HMDB0254564 RDKit 3D Methyl 2-amino-3-(4-chlorophenyl)propanoate 26 26 0 0 0 0 0 0 0 0999 V2000 3.2429 -1.8996 0.9916 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8211 -0.7665 0.2712 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5968 -0.1578 0.4309 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -0.6391 1.2691 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1722 1.0353 -0.3384 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 1.3777 -1.2292 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0057 0.7831 -1.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2183 0.3513 -0.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4198 -1.0046 -0.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5612 -1.4931 0.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5159 -0.6424 0.7383 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9226 -1.2834 1.5266 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.3314 0.7241 0.5759 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1972 1.1892 -0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9024 -1.8775 2.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0011 -2.8477 0.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3635 -1.8324 1.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0722 1.8681 0.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2118 0.8711 -2.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2092 1.1527 -0.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2225 1.6975 -1.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2911 0.0118 -1.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7269 -1.7632 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7032 -2.5616 0.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0888 1.3990 0.9533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0713 2.2564 -0.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 5 7 1 0 7 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 1 15 1 0 1 16 1 0 1 17 1 0 5 18 1 0 6 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 9 23 1 0 10 24 1 0 13 25 1 0 14 26 1 0 M END