HMDB0000714 RDKit 3D Hippuric acid 22 22 0 0 0 0 0 0 0 0999 V2000 2.7052 0.6873 -1.8987 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3684 0.3479 -0.8862 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7287 0.6257 -0.9146 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8186 -0.3056 0.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3998 -0.5476 0.2218 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4280 0.4450 0.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 1.6439 -0.0082 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 0.1450 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9389 1.1659 -0.1489 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2776 0.9459 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7617 -0.3337 -0.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8919 -1.3732 0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5230 -1.1236 0.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2322 0.9808 -0.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3389 -1.2452 0.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0095 0.3795 1.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0836 -1.5392 0.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5621 2.1752 -0.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9837 1.7690 -0.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8315 -0.4795 -0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2685 -2.3927 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8721 -1.9709 0.1942 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 1 0 6 7 2 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 3 14 1 0 4 15 1 0 4 16 1 0 5 17 1 0 9 18 1 0 10 19 1 0 11 20 1 0 12 21 1 0 13 22 1 0 M END