HMDB0059770 RDKit 3D Threo-3-Hydroxy-2-methylbutyric acid 21 20 0 0 0 0 0 0 0 0999 V2000 2.8319 -1.0849 0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5751 -0.7642 -0.4581 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9198 0.3688 -0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4626 1.0738 0.8448 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3932 0.7157 -0.6074 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9034 1.9947 0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -0.4105 -0.4622 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6317 -0.7681 0.9849 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8888 -1.5472 -1.0918 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2379 -0.2495 0.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7785 -1.9911 0.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5128 -1.2847 -0.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3002 0.9345 -1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2126 2.8081 -0.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8389 1.9723 1.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9029 2.2350 -0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3317 -0.1001 -0.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6601 0.1426 1.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6184 -1.2587 1.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 -1.4986 1.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 -1.2880 -1.8993 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 3 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 7 9 1 0 1 10 1 0 1 11 1 0 1 12 1 0 5 13 1 6 6 14 1 0 6 15 1 0 6 16 1 0 7 17 1 6 8 18 1 0 8 19 1 0 8 20 1 0 9 21 1 0 M END