HMDB0013678 RDKit 3D 4-Hydroxyhippuric acid 23 23 0 0 0 0 0 0 0 0999 V2000 2.7562 -0.8846 1.3708 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4916 -0.2641 0.5565 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8444 -0.5858 0.5914 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0020 0.7521 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5479 0.8725 -0.2067 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 -0.2717 -0.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2744 -1.3557 -0.7487 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6831 -0.1957 -0.2335 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 -1.3897 -0.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7588 -1.3649 -0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4507 -0.1981 0.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8300 -0.2271 0.2390 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7300 0.9719 0.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3506 0.9865 0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4085 -0.5458 -0.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4535 1.7445 -0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 0.3594 -1.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1327 1.7866 0.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8785 -2.3317 -0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3302 -2.2999 -0.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3388 0.6247 0.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2826 1.8924 0.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8393 1.9242 0.0967 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 11 13 1 0 13 14 2 0 14 8 1 0 3 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 9 19 1 0 10 20 1 0 12 21 1 0 13 22 1 0 14 23 1 0 M END