HMDB0013225 RDKit 3D Capryloylcholine 44 43 0 0 0 0 0 0 0 0999 V2000 7.5788 -0.1568 0.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1059 -0.2127 0.7219 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3526 -0.7690 -0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8913 -0.9307 -0.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0985 0.3097 -0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6484 -0.1042 0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7411 1.0690 0.3517 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6570 0.5822 0.4782 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1916 0.5556 1.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3820 0.1554 -0.6119 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7056 -0.3074 -0.4664 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6657 0.7336 0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0027 0.1701 0.1653 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.6313 -0.1523 -1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8170 1.1886 0.8131 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9568 -0.9716 1.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8335 -1.0904 -0.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7815 0.6773 -0.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2587 -0.1642 1.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8155 0.8247 0.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1034 -0.8684 1.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5816 -0.0864 -1.3086 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8357 -1.7341 -0.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4853 -1.3599 -1.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6876 -1.7190 0.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3877 0.8648 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1661 1.0285 -0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5197 -0.8337 0.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3265 -0.6496 -0.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0451 1.5625 1.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8448 1.7629 -0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0079 -0.6849 -1.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7642 -1.1506 0.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3802 1.1349 1.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7448 1.6150 -0.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4325 0.5841 -1.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9019 -0.1721 -1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0913 -1.1706 -0.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8620 0.9171 0.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5485 1.2195 1.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6124 2.1939 0.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9157 -1.1520 1.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1379 -0.8465 1.8132 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6804 -1.8625 0.4656 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 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 13 16 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 11 32 1 0 11 33 1 0 12 34 1 0 12 35 1 0 14 36 1 0 14 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 15 41 1 0 16 42 1 0 16 43 1 0 16 44 1 0 M CHG 1 13 1 M END