HMDB0030065 RDKit 3D Colupulone 65 65 0 0 0 0 0 0 0 0999 V2000 4.9692 0.4607 -2.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8904 -0.4628 -0.9627 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0318 -0.5418 -0.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8387 -1.2023 -0.7708 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7038 -1.1096 -1.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4456 -0.7181 -1.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4133 -1.5232 -1.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4341 -2.7421 -1.8155 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9319 -1.1945 -0.5063 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0615 -2.2271 0.5617 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2228 -2.2001 1.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0393 -1.9636 2.7575 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1758 -1.9202 3.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6728 -1.7363 3.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8902 -1.3910 -1.6427 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2991 -1.1317 -1.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8906 -0.1087 -2.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1093 0.7257 -3.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3382 0.1635 -1.8764 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0144 0.1833 -0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0815 0.5495 0.4278 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0789 1.1967 -0.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0782 1.9795 1.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7679 1.6967 2.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0193 3.0736 1.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8212 4.1202 0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5714 3.7310 2.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3811 0.5538 -0.3584 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4241 1.1300 0.0176 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9391 1.0136 -2.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8700 -0.1743 -3.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1099 1.1732 -2.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5694 -1.5078 -0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7264 0.3203 -0.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7052 -0.5231 1.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7653 -1.8935 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5807 -2.1107 -2.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9155 -0.4056 -2.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4035 -2.7453 -2.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0101 -3.2727 0.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 -2.2421 1.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2472 -2.3691 1.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1294 -1.6995 3.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9528 -1.1208 4.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1965 -2.8839 4.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7195 -1.3778 4.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1941 -0.9042 2.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1131 -2.6785 3.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4973 -0.7168 -2.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7407 -2.4186 -2.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9060 -1.7309 -0.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7607 0.0662 -3.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2180 1.1872 -2.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7602 1.4866 -3.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4816 0.7375 -0.9227 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9008 -0.7900 -1.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7377 0.7600 -2.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0974 1.9332 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0650 2.7705 1.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3896 5.0353 0.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2639 4.3411 0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1111 3.6683 -0.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 4.8216 2.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1131 3.3177 3.6755 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5186 3.5415 2.9397 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 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 3 12 13 1 0 12 14 1 0 9 15 1 0 15 16 1 0 16 17 2 3 17 18 1 0 17 19 1 0 9 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 25 27 1 0 22 28 1 0 28 29 2 0 28 6 1 0 1 30 1 0 1 31 1 0 1 32 1 0 3 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 5 37 1 0 5 38 1 0 8 39 1 0 10 40 1 0 10 41 1 0 11 42 1 0 13 43 1 0 13 44 1 0 13 45 1 0 14 46 1 0 14 47 1 0 14 48 1 0 15 49 1 0 15 50 1 0 16 51 1 0 18 52 1 0 18 53 1 0 18 54 1 0 19 55 1 0 19 56 1 0 19 57 1 0 22 58 1 0 25 59 1 0 26 60 1 0 26 61 1 0 26 62 1 0 27 63 1 0 27 64 1 0 27 65 1 0 M END