HMDB0001375 RDKit 3D 3-Hydroxy-3-methylglutaryl-CoA 102104 0 0 0 0 0 0 0 0999 V2000 1.7352 -2.2865 0.3479 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2426 -1.1340 -0.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7870 -1.3074 -1.8934 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2730 -1.1692 -0.6347 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9212 -1.0791 0.5707 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5888 -1.1242 0.2868 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.2897 -1.8889 1.3751 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8424 -1.8451 -1.2327 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2139 0.4652 0.1668 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5124 0.6058 1.2163 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.9675 1.1526 2.5394 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2055 -0.8987 1.5688 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6646 1.7101 0.6916 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5005 1.1643 -0.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5398 2.1708 -0.7400 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.3157 1.5644 -1.6918 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5543 1.2776 -1.1937 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.1062 0.0408 -1.6321 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5702 -0.7862 -2.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3835 -1.8462 -2.6788 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.4512 -1.7183 -1.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5822 -2.4670 -1.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7600 -3.6993 -2.2767 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.4953 -2.0460 -0.6982 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.3007 -0.8677 -0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2051 -0.1359 -0.3240 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.2544 -0.5023 -1.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4461 1.3466 0.3331 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.6556 1.6871 0.9047 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4152 2.4477 0.4603 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.0997 3.6593 0.3716 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8329 4.6253 1.7315 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.4289 6.0346 1.3613 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2918 4.7268 2.5829 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6939 3.9227 2.7693 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6273 0.2065 0.0478 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0500 0.3085 1.3392 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1284 0.3509 0.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5506 0.1884 1.3357 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9384 0.6468 -0.9064 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3156 0.8385 -1.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3009 -0.2239 -0.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5673 -0.5797 0.5465 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3108 0.2083 1.4819 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1424 -1.8736 0.8608 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3920 -2.1932 2.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3801 -1.3485 2.9565 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0456 -1.4418 2.3987 S 0 0 0 0 0 0 0 0 0 0 0 0 10.4472 -0.7870 0.8131 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5878 -0.3197 0.1073 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8700 -0.8294 0.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0373 -0.1785 -0.9437 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5185 -0.2584 -1.3926 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2707 -0.8438 -1.8906 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6714 1.2816 -0.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4921 2.0568 0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2909 2.0258 1.3175 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5270 2.8537 -0.3911 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6094 -2.1260 1.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8096 -2.4220 0.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2241 -3.2001 -0.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4844 -0.4214 -2.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -2.2420 -2.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8797 -1.4777 -1.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5216 -2.1518 -1.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5946 -0.3596 -1.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3499 -2.6879 -1.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4853 -1.3785 0.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9796 0.2262 0.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8827 0.9234 -1.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9971 3.0503 -1.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2258 2.1366 -1.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6496 -0.6883 -3.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7263 -3.8005 -3.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9359 -4.5610 -1.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0063 -0.4831 0.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0177 0.4087 0.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6184 1.4997 1.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8386 2.3688 1.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0078 4.9168 1.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1196 4.6012 3.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2686 0.9930 -0.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6799 -0.1501 1.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3698 0.7943 -1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6689 1.7654 -0.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5078 1.1730 -2.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2875 0.1509 -1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0529 -1.1656 -1.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3389 -2.5025 0.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7864 -3.2625 2.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4297 -2.1929 2.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3577 -1.7090 4.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0176 -0.2706 2.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2498 -1.8767 0.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4501 -0.2898 1.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0496 0.6255 -1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9654 -1.2192 -1.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4779 -0.1542 -2.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7556 -1.6892 -2.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8564 1.6921 -1.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6053 1.4608 -0.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5925 3.8071 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 6 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 10 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 17 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 32 35 1 0 2 36 1 0 36 37 1 0 36 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 53 1 0 52 54 1 6 52 55 1 0 55 56 1 0 56 57 2 0 56 58 1 0 30 15 1 0 27 18 1 0 27 21 1 0 1 59 1 0 1 60 1 0 1 61 1 0 3 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 8 67 1 0 12 68 1 0 14 69 1 0 14 70 1 0 15 71 1 6 17 72 1 6 19 73 1 0 23 74 1 0 23 75 1 0 25 76 1 0 28 77 1 1 29 78 1 0 30 79 1 1 34 80 1 0 35 81 1 0 36 82 1 6 37 83 1 0 40 84 1 0 41 85 1 0 41 86 1 0 42 87 1 0 42 88 1 0 45 89 1 0 46 90 1 0 46 91 1 0 47 92 1 0 47 93 1 0 51 94 1 0 51 95 1 0 53 96 1 0 53 97 1 0 53 98 1 0 54 99 1 0 55100 1 0 55101 1 0 58102 1 0 M END