HMDB0039435 RDKit 3D Guavin C 119129 0 0 0 0 0 0 0 0999 V2000 4.0527 -0.1770 2.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0688 -0.9580 1.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1624 -1.5871 1.9308 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1371 -0.9939 -0.0077 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3213 -1.6133 -0.9339 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0321 -2.2981 -2.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9258 -1.4071 -2.7340 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3385 -1.4883 -2.6508 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0030 -1.7910 -3.6757 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1462 -1.2527 -1.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7152 -2.4578 -0.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3750 -2.5396 0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9189 -3.7231 0.7216 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5052 -1.4070 1.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1648 -1.4535 2.2257 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9605 -0.2244 0.5318 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0662 0.9373 1.3125 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2793 -0.1112 -0.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9952 1.2949 -1.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8398 1.8235 -1.6308 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8236 3.2501 -1.8248 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8533 4.0817 -1.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7383 5.4665 -1.7652 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9884 3.5181 -1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0581 4.3558 -0.7732 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1190 2.1518 -0.8309 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3125 1.7712 -0.3753 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6183 1.2136 -2.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5547 1.5314 -3.4689 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6199 0.4859 -1.7274 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6397 -0.4040 -1.7629 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4244 0.0216 -0.9227 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1008 1.2942 -1.3356 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2783 2.5701 -0.9653 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1637 3.2484 -1.6335 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 3.3698 0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4253 4.4008 0.6453 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0423 5.2108 1.6739 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7634 6.2298 2.1977 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3032 4.9990 2.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8069 5.7845 3.1937 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0745 3.9844 1.6137 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5859 3.2132 0.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 2.3454 0.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2284 1.1052 -0.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8308 0.1064 0.4875 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6532 0.5441 1.8343 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6013 0.2983 2.4854 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7767 1.3301 2.4778 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2805 1.9642 3.6104 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7213 0.4015 2.9513 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4450 2.2198 1.4927 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7716 1.9481 1.2929 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3649 3.5734 1.9532 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6511 -1.2027 -0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1990 -2.3937 0.3773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8103 -2.9298 1.6226 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7018 -2.3554 2.2485 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4692 -3.9574 2.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5332 -4.5441 1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2421 -5.6050 2.1476 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0015 -4.0784 0.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3141 -3.0248 -0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8019 -2.5947 -1.4471 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0758 -2.9226 -1.9643 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0965 -1.8910 -1.7204 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9750 -1.4520 -2.6858 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9203 -0.4706 -2.4794 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7581 -0.0940 -3.4943 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0123 0.1310 -1.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9546 1.1326 -0.9799 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1519 -0.2876 -0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2773 0.3374 1.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2097 -1.2797 -0.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4847 -4.3178 -1.6156 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8476 -4.5512 -1.9326 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1919 -4.7068 -0.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7455 -0.9885 -1.2811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4927 -0.2695 -2.2768 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0561 0.9033 -1.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 1.8330 -2.5675 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5208 0.3339 2.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9062 -0.7548 2.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3931 0.6592 1.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5111 -2.1589 -0.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3954 -3.2509 -1.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2202 -2.5023 -2.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6678 -3.3824 -1.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8132 -4.5473 0.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3292 -0.7192 2.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5200 0.9040 2.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9244 3.7414 -2.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5763 6.0115 -1.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9116 3.9783 -0.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0988 1.4743 -0.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 -0.8529 -2.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6886 -0.0318 0.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4237 4.6096 0.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6884 6.3663 1.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3474 6.5329 3.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3975 2.8416 -0.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6556 2.8539 3.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2881 0.1324 2.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1097 2.5596 0.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7221 -0.9711 -0.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3274 -2.6834 3.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1171 -4.3319 3.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0126 -6.0244 3.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9432 -2.9307 -3.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9130 -1.9306 -3.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4796 0.6192 -3.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9795 1.5484 -0.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6816 0.0771 1.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5524 -1.5674 0.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9510 -5.0482 -2.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4634 -4.0511 -1.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0331 -4.4603 0.4937 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0613 -5.8160 -0.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3042 -1.8059 -1.8058 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 2 0 26 27 1 0 20 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 38 40 2 0 40 41 1 0 40 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 2 0 47 49 1 0 49 50 1 0 49 51 1 0 49 52 1 0 52 53 1 0 52 54 1 0 46 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 57 59 1 0 59 60 2 0 60 61 1 0 60 62 1 0 62 63 2 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 2 0 67 68 1 0 68 69 1 0 68 70 2 0 70 71 1 0 70 72 1 0 72 73 1 0 72 74 2 0 65 75 1 0 75 76 1 0 75 77 1 0 55 78 1 0 78 79 1 0 79 80 1 0 80 81 2 0 31 5 1 0 78 32 1 0 18 10 1 0 26 19 1 0 43 36 1 0 52 44 1 0 63 56 1 0 74 66 1 0 54 42 1 0 77 62 1 0 80 45 1 0 1 82 1 0 1 83 1 0 1 84 1 0 5 85 1 0 6 86 1 0 6 87 1 0 11 88 1 0 13 89 1 0 15 90 1 0 17 91 1 0 21 92 1 0 23 93 1 0 25 94 1 0 27 95 1 0 31 96 1 0 32 97 1 0 37 98 1 0 39 99 1 0 41100 1 0 44101 1 0 50102 1 0 51103 1 0 53104 1 0 55105 1 0 58106 1 0 59107 1 0 61108 1 0 65109 1 0 67110 1 0 69111 1 0 71112 1 0 73113 1 0 74114 1 0 75115 1 0 76116 1 0 77117 1 0 77118 1 0 78119 1 0 M END