HMDB0000791 RDKit 3D Octanoylcarnitine 50 49 0 0 0 0 0 0 0 0999 V2000 5.8644 -1.5289 -0.5235 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7696 -0.2004 0.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6763 0.6000 -0.5174 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4257 -0.2312 -0.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2568 0.4288 -1.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0062 1.7693 -0.4675 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6989 1.6479 0.9869 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 0.8574 1.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2171 0.4174 2.3252 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3734 0.6070 0.1488 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5989 -0.2055 0.4485 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4008 -1.4287 -0.3763 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3355 -2.5289 -0.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1830 -2.6892 0.5815 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2689 -3.4909 -1.3307 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6576 0.7491 0.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0356 0.4564 0.1801 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.5461 -0.2779 -0.9516 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7840 1.7701 0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4357 -0.0292 1.4638 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9240 -1.8430 -0.4585 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1739 -2.2713 -0.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5912 -1.3702 -1.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6963 0.3821 0.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4620 -0.3955 1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5155 1.5531 0.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9318 0.7324 -1.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2562 -0.4307 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6558 -1.1990 -0.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3623 -0.2177 -1.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4865 0.6215 -2.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1612 2.2295 -1.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8726 2.4607 -0.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 1.1722 1.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5672 2.6770 1.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5363 -0.4250 1.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1395 -1.1587 -1.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 -1.8599 -0.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3350 -4.4647 -1.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4908 1.7070 0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4551 1.1183 -1.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0621 -1.2113 -0.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7202 -0.4429 -1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3070 0.3052 -1.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5299 2.3866 0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5709 2.2429 -0.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8435 1.4552 0.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9167 0.7419 2.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1290 -0.8939 1.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4938 -0.2944 2.0158 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 2 0 13 15 1 0 11 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 7 34 1 0 7 35 1 0 11 36 1 1 12 37 1 0 12 38 1 0 15 39 1 0 16 40 1 0 16 41 1 0 18 42 1 0 18 43 1 0 18 44 1 0 19 45 1 0 19 46 1 0 19 47 1 0 20 48 1 0 20 49 1 0 20 50 1 0 M CHG 1 17 1 M END