HMDB0035796 RDKit 3D alpha-Mangostin 56 58 0 0 0 0 0 0 0 0999 V2000 -5.1601 -3.4866 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9111 -2.1425 -0.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7498 -1.6780 -0.9246 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5968 -1.6144 -2.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6592 -2.0381 -3.1079 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4271 -1.1456 -2.8107 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3943 -0.7325 -2.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2873 -0.2833 -2.5395 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7186 0.1263 -1.8107 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8805 0.5977 -2.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9452 1.0324 -1.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1171 1.5083 -2.2904 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8880 1.0116 -0.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0172 1.4748 0.5485 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1134 0.4720 0.5888 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3485 0.7503 0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7894 2.0679 -0.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3866 -0.3411 0.3263 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7197 0.5369 0.3366 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7061 0.5333 1.6827 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6622 0.1054 -0.4358 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4887 -0.3627 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6215 -0.4107 1.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5428 -0.7945 -0.6234 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7226 -1.2693 -0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9308 -1.3815 1.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6284 -0.2336 1.9738 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0136 0.9186 1.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8598 1.4532 0.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7320 1.8410 2.4971 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6252 -3.5146 1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8642 -3.9708 -0.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2365 -4.0967 -0.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5069 -2.3779 -2.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3222 -1.1039 -3.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9578 0.6279 -3.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1657 1.5279 -3.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6514 1.5814 1.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3462 2.4589 0.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8269 -0.5319 0.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7840 2.0583 -0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9536 2.6908 0.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1046 2.6290 -0.8371 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9024 -1.3374 0.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0073 -0.1958 1.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0075 -0.2336 -0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1158 0.2946 2.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0678 -1.6241 2.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6561 -2.2976 1.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8749 -0.4039 3.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4203 0.9759 -0.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8051 1.6485 -0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2808 2.5220 0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7249 1.3993 3.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7528 1.9314 2.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2518 2.8270 2.4516 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 1 0 11 13 2 0 13 14 1 0 14 15 1 0 15 16 2 3 16 17 1 0 16 18 1 0 13 19 1 0 19 20 1 0 19 21 2 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 27 28 2 3 28 29 1 0 28 30 1 0 25 3 1 0 24 7 1 0 21 9 1 0 1 31 1 0 1 32 1 0 1 33 1 0 5 34 1 0 6 35 1 0 10 36 1 0 12 37 1 0 14 38 1 0 14 39 1 0 15 40 1 0 17 41 1 0 17 42 1 0 17 43 1 0 18 44 1 0 18 45 1 0 18 46 1 0 20 47 1 0 26 48 1 0 26 49 1 0 27 50 1 0 29 51 1 0 29 52 1 0 29 53 1 0 30 54 1 0 30 55 1 0 30 56 1 0 M END