HMDB0030138 RDKit 3D Adhumulone 56 56 0 0 0 0 0 0 0 0999 V2000 -2.4050 5.1734 1.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9829 4.7899 0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0349 3.3485 0.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6285 2.5223 1.5445 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3262 2.8425 0.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2696 3.5580 0.5864 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6005 1.6097 -0.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3285 0.7847 -1.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6460 1.1203 -0.9331 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1802 -0.4282 -1.6723 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7977 -1.4109 -2.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7143 -2.0110 -1.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0236 -1.9343 -1.3921 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6115 -1.2438 -2.5844 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9525 -2.5450 -0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2153 -1.0328 -0.7747 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0567 -2.1036 -0.2368 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4433 -0.2268 -0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2958 -0.4881 -1.6885 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2173 -0.5457 0.6447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6544 -1.9622 0.6592 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 -2.8538 1.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5553 -2.5021 2.7615 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8897 -4.2628 1.4638 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0281 1.2050 -0.6319 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9057 2.0769 -0.7712 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6120 4.9654 2.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5188 6.2807 1.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1515 4.6967 0.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 4.7623 1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5608 5.4333 0.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6330 3.3677 -0.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 1.6127 1.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6832 2.3282 1.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6257 3.0875 2.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3946 0.6713 -0.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7819 -0.0879 -2.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3685 -1.0531 -3.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2008 -2.2764 -2.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3095 -2.5146 -0.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7123 -1.2725 -2.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2004 -0.2289 -2.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3149 -1.8261 -3.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5721 -3.5293 -0.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9639 -2.6392 -0.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0407 -1.8583 0.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4091 0.3297 -2.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5770 -0.3849 1.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1139 0.0974 0.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2720 -2.2678 -0.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5027 -2.4512 2.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9325 -1.5462 3.1905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6342 -3.3068 3.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3509 -4.5910 2.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6857 -4.3429 0.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0322 -4.9360 1.2687 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 3 5 1 0 5 6 2 0 5 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 3 13 14 1 0 13 15 1 0 10 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 2 3 22 23 1 0 22 24 1 0 18 25 1 0 25 26 2 0 25 7 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 4 35 1 0 9 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 12 40 1 0 14 41 1 0 14 42 1 0 14 43 1 0 15 44 1 0 15 45 1 0 15 46 1 0 19 47 1 0 20 48 1 0 20 49 1 0 21 50 1 0 23 51 1 0 23 52 1 0 23 53 1 0 24 54 1 0 24 55 1 0 24 56 1 0 M END