HMDB0241050 RDKit 3D 4-Methyloctanoylcarnitine 52 51 0 0 0 0 0 0 0 0999 V2000 5.6148 2.1319 1.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8573 0.6654 1.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6274 -0.1783 1.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 0.0707 -0.2946 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7451 -0.8390 -0.3952 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1761 -2.2618 -0.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0953 -0.5116 -1.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8598 -1.2596 -2.0378 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2595 -1.1125 -1.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0393 -1.3918 0.1296 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -0.6916 -1.4302 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5947 -0.5550 -0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7516 -1.4052 -0.9078 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4452 -2.8526 -1.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3011 -3.2538 -0.7275 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4771 -3.7015 -1.3952 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.9103 0.8936 -0.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9182 1.2507 0.6364 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.2177 1.5158 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1109 0.3763 1.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5114 2.5652 1.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4594 2.6133 2.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7884 2.4539 0.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5344 2.6271 0.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2303 0.4184 2.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6642 0.3507 0.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8780 0.0364 1.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9206 -1.2289 1.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6187 -0.1652 -1.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5563 1.1057 -0.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0541 -0.5342 0.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7614 -2.6634 0.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7428 -2.8979 -1.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2700 -2.4158 -0.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8457 -0.7714 -2.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9443 0.5819 -1.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4892 -0.8146 -3.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0544 -2.3250 -2.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1871 -0.9240 0.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6951 -1.2106 -0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9577 -1.1014 -1.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1674 1.3921 -1.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9416 1.3872 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1607 1.8701 -0.9973 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6662 2.3712 0.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9433 0.7015 0.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2956 1.0274 2.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0711 -0.1962 1.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2493 -0.2376 2.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6739 3.3080 0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4696 2.5251 1.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2443 2.7625 2.0263 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 5 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 4 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 12 39 1 0 13 40 1 0 13 41 1 0 17 42 1 0 17 43 1 0 19 44 1 0 19 45 1 0 19 46 1 0 20 47 1 0 20 48 1 0 20 49 1 0 21 50 1 0 21 51 1 0 21 52 1 0 M CHG 2 16 -1 18 1 M END