HMDB0304384 RDKit 3D indole-3-acetyl-methionine 38 39 0 0 0 0 0 0 0 0999 V2000 4.7781 -0.2267 2.2995 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1183 -0.3296 0.5436 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1651 -1.5792 -0.3065 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6986 -1.2447 -0.3999 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5955 0.1004 -1.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1967 0.4684 -1.2732 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4332 1.1518 -0.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 1.4986 0.7700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9948 1.4811 -0.5418 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9274 0.4983 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6707 -0.8292 0.3696 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7965 -1.3971 0.8530 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7709 -0.4705 0.8718 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0971 -0.5759 1.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9148 0.5306 1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4100 1.7320 0.7233 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0902 1.7883 0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2346 0.6929 0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1275 -0.1155 -2.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5357 0.8291 -3.2051 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1753 -1.3985 -3.0202 O 0 0 0 0 0 1 0 0 0 0 0 0 3.9991 -0.9704 2.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6645 -0.4874 2.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4263 0.7915 2.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6496 -1.7658 -1.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2850 -2.5806 0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1960 -2.0523 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3179 -1.1166 0.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1780 0.7874 -0.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7097 0.1882 -2.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2336 1.6791 -1.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2173 2.4578 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7486 -1.3576 0.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9134 -2.3952 1.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4889 -1.5376 1.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9515 0.4342 1.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0645 2.5958 0.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6843 2.7250 -0.0485 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 10 11 2 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 5 19 1 0 19 20 2 0 19 21 1 0 18 10 1 0 18 13 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 6 30 1 0 9 31 1 0 9 32 1 0 11 33 1 0 12 34 1 0 14 35 1 0 15 36 1 0 16 37 1 0 17 38 1 0 M CHG 1 21 -1 M END