HMDB0035374 RDKit 3D Oxepahyperforin 92 94 0 0 0 0 0 0 0 0999 V2000 6.2798 -1.7219 1.9272 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0017 -0.9717 1.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 0.3702 2.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9663 -1.5353 1.2394 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6234 -0.8251 1.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3484 -0.7030 -0.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0924 -0.0238 -0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2844 -0.0780 -2.3382 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1145 1.4016 -0.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0539 2.2627 -1.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0044 3.6791 -0.7282 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6621 4.6824 -1.5442 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6134 6.0865 -1.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3289 4.3400 -2.9511 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2343 2.0275 -0.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2955 1.3349 0.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7018 2.1662 1.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7386 1.4848 2.2886 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7210 1.1789 3.5573 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9139 0.4646 4.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5626 1.5411 4.4057 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5735 1.2374 -0.4814 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3686 2.0581 -0.7892 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5263 -0.2504 -0.7823 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7453 -0.7303 -1.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6997 -2.1751 -1.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8242 -2.6923 -2.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7572 -4.1923 -3.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0298 -1.8952 -4.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2123 -0.7159 0.4736 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9519 -0.0936 0.6618 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 -0.1823 1.8849 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2068 -0.7183 -0.4998 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1449 -2.1823 -0.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6141 -2.6732 -1.5276 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2823 -3.2235 0.4019 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0231 -4.5965 -0.2738 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 -3.3721 1.7778 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2501 -0.4053 -1.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2101 -0.2781 -2.7263 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4695 -2.3330 1.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2744 -2.4477 2.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1538 -1.0535 2.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5944 1.1513 1.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9335 0.6740 2.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2617 0.3542 3.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0280 -2.5275 0.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8038 0.1905 1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8997 -1.2938 1.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1789 -0.0653 -0.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5221 -1.6672 -0.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3596 -0.0679 -2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 0.7177 -2.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9069 -1.0660 -2.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5193 1.4652 0.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9135 2.2767 -2.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1286 1.9501 -1.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2528 3.9332 0.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9192 6.6381 -1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1194 6.0808 -0.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 6.5729 -1.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1244 5.2805 -3.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4224 3.7136 -3.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2178 3.8894 -3.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1562 3.0892 -0.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5447 2.1365 -1.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2152 3.0678 1.0591 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8617 2.5926 2.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6392 1.2014 1.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5224 -0.4020 4.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4573 1.1654 4.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5757 0.1095 3.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0682 2.4500 4.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8945 1.7904 5.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 0.6737 4.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6621 -0.5101 -0.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8271 -0.2161 -2.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5530 -2.8272 -0.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3478 -4.6847 -2.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1752 -4.5201 -4.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7296 -4.5645 -2.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8555 -2.5270 -5.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3709 -1.0189 -4.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0743 -1.4715 -4.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0812 0.5031 2.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3847 -3.2414 0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3862 -4.4626 -1.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0511 -4.8398 -0.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6577 -5.3593 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0743 -4.4150 2.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3468 -3.4267 1.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2284 -2.7394 2.5467 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 1 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 1 0 17 18 1 0 18 19 2 3 19 20 1 0 19 21 1 0 16 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 2 3 27 28 1 0 27 29 1 0 24 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 36 38 1 0 33 39 1 0 39 40 2 0 33 7 1 0 31 16 1 0 39 24 1 0 1 41 1 0 1 42 1 0 1 43 1 0 3 44 1 0 3 45 1 0 3 46 1 0 4 47 1 0 5 48 1 0 5 49 1 0 6 50 1 0 6 51 1 0 8 52 1 0 8 53 1 0 8 54 1 0 9 55 1 0 10 56 1 0 10 57 1 0 11 58 1 0 13 59 1 0 13 60 1 0 13 61 1 0 14 62 1 0 14 63 1 0 14 64 1 0 15 65 1 0 15 66 1 0 17 67 1 0 17 68 1 0 18 69 1 0 20 70 1 0 20 71 1 0 20 72 1 0 21 73 1 0 21 74 1 0 21 75 1 0 25 76 1 0 25 77 1 0 26 78 1 0 28 79 1 0 28 80 1 0 28 81 1 0 29 82 1 0 29 83 1 0 29 84 1 0 32 85 1 0 36 86 1 0 37 87 1 0 37 88 1 0 37 89 1 0 38 90 1 0 38 91 1 0 38 92 1 0 M END