HMDB0001356 RDKit 3D 2-Methyl-3-hydroxybutyryl-CoA 99101 0 0 0 0 0 0 0 0999 V2000 -11.4071 -1.8680 -1.4981 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4526 -0.4004 -1.1769 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.5462 0.2380 -2.0461 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0048 -0.1159 0.2724 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.9253 -0.8630 1.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0958 1.3470 0.4855 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4645 2.0801 -0.4558 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7110 2.1282 2.0047 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.9824 1.0286 3.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5646 0.6004 2.8929 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7054 1.7755 2.8161 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3190 1.6976 2.5438 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7896 0.5960 2.3606 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5230 2.9468 2.4815 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0945 2.6314 2.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8876 1.9270 0.9758 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5883 1.5626 0.5301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6129 1.8789 1.2428 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3577 0.8330 -0.7323 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5981 0.5308 -1.3292 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6077 -0.4449 -0.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3794 -1.3392 0.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6108 -1.1477 -1.9307 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1633 -0.2802 -0.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 -1.5207 -0.0594 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0799 -1.2558 0.3357 P 0 0 0 0 0 5 0 0 0 0 0 0 2.3597 0.2372 0.2366 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3151 -1.7391 1.9561 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1713 -2.0987 -0.6223 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8611 -1.1387 -1.8269 P 0 0 0 0 0 5 0 0 0 0 0 0 3.9686 -2.0329 -3.0657 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8863 0.1585 -2.2535 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4397 -0.6775 -1.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4671 0.2406 -0.4041 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8799 0.6598 -0.0745 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5834 -0.4550 0.2938 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8497 -0.3881 -0.2785 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4129 -1.6991 -0.2545 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7771 -2.8451 -0.5037 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6441 -3.8704 -0.3809 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8611 -3.3764 -0.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0863 -3.9678 0.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2155 -5.3852 0.1106 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1114 -3.1654 0.5138 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9399 -1.8236 0.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7484 -1.2465 0.3462 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6840 -2.0015 0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5021 0.1051 -1.6711 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6080 0.5720 -2.3509 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5556 1.2545 -1.2895 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3235 2.3322 -0.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0163 3.7522 -1.6810 P 0 0 0 0 0 5 0 0 0 0 0 0 9.2832 4.2869 -2.3123 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5051 4.9355 -0.5565 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7827 3.6018 -2.8083 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7169 -2.3888 -0.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4477 -2.2708 -1.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1183 -2.0486 -2.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4537 0.0247 -1.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0381 0.8691 -2.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9706 -0.4542 0.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6304 -1.4842 0.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4591 -0.1184 1.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3393 -1.5661 1.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6179 0.1108 3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9132 1.5286 4.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1817 0.0200 3.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5185 -0.0079 2.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1427 2.7188 2.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6110 3.4861 3.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9649 3.6329 1.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6116 2.1007 3.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5188 3.6003 2.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6957 1.6660 0.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8574 1.4984 -1.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8126 -0.4184 -1.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6697 -2.0034 0.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9916 -0.7261 1.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0290 -2.0007 -0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5080 -1.7820 -2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7088 -1.8025 -1.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4959 -0.3645 -2.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3031 0.2789 -1.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0563 0.3271 0.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4530 -1.5884 2.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1654 1.0016 -1.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0305 -0.2914 0.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8196 1.0798 -0.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8420 1.3855 0.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4857 0.3860 0.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7414 -2.9863 -0.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6761 -5.9541 0.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8471 -5.8995 -0.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7972 -1.2267 0.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9173 -0.6264 -2.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3245 0.6829 -3.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8747 1.4987 -2.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7372 5.8396 -0.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0573 2.9903 -3.5360 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 4 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 21 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 2 0 42 43 1 0 42 44 1 0 44 45 2 0 45 46 1 0 46 47 2 0 37 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 50 35 1 0 47 38 1 0 47 41 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 1 3 60 1 0 4 61 1 6 5 62 1 0 5 63 1 0 5 64 1 0 9 65 1 0 9 66 1 0 10 67 1 0 10 68 1 0 11 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 15 73 1 0 16 74 1 0 19 75 1 6 20 76 1 0 22 77 1 0 22 78 1 0 22 79 1 0 23 80 1 0 23 81 1 0 23 82 1 0 24 83 1 0 24 84 1 0 28 85 1 0 32 86 1 0 34 87 1 0 34 88 1 0 35 89 1 1 37 90 1 1 39 91 1 0 43 92 1 0 43 93 1 0 45 94 1 0 48 95 1 6 49 96 1 0 50 97 1 6 54 98 1 0 55 99 1 0 M END