HMDB0060758 RDKit 3D 4-Anilino-4-oxobutanoic acid 25 25 0 0 0 0 0 0 0 0999 V2000 2.1445 0.5063 -1.4191 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1099 0.3419 -0.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1754 1.2219 -0.6523 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1306 -0.7798 0.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 -1.6577 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6558 -0.9244 0.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4824 -0.3177 1.7063 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2432 -0.8577 -0.3995 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 -0.1962 -0.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5347 1.1782 -0.1551 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7252 1.8673 -0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9327 1.2008 -0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8961 -0.1728 -0.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7018 -0.8519 -0.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5224 1.5559 0.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3178 -0.4208 1.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9993 -1.4345 0.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9178 -2.1163 -0.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0448 -2.4626 0.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8007 0.6087 1.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 1.6972 -0.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7416 2.9381 0.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8711 1.7329 0.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8419 -0.7193 -0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6562 -1.9377 -0.3803 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 1 0 6 8 2 3 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 9 1 0 3 15 1 0 4 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 7 20 1 0 10 21 1 0 11 22 1 0 12 23 1 0 13 24 1 0 14 25 1 0 M END