HMDB0034911 RDKit 3D (S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid 26 26 0 0 0 0 0 0 0 0999 V2000 -1.4070 -1.3215 3.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9952 -0.6844 2.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4816 0.1268 1.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5548 -0.6637 0.4952 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8992 -0.2119 0.3993 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1735 0.9115 0.8848 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9711 -1.0020 -0.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2254 -0.2538 -0.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2856 0.8821 0.3726 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4345 -0.7371 -0.6918 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5627 0.3594 0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1160 1.6227 -0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1224 1.8474 -0.9397 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6160 0.8435 -1.7331 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0616 -0.4131 -1.5747 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0478 -0.6519 -0.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0734 1.0923 1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2808 -1.5914 0.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6539 -1.1369 -1.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0569 -2.0240 0.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6941 -0.3520 -1.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7347 2.4119 0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5341 2.8361 -1.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4062 0.9874 -2.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4324 -1.2306 -2.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6387 -1.6467 -0.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 3 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 11 1 0 3 17 1 0 4 18 1 0 7 19 1 0 7 20 1 0 10 21 1 0 12 22 1 0 13 23 1 0 14 24 1 0 15 25 1 0 16 26 1 0 M END