HMDB0041521 RDKit 3D 3-Isomangostin 56 59 0 0 0 0 0 0 0 0999 V2000 -5.3991 2.1974 -1.3466 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6775 1.9158 -0.1454 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3091 1.8936 -0.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7185 3.1527 0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4598 4.3032 0.2414 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3589 3.2644 0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 2.1015 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7072 2.2194 0.0532 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5343 1.2214 -0.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8927 1.4167 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7784 0.3808 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2963 -0.8625 -0.3184 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9251 -1.1001 -0.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5258 -2.3714 -0.5868 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0112 -0.0575 -0.2671 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3545 -0.2298 -0.3312 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7751 -1.3761 -0.5079 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1880 0.8557 -0.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5971 0.7416 -0.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1099 -0.6165 -0.4179 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5714 -0.7729 -0.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2705 -1.3489 0.4785 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6032 -1.8494 1.7089 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7442 -1.4848 0.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2324 -2.0092 -0.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4959 -1.8109 0.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0774 -0.4441 0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1992 -0.3868 -0.8274 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7339 -0.1079 1.5488 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1531 0.5656 -0.0592 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3350 1.5618 -1.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7686 3.2275 -1.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7880 2.0114 -2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4497 4.2992 0.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8391 4.1986 0.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 2.4263 0.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7389 -2.8874 -0.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8089 -1.2845 0.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7478 -1.0723 -1.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0680 -0.4556 -1.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3514 -2.0684 2.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9303 -1.0591 2.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9254 -2.6943 1.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2868 -0.6612 0.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1102 -2.4560 0.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9678 -1.5219 -0.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4170 -2.2693 -1.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7117 -2.8939 -0.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3318 -2.0878 1.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2438 -2.5491 -0.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2949 0.6783 -1.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1127 -0.7679 -0.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8850 -1.0339 -1.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9028 -0.0330 2.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4482 -0.9018 1.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2161 0.8935 1.4553 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 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 2 3 22 23 1 0 22 24 1 0 12 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 27 30 1 0 19 3 1 0 18 7 1 0 15 9 1 0 30 11 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 14 37 1 0 20 38 1 0 20 39 1 0 21 40 1 0 23 41 1 0 23 42 1 0 23 43 1 0 24 44 1 0 24 45 1 0 24 46 1 0 25 47 1 0 25 48 1 0 26 49 1 0 26 50 1 0 28 51 1 0 28 52 1 0 28 53 1 0 29 54 1 0 29 55 1 0 29 56 1 0 M END