HMDB0036596 RDKit 3D beta-Mangostin 59 61 0 0 0 0 0 0 0 0999 V2000 4.9008 -1.3297 2.7633 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5394 -1.4739 1.4034 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2387 -1.1026 1.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3435 -0.6120 1.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0638 -0.2457 1.5741 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2105 0.2235 2.4626 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0199 0.5901 2.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8392 1.0708 3.1827 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1185 1.4498 2.8672 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9379 1.9298 3.8815 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6036 1.3588 1.5512 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9085 1.7604 1.3030 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1876 3.1452 1.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7728 0.8775 0.5719 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1553 0.6641 -0.8358 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5290 1.0437 -1.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4714 0.1610 -1.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2096 -1.3133 -1.4541 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8374 0.6135 -1.8788 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4497 0.4797 0.8666 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5825 -0.0079 -0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9157 -0.1302 -1.2813 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7189 -0.3889 0.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6133 -0.8813 -0.6858 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3194 -1.0369 -1.9829 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9229 -1.2551 -0.3007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8659 -1.7786 -1.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8482 -0.7258 -1.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1436 -0.7905 -1.6196 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9843 0.3537 -2.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8074 -2.0106 -1.1164 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9477 -1.6643 2.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7509 -0.2691 3.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2307 -1.9363 3.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6211 -0.5052 2.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4857 1.1508 4.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8730 2.2119 3.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3347 3.6724 0.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0377 3.2471 0.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5257 3.6775 1.9696 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0974 -0.4389 -1.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5132 1.2762 -1.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7678 2.0861 -1.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1817 -1.8762 -1.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6816 -1.6926 -2.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6803 -1.5717 -0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5844 -0.1993 -1.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8373 1.0511 -2.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0844 1.4861 -1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5844 -0.8990 -2.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3401 -2.7210 -1.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3160 -2.0342 -2.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4016 0.2095 -2.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0152 1.0665 -1.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4790 0.9091 -2.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0195 0.0867 -2.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8140 -1.9864 -0.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8829 -2.0358 -1.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2999 -2.9394 -1.4454 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 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 9 11 2 0 11 12 1 0 12 13 1 0 11 14 1 0 14 15 1 0 15 16 1 0 16 17 2 3 17 18 1 0 17 19 1 0 14 20 2 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 24 26 2 0 26 27 1 0 27 28 1 0 28 29 2 3 29 30 1 0 29 31 1 0 26 3 1 0 23 5 2 0 20 7 1 0 1 32 1 0 1 33 1 0 1 34 1 0 4 35 1 0 8 36 1 0 10 37 1 0 13 38 1 0 13 39 1 0 13 40 1 0 15 41 1 0 15 42 1 0 16 43 1 0 18 44 1 0 18 45 1 0 18 46 1 0 19 47 1 0 19 48 1 0 19 49 1 0 25 50 1 0 27 51 1 0 27 52 1 0 28 53 1 0 30 54 1 0 30 55 1 0 30 56 1 0 31 57 1 0 31 58 1 0 31 59 1 0 M END