HMDB0032328 RDKit 3D Hexyl nonanoate 47 46 0 0 0 0 0 0 0 0999 V2000 -6.7864 1.2625 -1.6382 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9890 0.8253 -0.4383 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7472 0.1418 -0.9224 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8761 -0.3353 0.2417 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6757 -0.9963 -0.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6952 -1.5301 0.6321 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1507 -0.4729 1.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4141 0.6251 0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7703 0.0829 0.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 0.8593 -0.7057 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1451 -1.2095 0.3045 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2041 -1.8975 -0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5370 -1.5393 0.3278 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9593 -0.1388 0.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3939 0.0190 0.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7530 1.4699 0.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 1.8040 -0.8899 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4952 0.4785 -1.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1106 1.5612 -2.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4231 2.1680 -1.4149 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5514 0.1167 0.1986 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7190 1.7100 0.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0101 -0.7433 -1.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1157 0.8437 -1.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4473 -1.0751 0.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6316 0.5212 0.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0398 -1.8476 -0.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1322 -0.3264 -1.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2112 -2.3038 1.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9365 -2.1076 0.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3876 -0.9291 2.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 -0.0062 2.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0273 1.3972 1.5014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1361 1.0787 0.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2143 -1.7531 -1.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0115 -3.0143 -0.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5925 -1.7790 1.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2985 -2.2640 -0.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3725 0.5806 0.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9504 0.1914 -0.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3652 -0.3188 1.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0355 -0.5907 0.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7685 1.6591 1.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0579 2.1404 1.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5759 2.4424 -1.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7514 2.3280 -1.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7689 0.8716 -1.4724 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 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 13 38 1 0 14 39 1 0 14 40 1 0 15 41 1 0 15 42 1 0 16 43 1 0 16 44 1 0 17 45 1 0 17 46 1 0 17 47 1 0 M END