HMDB0241694 RDKit 3D 5-Hydroxyoctanoylcarnitine 50 49 0 0 0 0 0 0 0 0999 V2000 5.9623 1.4471 0.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6252 0.1714 -0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0104 -1.0980 0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6539 -1.4522 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3090 -2.6949 0.4926 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6104 -0.4443 0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -0.9164 -0.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2728 0.1734 0.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1252 -0.1396 -0.3623 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3468 -1.2179 -0.9706 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1785 0.7078 -0.1355 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5282 0.4510 -0.5515 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0353 1.5530 -1.4295 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2542 1.7531 -2.6566 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6068 2.6510 -3.4469 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1574 0.9754 -2.9395 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.4033 0.2510 0.6598 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7704 -0.0358 0.4269 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.6408 1.0866 0.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0120 -0.9797 -0.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2344 -0.7635 1.6421 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5372 2.0283 -0.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2751 1.3573 1.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7528 2.1877 0.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6931 0.1828 0.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7581 0.1822 -1.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0689 -1.1764 1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7105 -1.9380 0.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7647 -1.6076 -1.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6377 -3.1643 -0.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8382 0.4661 -0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5146 -0.2439 1.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9656 -1.8912 0.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3526 -0.9204 -1.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6353 1.1298 -0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2771 0.2809 1.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5036 -0.5051 -1.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8859 2.5030 -0.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1155 1.5175 -1.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3355 1.1892 1.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9775 -0.5385 1.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2305 1.0111 -0.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1800 2.0763 0.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4460 1.0370 1.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8547 -1.6874 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3788 -0.4775 -1.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1498 -1.6399 -0.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1815 -1.2681 1.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4397 -0.0567 2.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4823 -1.5126 1.9040 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 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 12 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 18 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 7 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 12 37 1 0 13 38 1 0 13 39 1 0 17 40 1 0 17 41 1 0 19 42 1 0 19 43 1 0 19 44 1 0 20 45 1 0 20 46 1 0 20 47 1 0 21 48 1 0 21 49 1 0 21 50 1 0 M CHG 2 16 -1 18 1 M END