HMDB0030105 RDKit 3D Humulinone 57 57 0 0 0 0 0 0 0 0999 V2000 5.4967 -1.6302 -0.8807 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9968 -0.7652 0.2311 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8620 0.3057 0.8192 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7704 -0.9716 0.6861 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8474 -2.0150 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6119 -1.3980 -0.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5756 -1.1678 -1.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5077 -1.1031 0.5595 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 -1.4850 1.8770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7484 -1.7830 0.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8151 -3.0831 -0.3457 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7647 -0.9899 0.4728 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1511 -1.3696 0.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4396 -2.4822 -0.2485 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2170 -0.4270 0.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5968 -0.9195 0.2631 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9993 -2.1594 0.9771 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7722 -1.1685 -1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2733 0.2803 1.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9643 1.0757 1.6761 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1495 0.3373 0.6233 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8946 0.9804 1.6126 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 1.0604 -0.7003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1131 2.4870 -0.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7175 3.4965 -0.7621 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2579 4.8906 -0.5392 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0852 3.2260 -1.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9481 -1.3368 -1.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3788 -2.6923 -0.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5620 -1.3431 -1.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5794 1.2867 0.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9315 0.0266 0.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7454 0.3376 1.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4365 -0.3148 1.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3498 -2.6462 -0.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5804 -2.6834 1.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5391 -0.8288 2.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9207 -3.2857 -1.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0641 0.4844 -0.0756 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1656 -0.0377 1.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3057 -0.1001 0.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1665 -2.8047 1.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6981 -2.8068 0.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5702 -1.8997 1.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2557 -0.3409 -1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8637 -1.0908 -1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4032 -2.1639 -1.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7412 1.3616 1.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3904 0.5987 -1.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3393 1.0710 -1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1203 2.6492 -0.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3635 5.4607 -1.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8173 4.9400 -0.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8152 5.3952 0.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6208 4.2019 -1.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 2.7042 -2.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6933 2.6359 -0.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 12 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 2 3 25 26 1 0 25 27 1 0 21 8 1 0 1 28 1 0 1 29 1 0 1 30 1 0 3 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 9 37 1 0 11 38 1 0 15 39 1 0 15 40 1 0 16 41 1 0 17 42 1 0 17 43 1 0 17 44 1 0 18 45 1 0 18 46 1 0 18 47 1 0 22 48 1 0 23 49 1 0 23 50 1 0 24 51 1 0 26 52 1 0 26 53 1 0 26 54 1 0 27 55 1 0 27 56 1 0 27 57 1 0 M END