HMDB0013292 RDKit 3D p-Methylhippuric acid 25 25 0 0 0 0 0 0 0 0999 V2000 4.5425 0.3269 0.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0780 0.0743 0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2371 0.8004 0.8473 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8737 0.5809 0.7698 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2976 -0.3330 -0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1350 -0.5529 -0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5633 -1.4130 -0.9626 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0821 0.1454 0.6404 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5045 -0.1016 0.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9592 0.1819 -0.8301 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1345 0.5728 -1.6836 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2756 0.0110 -1.1399 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1804 -1.0528 -0.8888 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5411 -0.8487 -0.8264 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0508 0.0409 -0.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9623 -0.3006 0.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6822 1.3774 0.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6329 1.5350 1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2126 1.1570 1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7709 0.8656 1.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7671 -1.1317 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0315 0.5734 1.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9920 0.6947 -1.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7317 -1.7690 -1.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1928 -1.4344 -1.4770 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 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 5 13 1 0 13 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 8 20 1 0 9 21 1 0 9 22 1 0 12 23 1 0 13 24 1 0 14 25 1 0 M END