HMDB0038210 RDKit 3D Humulene epoxide II 40 41 0 0 0 0 0 0 0 0999 V2000 1.3506 3.2978 0.9125 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8145 2.1680 0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4898 2.0535 -0.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1314 1.0114 -0.8707 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0804 0.1201 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9317 0.2881 1.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4888 0.6824 -0.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0998 -1.2573 -0.5554 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0819 -2.0554 -0.3636 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1076 -1.6284 0.3478 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4064 -1.9627 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6555 -3.4435 -0.6108 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7569 -1.1955 -1.5049 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5088 -1.1099 -0.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3776 0.2400 0.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7466 1.2646 -0.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 3.8421 0.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5436 3.9306 1.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9571 2.8309 1.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 2.7820 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5179 0.3309 -1.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7123 1.5681 -1.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7818 -0.6911 1.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1469 1.0432 1.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8544 0.6959 1.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5733 0.9349 -1.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2071 -0.1118 -0.0723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6087 1.5967 0.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9473 -1.7009 -1.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0908 -3.0937 -0.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1661 -2.2562 1.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2055 -0.6062 0.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1784 -3.7951 -1.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7574 -3.6076 -0.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3746 -4.0513 0.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5404 -1.5519 -0.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8617 0.2592 1.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4260 0.5733 0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 1.9001 -0.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4571 0.7047 -1.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 5 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 2 1 0 14 11 1 0 1 17 1 0 1 18 1 0 1 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 6 23 1 0 6 24 1 0 6 25 1 0 7 26 1 0 7 27 1 0 7 28 1 0 8 29 1 0 9 30 1 0 10 31 1 0 10 32 1 0 12 33 1 0 12 34 1 0 12 35 1 0 14 36 1 0 15 37 1 0 15 38 1 0 16 39 1 0 16 40 1 0 M END