HMDB0029156 RDKit 3D Glutamylphenylalanine 39 39 0 0 0 0 0 0 0 0999 V2000 2.7176 -2.0011 0.2692 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7774 -0.5623 0.2530 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4401 -0.1131 -1.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8413 -0.6710 -1.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6606 -0.2030 0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6460 -0.7667 1.1758 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5034 0.9175 -0.0832 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4217 0.0388 0.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 1.2952 0.3873 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2652 -0.7684 0.3947 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 -0.1053 0.4909 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8607 -0.4033 -0.7296 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1733 0.2517 -0.6466 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3176 -0.3810 -0.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5205 0.2640 -0.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6217 1.5647 -0.5137 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5132 2.2462 -1.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3162 1.5730 -1.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6994 -0.5204 1.7483 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1241 -1.3735 2.5024 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9179 -0.0044 2.1278 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0695 -2.3456 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6561 -2.4480 0.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3948 -0.1934 1.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8279 -0.4392 -1.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4433 1.0012 -1.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2876 -0.2583 -2.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 -1.7661 -1.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0404 1.8138 0.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -1.8027 0.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 0.9936 0.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9981 -1.5114 -0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3012 -0.1154 -1.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2098 -1.4113 0.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3852 -0.2310 0.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5503 2.1240 -0.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5934 3.2656 -1.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4355 2.0613 -1.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0236 0.9851 2.2649 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 1 0 5 6 2 0 5 7 1 0 2 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 11 19 1 0 19 20 2 0 19 21 1 0 18 13 1 0 1 22 1 0 1 23 1 0 2 24 1 1 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 7 29 1 0 10 30 1 0 11 31 1 1 12 32 1 0 12 33 1 0 14 34 1 0 15 35 1 0 16 36 1 0 17 37 1 0 18 38 1 0 21 39 1 0 M END