HMDB0240592 RDKit 3D Palmitoylcholine 68 67 0 0 0 0 0 0 0 0999 V2000 9.1345 1.9096 0.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5522 0.4788 0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8497 -0.4083 -0.5562 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3988 -0.6386 -0.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5186 0.5538 -0.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0588 0.0934 -0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8524 -0.5975 1.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -1.0325 1.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4253 0.1032 1.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0076 -0.3839 1.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6819 -1.3358 0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7475 -1.8471 0.1107 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7447 -0.7196 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6278 0.0547 -1.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6481 1.1588 -1.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0491 0.6804 -1.2485 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4012 -0.5204 -1.2711 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0761 1.6145 -1.1872 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4461 1.3168 -1.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7909 0.5178 0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2026 0.1935 0.1407 N 0 0 0 0 0 4 0 0 0 0 0 0 -8.4236 -0.4680 1.4237 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9889 1.3956 0.1445 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6047 -0.7250 -0.8878 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0711 2.5475 0.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5544 2.1892 -0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5759 2.1847 1.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6631 0.4124 0.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4444 0.0533 1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3422 -1.4368 -0.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0991 -0.0493 -1.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0843 -1.4300 -1.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2898 -1.0473 0.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7001 1.1422 0.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6141 1.1484 -1.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7905 -0.5824 -1.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3961 1.0103 -0.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4317 -1.5379 1.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0300 0.0974 1.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2853 -1.6178 2.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2347 -1.7024 0.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4689 0.5913 -0.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6478 0.9115 1.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3411 0.5174 1.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8794 -0.8309 2.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3568 -2.2313 0.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8635 -0.8841 -0.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8874 -2.3018 1.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8964 -2.5941 -0.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5769 -0.0318 0.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7373 -1.1673 0.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5941 0.4545 -1.3898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 -0.6425 -2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5466 1.8205 -0.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4954 1.8534 -2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7755 0.7326 -2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9840 2.2881 -1.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5612 1.1349 0.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2427 -0.4356 0.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9719 -1.4925 1.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4976 -0.5436 1.6776 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8447 0.0737 2.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3967 2.3181 0.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4663 1.5367 -0.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8325 1.3393 0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7811 -1.4139 -1.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4685 -1.3178 -0.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9412 -0.1546 -1.7875 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 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 21 24 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 6 37 1 0 7 38 1 0 7 39 1 0 8 40 1 0 8 41 1 0 9 42 1 0 9 43 1 0 10 44 1 0 10 45 1 0 11 46 1 0 11 47 1 0 12 48 1 0 12 49 1 0 13 50 1 0 13 51 1 0 14 52 1 0 14 53 1 0 15 54 1 0 15 55 1 0 19 56 1 0 19 57 1 0 20 58 1 0 20 59 1 0 22 60 1 0 22 61 1 0 22 62 1 0 23 63 1 0 23 64 1 0 23 65 1 0 24 66 1 0 24 67 1 0 24 68 1 0 M CHG 1 21 1 M END