HMDB0013228 RDKit 3D Decanoylcholine 50 49 0 0 0 0 0 0 0 0999 V2000 6.0004 1.5888 -0.6481 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3824 0.1310 -0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6534 -0.6844 -1.5888 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1672 -0.5974 -1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6830 -1.1007 -0.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1749 -0.9818 -0.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7413 -1.4899 1.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2528 -1.4327 1.5223 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2909 -0.0446 1.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7497 -0.0492 1.6421 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3452 -1.1018 1.8662 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5776 1.0499 1.6238 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9242 1.0367 1.8258 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8031 0.2582 0.9321 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7711 0.6239 -0.4494 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.0355 0.2872 -1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7488 -0.0972 -1.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5522 2.0284 -0.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8313 2.2386 -0.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8526 1.9087 -1.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1187 1.8485 -0.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1479 -0.2165 0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4770 0.0195 -0.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9200 -0.2506 -2.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0026 -1.7201 -1.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6926 -1.2187 -2.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7888 0.4318 -1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 -0.4694 0.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9419 -2.1772 0.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6789 -1.5800 -0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9299 0.0987 -0.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1267 -2.5101 1.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2006 -0.8248 2.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2382 -2.1240 0.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0388 -1.8284 2.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1663 0.5619 2.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0183 0.3662 0.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2901 2.1070 1.8078 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0980 0.7235 2.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7070 -0.8381 1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8657 0.4487 1.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1350 0.8146 -2.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8701 0.5624 -0.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0736 -0.8050 -1.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0415 -0.0670 -2.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8170 0.5161 -1.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6118 -1.1232 -0.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8912 2.2256 -1.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1572 2.6910 -0.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4697 2.3049 -0.6890 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 1 0 8 9 1 0 9 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 15 17 1 0 15 18 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 3 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 5 28 1 0 5 29 1 0 6 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 9 36 1 0 9 37 1 0 13 38 1 0 13 39 1 0 14 40 1 0 14 41 1 0 16 42 1 0 16 43 1 0 16 44 1 0 17 45 1 0 17 46 1 0 17 47 1 0 18 48 1 0 18 49 1 0 18 50 1 0 M CHG 1 15 1 M END