HMDB0243594 RDKit 3D (2S)-2-[(3-Nitrobenzoyl)amino]propanoic acid 27 27 0 0 0 0 0 0 0 0999 V2000 -3.3738 1.2149 -0.6425 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7270 0.0282 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3862 -0.0868 -0.4917 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2988 0.1173 0.3928 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5054 0.3924 1.6168 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0858 0.0222 -0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3881 -0.2718 -1.3655 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6997 -0.3544 -1.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7165 -0.1448 -0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4621 0.1517 0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5220 0.3631 1.3932 N 0 0 0 0 0 4 0 0 0 0 0 0 4.2925 0.6292 2.5783 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8103 0.2657 0.9368 O 0 0 0 0 0 1 0 0 0 0 0 0 2.1306 0.2294 0.8446 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4942 -1.2099 -0.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0443 -2.2532 -0.6601 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8001 -1.2401 0.3516 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8107 1.5298 -1.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3846 0.9290 -0.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4341 2.0954 0.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 0.2747 1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2797 -0.3092 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6319 -0.4436 -2.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9304 -0.5870 -2.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7569 -0.2079 -1.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 0.4583 1.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0620 -1.5926 1.2593 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 2 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 10 14 2 0 2 15 1 0 15 16 2 0 15 17 1 0 14 6 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 3 22 1 0 7 23 1 0 8 24 1 0 9 25 1 0 14 26 1 0 17 27 1 0 M CHG 2 11 1 13 -1 M END