HMDB0029511 RDKit 3D Garcinone C 56 58 0 0 0 0 0 0 0 0999 V2000 5.9084 2.9241 1.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9548 1.7180 0.8689 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2657 1.6811 -0.4312 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8508 0.8895 1.8393 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0896 -0.3189 2.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2648 -0.7759 0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8162 -1.4116 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1932 -1.5836 -0.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0300 -1.8782 -1.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6424 -1.6904 -1.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8884 -2.1309 -2.0519 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4371 -1.9968 -2.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1857 -2.4764 -3.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5421 -2.3231 -3.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3101 -2.8082 -4.1732 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1669 -1.6975 -2.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5448 -1.5537 -2.0502 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4547 -1.1910 -0.9398 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1847 -0.5349 0.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5693 0.8878 -0.1562 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3211 1.5471 0.9635 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5696 1.6160 2.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6989 0.9780 1.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5237 2.8862 0.5477 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0875 -1.3750 -1.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2976 -0.9114 0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8349 -0.3498 0.9592 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0924 -1.0528 0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8652 -0.5818 1.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3658 0.0457 2.1325 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3135 3.8049 0.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1575 3.0320 2.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7596 2.7138 0.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2238 1.3590 -0.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8192 1.0046 -1.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2932 2.7310 -0.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4970 1.1517 2.7483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8036 -1.1822 2.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4398 -0.1802 2.9913 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6635 -2.0368 -0.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4776 -2.3769 -2.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6389 -2.9608 -3.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8474 -3.2666 -4.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0729 -1.9103 -2.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9539 -0.7829 1.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2341 -1.0334 0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2145 0.8862 -1.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7102 1.5477 -0.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4758 1.5129 2.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7335 2.5943 2.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9753 0.8140 2.9224 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2507 1.7355 1.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2220 0.9492 0.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7176 0.0417 1.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4419 2.9918 -0.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5416 0.3284 2.5129 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 1 0 21 22 1 0 21 23 1 0 21 24 1 0 18 25 2 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 2 0 29 30 1 0 29 6 1 0 28 10 1 0 25 12 1 0 1 31 1 0 1 32 1 0 1 33 1 0 3 34 1 0 3 35 1 0 3 36 1 0 4 37 1 0 5 38 1 0 5 39 1 0 8 40 1 0 9 41 1 0 13 42 1 0 15 43 1 0 17 44 1 0 19 45 1 0 19 46 1 0 20 47 1 0 20 48 1 0 22 49 1 0 22 50 1 0 22 51 1 0 23 52 1 0 23 53 1 0 23 54 1 0 24 55 1 0 30 56 1 0 M END