HMDB0094710 RDKit 3D 3-[3-(Sulfooxy)phenyl]propanoic acid 26 26 0 0 0 0 0 0 0 0999 V2000 4.0711 -0.1028 -1.8721 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0675 0.1273 -0.6255 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2388 0.5082 0.0361 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8129 -0.0041 0.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 -0.4222 -0.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4123 -0.5741 -0.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0648 -1.7900 0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1367 -1.9588 1.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9887 -0.8687 1.2632 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6423 0.3519 0.7206 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5222 1.3983 0.8606 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7504 1.7550 -0.2561 S 0 0 0 0 0 6 0 0 0 0 0 0 -4.8799 2.4532 0.4311 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2026 2.6275 -1.3597 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3170 0.2913 -0.8679 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4297 0.5120 0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4149 1.4783 0.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5291 0.9403 0.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9697 -0.8292 0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6451 0.2593 -1.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9963 -1.4204 -1.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7588 -2.6042 0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3922 -2.9345 1.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9315 -0.9646 1.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3173 0.2994 -0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1619 1.4716 -0.3749 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 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 2 0 12 15 1 0 10 16 2 0 16 6 1 0 3 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 7 22 1 0 8 23 1 0 9 24 1 0 15 25 1 0 16 26 1 0 M END