4701 0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6942 -0.8534 0.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5085 0.8641 0.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7334 1.7246 -1.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9318 0.0550 -1.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6531 1.0676 -1.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5198 1.8079 0.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1060 -0.4796 1.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7971 -1.4373 -1.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 -2.2750 0.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6055 -2.0274 -0.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4372 -1.1026 1.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0606 0.5607 1.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6604 -0.4576 -0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8864 1.0010 0.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6952 1.0230 -0.7143 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 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 9 25 1 0 9 26 1 0 10 27 1 0 11 28 1 0 11 29 1 0 11 30 1 0 12 31 1 0 12 32 1 0 13 33 1 0 13 34 1 0 13 35 1 0 M END