HMDB0000756 RDKit 3D Hexanoylcarnitine 44 43 0 0 0 0 0 0 0 0999 V2000 6.4587 -0.1717 -0.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9431 -0.2445 -0.7571 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4470 0.4693 0.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9370 0.4650 0.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3852 -0.9557 0.6353 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9135 -0.8404 0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3869 -1.0973 1.8674 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -0.4730 -0.1779 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3485 -0.3647 -0.1113 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8522 -1.2446 -1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4194 -2.6344 -1.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7898 -3.0930 -0.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7575 -3.5500 -2.0186 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9142 0.9941 -0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3331 1.1685 -0.1299 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.9157 1.5334 -1.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1170 0.1032 0.3702 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6452 2.3633 0.7005 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7843 -0.7047 0.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7486 0.8885 -0.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8825 -0.6679 -1.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6680 -1.3298 -0.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4878 0.1636 -1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8501 0.0550 1.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7454 1.5594 0.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5135 1.0087 -0.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6649 1.0589 1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8426 -1.5065 1.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6823 -1.4563 -0.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6347 -0.7809 0.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 -0.9197 -2.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9597 -1.2680 -1.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5613 -4.1328 -1.9983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4470 1.7565 0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6224 1.3654 -1.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4932 2.5086 -1.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7891 0.7767 -2.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9876 1.6724 -1.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7636 0.5158 1.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5963 -0.7298 0.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8978 -0.2581 -0.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3758 3.0211 0.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0518 2.0358 1.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7273 2.9405 0.9242 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 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 9 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 9 30 1 1 10 31 1 0 10 32 1 0 13 33 1 0 14 34 1 0 14 35 1 0 16 36 1 0 16 37 1 0 16 38 1 0 17 39 1 0 17 40 1 0 17 41 1 0 18 42 1 0 18 43 1 0 18 44 1 0 M CHG 1 15 1 M END