HMDB0029510 RDKit 3D Garcinone B 51 54 0 0 0 0 0 0 0 0999 V2000 -7.0809 -0.1460 -0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2388 0.9507 0.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8578 1.9039 1.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9745 1.1501 -0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2527 0.2811 -1.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0174 -0.3292 -0.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1166 -1.3873 0.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3948 -1.8657 0.7447 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9873 -1.9631 1.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7185 -1.4999 0.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3392 -2.0495 1.2794 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5722 -1.6517 1.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6402 -2.2934 1.6681 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9044 -1.8548 1.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0044 -2.4841 2.0171 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1368 -0.7881 0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0414 -0.1622 -0.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7381 -0.5877 0.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6565 0.0212 -0.4295 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7027 0.9758 -1.2252 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6142 -0.4434 -0.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7501 0.1339 -0.7171 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5887 1.1846 -1.5833 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2574 0.9361 -0.9922 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5093 1.3192 -1.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6920 0.6883 -0.5953 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6948 0.2590 -1.6738 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4440 1.7291 0.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4074 -0.3612 0.2714 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1781 0.1158 -0.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9675 -0.3013 -1.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9593 -1.1068 0.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0454 2.8825 0.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1194 2.0891 1.9889 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8352 1.5324 1.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4054 1.9802 0.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0592 0.8085 -1.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9660 -0.5509 -1.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4823 -2.6294 1.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 -2.7873 1.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4326 -3.1208 2.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9480 -2.1862 1.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2633 1.7089 -2.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5141 1.4663 -1.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7188 2.1491 -1.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 0.8256 -1.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2128 0.4492 -2.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8665 -0.8251 -1.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7837 2.5601 -0.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3419 1.2061 0.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8217 2.0682 1.1076 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 17 18 2 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 2 0 22 23 1 0 17 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 26 28 1 0 26 29 1 0 22 6 1 0 21 10 1 0 18 12 1 0 29 16 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 23 43 1 0 24 44 1 0 25 45 1 0 27 46 1 0 27 47 1 0 27 48 1 0 28 49 1 0 28 50 1 0 28 51 1 0 M END