HMDB0013162 RDKit 3D 2-Hexenoylcholine 36 35 0 0 0 0 0 0 0 0999 V2000 5.3062 0.3663 -0.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2027 -0.6832 0.2446 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3390 -0.3055 1.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9231 -0.0547 1.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3512 -0.1553 -0.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9399 0.1130 -0.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4607 -0.0023 -1.4824 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0595 0.4954 0.6606 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2948 0.7608 0.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0788 -0.4177 -0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4719 -0.0697 -0.1879 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.6757 0.6444 -1.4295 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9728 0.6991 0.9331 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3058 -1.2789 -0.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3256 0.8439 -0.7765 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6047 1.1936 -0.6071 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1241 -0.0935 -1.8011 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7704 -1.6008 -0.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2390 -0.9181 0.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8132 0.5816 1.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3736 -1.1051 2.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2094 0.2521 1.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9514 -0.4571 -0.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7106 0.9798 1.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5341 1.6300 -0.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7004 -0.7681 -1.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0249 -1.2730 0.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7989 1.2570 -1.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8734 -0.1235 -2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5379 1.3383 -1.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6020 0.3297 1.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6494 1.7536 0.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0798 0.6727 0.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2912 -0.9254 -0.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5090 -1.6836 0.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8823 -1.9957 -0.9528 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 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 11 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 5 23 1 0 9 24 1 0 9 25 1 0 10 26 1 0 10 27 1 0 12 28 1 0 12 29 1 0 12 30 1 0 13 31 1 0 13 32 1 0 13 33 1 0 14 34 1 0 14 35 1 0 14 36 1 0 M CHG 1 11 1 M END