HMDB0258045 RDKit 3D (2S)-2-(Chloroamino)-3-(4-hydroxyphenyl)propanoic Acid 24 24 0 0 0 0 0 0 0 0999 V2000 -4.2139 0.3401 -0.3686 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3532 -0.2508 0.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7101 -0.7833 1.5257 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9615 -0.3611 -0.2344 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0039 0.1511 0.7982 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4224 0.1121 0.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1997 -1.0306 0.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5159 -1.0292 0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0961 0.0836 -0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4428 0.0618 -0.6157 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3663 1.2230 -0.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0365 1.2067 -0.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9291 0.2860 -1.5002 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4733 0.1511 -2.3852 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.9317 -1.7655 1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7312 -1.4653 -0.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1428 -0.5187 1.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2766 1.1629 1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.9020 1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1174 -1.9237 0.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9128 0.8529 -1.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8518 2.0977 -0.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4752 2.1229 -0.3331 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4217 1.1785 -1.5577 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 9 11 1 0 11 12 2 0 4 13 1 0 13 14 1 0 12 6 1 0 3 15 1 0 4 16 1 0 5 17 1 0 5 18 1 0 7 19 1 0 8 20 1 0 10 21 1 0 11 22 1 0 12 23 1 0 13 24 1 0 M END