HMDB0246301 RDKit 3D 4-(Butylamino)benzoic acid 29 29 0 0 0 0 0 0 0 0999 V2000 -3.6188 -0.3325 -1.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5190 0.8293 -0.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9851 0.4153 1.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6036 -0.1866 1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6373 0.7239 0.4489 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6995 0.3014 0.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6288 1.1654 -0.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9455 0.7748 -0.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3543 -0.4994 0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7339 -0.9193 -0.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0797 -2.0701 0.2165 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6976 -0.0725 -0.6595 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4207 -1.3676 0.5455 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1088 -0.9566 0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6019 -0.3027 -1.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8160 -0.3026 -1.9711 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6115 -1.2601 -0.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9304 1.6484 -0.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5338 1.2473 -0.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6603 -0.3692 1.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9905 1.2945 1.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2880 -0.3897 2.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6188 -1.1587 0.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9019 1.6811 0.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3786 2.1715 -0.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7012 1.4442 -0.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4026 0.5281 -1.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7562 -2.3577 0.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4091 -1.6798 1.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 9 13 1 0 13 14 2 0 14 6 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 7 25 1 0 8 26 1 0 12 27 1 0 13 28 1 0 14 29 1 0 M END