HMDB0039269 RDKit 3D Guavin A 128139 0 0 0 0 0 0 0 0999 V2000 -2.2702 -0.8870 -4.2211 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1782 -0.1730 -3.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 0.8446 -3.2313 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5503 1.1282 -1.8518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4918 2.1401 -1.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6282 3.1579 -0.6411 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6022 3.9969 -0.3287 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7204 3.7884 -0.7459 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7789 5.1533 0.4339 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0207 5.4731 0.8833 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2634 6.5869 1.6642 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1134 4.6384 0.5623 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8985 3.5057 -0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0567 2.7330 -0.4584 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2605 3.0785 0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3758 2.2071 -0.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6515 1.6661 -1.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6946 0.7605 -1.5883 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4905 0.3747 -0.5029 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5086 -0.5226 -0.6569 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2287 0.9148 0.7494 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9745 0.5670 1.8385 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2023 1.7974 0.8526 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5262 4.5394 0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4814 4.9496 -1.2773 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4445 5.1916 0.9065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 0.8949 -1.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7568 -0.0497 -1.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4349 -1.2466 -1.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4103 -2.2553 -0.7623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2078 -2.6623 -1.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 -3.7945 -0.5726 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2573 -4.4577 0.5041 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5763 -5.5817 1.0563 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4286 -4.0192 0.9431 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1254 -4.5785 1.9967 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9814 -2.8836 0.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2069 -2.3288 0.6434 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1155 -0.9635 0.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4848 -0.7118 0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4836 -0.0994 1.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6781 -0.9481 1.8809 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2853 0.5589 1.9827 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5281 0.8484 0.3793 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8709 1.5661 1.2344 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2497 -2.0669 -2.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2679 -2.9941 -2.9603 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1898 -0.8754 -2.4171 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6319 0.4280 -2.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6660 0.2603 -1.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5433 1.4271 -1.0532 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4626 1.4378 -2.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4553 2.4830 -2.9184 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2706 0.3417 -2.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -0.4097 -3.7176 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6311 -1.5346 -4.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2090 -2.1074 -5.3301 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6225 -2.0191 -3.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2272 -3.2114 -3.8391 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0033 -1.3869 -2.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0536 -1.9734 -1.5214 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3711 -0.2652 -1.7909 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0515 0.4707 -0.6916 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6221 0.9493 0.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5500 1.7074 1.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8766 1.9625 0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6233 2.7475 1.7739 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2086 1.4885 -0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5742 1.7667 -0.7108 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4011 0.7620 -1.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8880 0.3117 -2.2915 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3735 0.7509 1.2875 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 0.1700 2.4651 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1228 1.0489 0.9947 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8096 1.1643 1.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2246 -0.0333 0.2909 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9816 -1.0862 0.9672 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4257 -2.0286 1.7595 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1576 -2.0433 1.9026 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1395 -3.0562 2.5021 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5049 -3.0602 2.5596 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2775 -3.8466 3.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5985 -3.9162 3.4362 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -4.8183 4.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3107 -5.6151 4.9311 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1574 -4.8686 4.1412 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4291 -5.7268 4.8838 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5387 -3.9316 3.2656 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9085 0.3013 -1.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1891 2.4107 -2.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4454 4.4189 -0.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0826 5.7973 0.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2357 6.7735 2.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0240 2.9651 1.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0446 1.9425 -2.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9236 0.2989 -2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0561 -0.8275 0.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7210 -0.0737 1.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0129 2.2436 1.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5158 4.7415 0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7349 4.2487 -1.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5237 6.2875 0.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7382 5.0915 1.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1740 -1.7680 -1.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -4.2347 -0.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0583 -6.0971 1.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7753 -5.3527 2.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8383 -0.8881 0.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3100 -1.6075 2.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6835 1.2980 2.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 0.7990 -3.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3607 -0.5490 -1.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1843 0.0074 -4.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4531 -1.6613 -5.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9188 -3.7133 -3.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5174 -2.7730 -1.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3177 2.1148 2.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5662 3.0060 1.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8735 1.4384 -1.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7444 0.3881 -2.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4438 2.1071 0.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3075 0.9479 2.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1782 -0.1479 0.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0206 -2.3317 1.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0503 -4.5367 4.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0395 -6.3217 5.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7049 -6.4218 5.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4501 -4.0231 3.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 2 0 15 24 1 0 24 25 1 0 24 26 1 0 5 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 33 35 1 0 35 36 1 0 35 37 2 0 37 38 1 0 38 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 41 43 1 0 41 44 1 0 44 45 2 0 31 46 1 0 46 47 2 0 46 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 56 58 2 0 58 59 1 0 58 60 1 0 60 61 1 0 60 62 2 0 62 63 1 0 63 64 2 0 64 65 1 0 65 66 2 0 66 67 1 0 66 68 1 0 68 69 1 0 68 70 2 0 70 71 1 0 64 72 1 0 72 73 2 0 72 74 1 0 74 75 1 0 75 76 1 0 76 77 1 0 77 78 1 0 78 79 2 0 78 80 1 0 80 81 2 0 81 82 1 0 82 83 1 0 82 84 2 0 84 85 1 0 84 86 1 0 86 87 1 0 86 88 2 0 28 2 1 0 39 29 1 0 76 50 1 0 88 80 1 0 49 4 1 0 62 54 1 0 70 63 1 0 13 6 1 0 23 16 1 0 44 27 1 0 26 12 1 0 37 30 1 0 4 89 1 0 5 90 1 0 8 91 1 0 9 92 1 0 11 93 1 0 15 94 1 0 17 95 1 0 18 96 1 0 20 97 1 0 22 98 1 0 23 99 1 0 24100 1 0 25101 1 0 26102 1 0 26103 1 0 29104 1 0 32105 1 0 34106 1 0 36107 1 0 40108 1 0 42109 1 0 43110 1 0 49111 1 0 50112 1 0 55113 1 0 57114 1 0 59115 1 0 61116 1 0 65117 1 0 67118 1 0 69119 1 0 71120 1 0 75121 1 0 75122 1 0 76123 1 0 81124 1 0 83125 1 0 85126 1 0 87127 1 0 88128 1 0 M END