HMDB0028994 RDKit 3D Phenylalanylglutamic acid 39 39 0 0 0 0 0 0 0 0999 V2000 -1.5821 -2.0275 -1.5783 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8158 -0.8196 -1.6002 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6741 0.4041 -1.8277 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7127 0.5841 -0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9630 0.0090 -0.9418 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9470 0.1698 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7179 0.9024 1.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4872 1.4787 1.3229 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4990 1.3151 0.3521 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0348 -0.7023 -0.3541 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2376 -1.5357 0.5606 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9379 0.3060 -0.1388 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6601 0.3587 1.0866 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1446 0.0915 0.9062 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4296 -1.2483 0.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8925 -1.4136 0.1888 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6725 -0.5008 0.5409 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4089 -2.5827 -0.3306 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5728 1.7106 1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9512 2.6537 1.1384 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1894 2.0026 2.9036 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0808 -2.2279 -2.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2556 -1.9759 -0.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0928 -0.8337 -2.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 0.3996 -2.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9914 1.2975 -1.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1792 -0.5816 -1.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9212 -0.2789 -0.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4851 1.0402 1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2913 2.0604 2.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 1.7934 0.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 1.0053 -0.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2426 -0.3945 1.7924 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5900 0.1273 1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6252 0.8697 0.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0662 -2.0804 0.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0096 -1.3453 -0.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3818 -2.8259 -0.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7927 2.7947 3.0369 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 2 0 2 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 13 19 1 0 19 20 2 0 19 21 1 0 9 4 1 0 1 22 1 0 1 23 1 0 2 24 1 6 3 25 1 0 3 26 1 0 5 27 1 0 6 28 1 0 7 29 1 0 8 30 1 0 9 31 1 0 12 32 1 0 13 33 1 1 14 34 1 0 14 35 1 0 15 36 1 0 15 37 1 0 18 38 1 0 21 39 1 0 M END