HMDB0246331 RDKit 3D 4-Acetylaminohippuric acid 29 29 0 0 0 0 0 0 0 0999 V2000 -5.9283 0.4002 -0.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5879 0.0275 0.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5473 -0.6159 1.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4357 0.3963 -0.2648 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0919 0.1417 0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7002 -0.5501 1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3531 -0.7870 1.4605 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6451 -0.3149 0.6138 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 -0.5823 0.9549 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3215 -1.2201 1.9863 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0677 -0.1200 0.1169 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4778 -0.3769 0.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3390 0.2192 -0.6075 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8228 0.8338 -1.5847 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7139 0.1025 -0.5141 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2561 0.3793 -0.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0740 0.6025 -0.7718 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8877 0.4329 -1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7116 -0.3366 0.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2641 1.3870 0.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6219 0.9530 -1.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4154 -0.9481 1.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -1.3327 2.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8786 0.4129 -0.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6673 0.1032 1.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6506 -1.4808 0.4815 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2194 0.3402 0.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9723 0.7725 -1.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3872 1.1606 -1.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 8 16 1 0 16 17 2 0 17 5 1 0 1 18 1 0 1 19 1 0 1 20 1 0 4 21 1 0 6 22 1 0 7 23 1 0 11 24 1 0 12 25 1 0 12 26 1 0 15 27 1 0 16 28 1 0 17 29 1 0 M END