HMDB0094717 RDKit 3D hydroxyvalerylglycine 25 24 0 0 0 0 0 0 0 0999 V2000 2.6021 1.5434 -0.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5797 0.7481 -0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8514 1.3021 -0.5269 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3744 -0.7099 -0.7003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9718 -0.9826 -0.6906 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1465 -0.6752 0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5089 0.0003 1.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2712 -1.0370 0.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1813 0.1781 0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6068 -0.3603 -0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5979 0.7877 -0.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8915 0.2979 -0.2516 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2220 1.5685 0.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -1.0760 -1.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8431 -1.2966 0.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6232 -0.5086 2.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5848 -1.6529 0.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4545 -1.5629 -0.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1032 0.7513 1.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 0.8725 -0.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8737 -1.0205 0.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6476 -0.9579 -1.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 1.2786 0.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2943 1.4782 -0.8932 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5110 1.0340 -0.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 3 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 3 13 1 0 4 14 1 0 4 15 1 0 7 16 1 0 8 17 1 0 8 18 1 0 9 19 1 0 9 20 1 0 10 21 1 0 10 22 1 0 11 23 1 0 11 24 1 0 12 25 1 0 M END