HMDB0041522 RDKit 3D 3-Isomangostin hydrate 59 62 0 0 0 0 0 0 0 0999 V2000 5.1987 3.3029 0.6668 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6235 2.1601 1.2005 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2943 1.9295 1.4655 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6911 2.2234 2.6434 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4297 2.8063 3.7038 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3562 1.9566 2.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5951 1.3923 1.8182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6797 1.1486 2.0045 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4378 0.6166 1.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7848 0.3640 1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5607 -0.2024 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0525 -0.5391 -0.9443 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7199 -0.2909 -1.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1476 -0.6040 -2.3658 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9374 0.2782 -0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4043 0.5107 -0.4084 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8883 0.2173 -1.5099 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1829 1.0694 0.5741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5304 1.3475 0.4252 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2293 1.0913 -0.8439 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1882 -0.0491 -0.7392 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7266 -1.4149 -0.4328 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9686 -2.3480 -0.4154 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9404 -1.6205 0.8085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0016 -1.9091 -1.5455 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9302 -1.1402 -1.9792 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3816 -0.8834 -1.7759 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8330 -0.8959 -0.3536 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0817 -0.0293 -0.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1730 -2.3412 0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8811 -0.4290 0.5523 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3888 3.9683 0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7633 3.9100 1.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8592 3.1120 -0.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4125 2.9962 3.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8752 2.1895 3.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2103 0.6235 2.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6104 -1.0132 -3.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6387 0.9617 -1.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8736 2.0560 -1.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8221 -0.0809 -1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9887 0.1730 0.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6141 -2.1419 0.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5529 -3.3718 -0.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4434 -2.2646 -1.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1830 -2.6237 1.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0480 -0.8469 1.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8639 -1.7151 0.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4851 -1.5620 -2.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5976 -0.7221 -2.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7813 -2.2417 -2.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9431 -1.6338 -2.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6142 0.1126 -2.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7963 1.0140 -0.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3968 -0.1140 0.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9098 -0.3787 -0.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1589 -2.6449 -0.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3980 -2.9602 -0.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0440 -2.5190 1.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 22 25 1 0 12 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 28 31 1 0 19 3 1 0 18 7 1 0 15 9 1 0 31 11 1 0 1 32 1 0 1 33 1 0 1 34 1 0 5 35 1 0 6 36 1 0 10 37 1 0 14 38 1 0 20 39 1 0 20 40 1 0 21 41 1 0 21 42 1 0 23 43 1 0 23 44 1 0 23 45 1 0 24 46 1 0 24 47 1 0 24 48 1 0 25 49 1 0 26 50 1 0 26 51 1 0 27 52 1 0 27 53 1 0 29 54 1 0 29 55 1 0 29 56 1 0 30 57 1 0 30 58 1 0 30 59 1 0 M END