HMDB0035795 RDKit 3D gamma-Mangostin 53 55 0 0 0 0 0 0 0 0999 V2000 6.2223 2.6561 0.9022 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8049 1.7278 -0.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8306 1.0053 -0.9479 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5359 1.5601 -0.4381 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9587 0.6664 -1.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9768 -0.2504 -0.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3789 -1.3427 -0.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7648 -1.5598 0.0099 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5027 -2.2009 0.5447 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1335 -1.9428 0.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2482 -2.7138 0.9906 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0403 -2.4548 0.8648 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9328 -3.3050 1.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3053 -3.0844 1.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1773 -3.9555 2.0388 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7634 -2.0076 0.6745 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1226 -1.7702 0.5702 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8948 -1.1181 0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4545 0.0180 -0.7333 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8367 1.1569 0.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0281 1.6863 0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3107 2.8444 1.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1364 1.2239 -0.7434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5427 -1.3822 0.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6313 -0.5600 -0.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0114 0.4240 -1.1129 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7217 -0.8545 -0.3074 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6132 -0.0008 -0.9309 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1284 1.0585 -1.6381 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5569 2.5974 1.8004 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1602 3.7026 0.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2506 2.4784 1.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5666 0.8949 -2.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9237 -0.0150 -0.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8452 1.4575 -0.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8169 2.1492 0.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5744 1.1714 -2.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7815 -0.0146 -1.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1028 -2.3640 0.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8496 -3.0409 1.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5549 -4.1592 2.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1710 -3.8902 2.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8262 -2.3341 0.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4991 -0.3924 -1.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0421 0.2398 -1.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0701 1.5517 0.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3838 3.3008 1.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8894 3.5792 0.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9730 2.5158 1.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6124 0.3217 -0.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8084 0.9538 -1.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9103 2.0449 -0.8384 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6801 1.7272 -2.1151 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 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 2 3 21 22 1 0 21 23 1 0 18 24 2 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 2 0 28 29 1 0 28 6 1 0 27 10 1 0 24 12 1 0 1 30 1 0 1 31 1 0 1 32 1 0 3 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 5 37 1 0 5 38 1 0 8 39 1 0 9 40 1 0 13 41 1 0 15 42 1 0 17 43 1 0 19 44 1 0 19 45 1 0 20 46 1 0 22 47 1 0 22 48 1 0 22 49 1 0 23 50 1 0 23 51 1 0 23 52 1 0 29 53 1 0 M END