HMDB0013245 RDKit 3D m-Methylhippuric acid 25 25 0 0 0 0 0 0 0 0999 V2000 -4.2048 0.5270 0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9464 0.1602 0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9735 -0.2991 -1.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8213 -0.6397 -1.9341 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5825 -0.5173 -1.2862 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5241 -0.0634 0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7279 0.0810 0.7102 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6901 0.4162 1.9470 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9768 -0.1306 0.0950 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2135 0.0321 0.8676 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -0.2487 -0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1798 -0.5704 -1.2377 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6740 -0.1846 0.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7223 0.2715 0.6541 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8722 1.1486 0.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7781 -0.3676 1.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9142 1.1523 1.6352 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9398 -0.3874 -1.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8197 -1.0020 -2.9533 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3259 -0.7776 -1.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0337 -0.3983 -0.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2109 -0.6403 1.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2686 1.0630 1.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1064 0.7418 0.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6753 0.6333 1.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 6 14 2 0 14 2 1 0 1 15 1 0 1 16 1 0 1 17 1 0 3 18 1 0 4 19 1 0 5 20 1 0 9 21 1 0 10 22 1 0 10 23 1 0 13 24 1 0 14 25 1 0 M END