HMDB0038552 RDKit 3D 6-Deoxy-gamma-mangostin 52 54 0 0 0 0 0 0 0 0999 V2000 -4.2682 2.6708 -0.7564 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7677 1.7144 0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4445 2.2337 1.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6253 0.4255 0.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9553 -0.1281 -1.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7944 -0.9623 -0.6834 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0227 -2.1857 -0.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3439 -2.6323 -0.0221 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9807 -3.0074 0.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7039 -2.5441 0.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2962 -3.2874 0.4575 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5350 -2.9349 0.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 -3.8054 0.7762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8082 -3.4306 0.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1156 -2.2098 0.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4460 -1.8406 0.0446 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1679 -1.2692 -0.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6328 0.0180 -0.8395 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0912 0.9536 0.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6689 2.1862 0.3973 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6686 2.8974 -0.4313 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2513 2.9820 1.5492 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8613 -1.6790 -0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8256 -0.8591 -0.5766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1189 0.2504 -1.0467 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4784 -1.2880 -0.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5040 -0.4591 -0.8482 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3384 0.7780 -1.3802 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1646 2.7049 -0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6859 2.3977 -1.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5872 3.7106 -0.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8844 1.8567 2.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4706 1.7844 1.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5120 3.3394 1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9959 -0.2852 0.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6810 -0.7831 -1.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6390 0.6733 -1.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5517 -3.5414 0.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 -3.9739 0.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2695 -4.7703 1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5889 -4.0992 0.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1997 -2.4482 0.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1323 0.4556 -1.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6571 -0.2585 -1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8512 0.5841 0.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9555 3.9773 -0.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6447 2.8548 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6462 2.5197 -1.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2062 4.0636 1.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3128 2.6547 1.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6856 2.7037 2.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5701 1.2924 -1.5731 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 2 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 2 3 20 21 1 0 20 22 1 0 17 23 2 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 2 0 27 28 1 0 27 6 1 0 26 10 1 0 23 12 1 0 1 29 1 0 1 30 1 0 1 31 1 0 3 32 1 0 3 33 1 0 3 34 1 0 4 35 1 0 5 36 1 0 5 37 1 0 8 38 1 0 9 39 1 0 13 40 1 0 14 41 1 0 16 42 1 0 18 43 1 0 18 44 1 0 19 45 1 0 21 46 1 0 21 47 1 0 21 48 1 0 22 49 1 0 22 50 1 0 22 51 1 0 28 52 1 0 M END