HMDB0029001 RDKit 3D Phenylalanylmethionine 40 40 0 0 0 0 0 0 0 0999 V2000 5.8682 0.3422 -0.5516 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6846 -1.1329 0.5339 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2982 -0.8891 1.5893 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9184 -1.0157 1.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4443 -0.2618 -0.0632 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9623 -0.4898 -0.1677 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0676 0.5681 -0.3328 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4571 1.7574 -0.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3929 0.3269 -0.4341 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6824 -1.0873 -0.3255 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0695 1.1505 0.6412 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5399 0.9649 0.6087 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2981 1.8109 -0.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6480 1.6509 -0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2484 0.6558 0.5217 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4799 -0.1885 1.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1150 -0.0274 1.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8637 -0.9156 -1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1863 -0.6849 -2.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9230 -1.7533 -1.5102 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0601 1.0615 -0.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9903 0.0557 -1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8317 0.8198 -0.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3960 -1.6246 2.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4377 0.1211 2.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6327 -2.1217 0.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2581 -0.7431 2.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6702 0.7808 -0.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6299 -1.4667 -0.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7292 0.6534 -1.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7074 -1.2751 -0.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2843 -1.4472 0.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7102 0.8891 1.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8293 2.2102 0.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8307 2.6078 -0.7795 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2578 2.2977 -0.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3171 0.5236 0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9272 -0.9824 1.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4736 -0.6762 1.9678 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9605 -2.4651 -2.1993 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 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 5 18 1 0 18 19 2 0 18 20 1 0 17 12 1 0 1 21 1 0 1 22 1 0 1 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 1 6 29 1 0 9 30 1 6 10 31 1 0 10 32 1 0 11 33 1 0 11 34 1 0 13 35 1 0 14 36 1 0 15 37 1 0 16 38 1 0 17 39 1 0 20 40 1 0 M END