HMDB0241048 RDKit 3D 6-Methyloctanoylcarnitine 52 51 0 0 0 0 0 0 0 0999 V2000 6.1366 1.2109 0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7560 0.2492 1.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1562 -1.0382 0.7304 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0828 -1.8221 -0.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7392 -0.9955 0.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4233 -0.1112 -0.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9666 -0.1536 -1.2677 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0372 0.2757 -0.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3811 0.2383 -0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6907 -0.1240 -1.7446 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3859 0.6018 0.2782 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7625 0.5792 -0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3250 1.9883 -0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5891 2.8740 -1.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4650 3.3009 -0.6727 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1811 3.1854 -2.2129 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.5486 -0.3513 0.7624 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9357 -0.4882 0.4830 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.8010 0.5047 1.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2185 -0.6363 -0.9343 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3381 -1.7838 1.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 1.5136 0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5635 2.1408 0.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0509 0.8123 -0.9224 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0279 0.7454 1.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6532 0.0693 1.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1344 -1.6875 1.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5959 -2.7943 -0.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2889 -1.3077 -1.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9896 -2.0479 0.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1464 -0.6269 1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4166 -2.0500 0.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0115 -0.4206 -1.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7057 0.9492 -0.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7909 0.4310 -2.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7729 -1.2225 -1.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.2765 0.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2101 -0.4261 0.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8030 0.2310 -1.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2263 2.3552 0.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3924 2.0513 -0.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0781 -1.3791 0.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4563 -0.0127 1.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4407 1.0240 0.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5331 0.0037 1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2689 1.2259 1.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4052 -1.1826 -1.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5260 0.3020 -1.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1353 -1.2921 -1.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4823 -2.4884 1.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6040 -1.5342 2.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2082 -2.1630 0.5144 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 3 5 1 0 5 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 4 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 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