HMDB0260141 RDKit 3D (2S)-2-Amino-3-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy-3-chlorophen... 45 46 0 0 0 0 0 0 0 0999 V2000 5.8339 -0.9740 -1.6340 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3184 -0.7447 -0.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3403 -1.4085 0.6496 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9808 -0.8441 0.4944 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5812 0.2226 1.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2936 0.7473 1.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4314 0.2012 0.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1561 0.6882 -0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9019 0.1765 0.7391 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6575 -0.7319 1.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3069 0.6761 0.5685 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2753 1.7003 -0.4420 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1485 -0.4992 0.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5674 -0.2102 -0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0475 0.1265 -1.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4091 0.3971 -1.4149 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2711 0.3283 -0.3415 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6385 0.5945 -0.4797 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7995 -0.0090 0.9096 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4345 -0.2777 1.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8587 -0.8654 -0.5678 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 -1.6287 -1.7635 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.1355 -1.4010 -0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4199 0.7101 0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8320 1.0939 1.1102 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0558 1.6226 -0.9678 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 -0.2352 -1.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5999 -1.2292 -2.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3309 -1.1852 -0.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7089 -1.2684 1.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3743 -2.4956 0.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2715 0.6404 1.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0373 1.5807 1.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5845 1.1339 1.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8856 2.5937 -0.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2205 1.8502 -0.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7362 -1.0186 -0.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0560 -1.2357 1.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4277 0.1979 -2.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7963 0.6609 -2.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2801 0.5509 0.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4913 -0.0579 1.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1169 -0.5385 2.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4854 -2.2374 -1.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9782 2.6023 -0.8027 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 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 7 21 1 0 21 22 1 0 21 23 2 0 2 24 1 0 24 25 2 0 24 26 1 0 23 4 1 0 20 14 1 0 1 27 1 0 1 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 5 32 1 0 6 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 13 38 1 0 15 39 1 0 16 40 1 0 18 41 1 0 19 42 1 0 20 43 1 0 23 44 1 0 26 45 1 0 M END