HMDB0240844 RDKit 3D 9-Methylpentadecanoylcarnitine 73 72 0 0 0 0 0 0 0 0999 V2000 8.5232 1.4306 -1.9109 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2986 1.8194 -1.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3297 1.4089 0.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 -0.0629 0.5042 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3254 -0.8686 -0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9727 -0.4762 0.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9024 -1.3006 -0.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0172 -2.7739 0.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5206 -0.8275 0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 -0.9318 1.7965 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0937 -0.5798 2.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4873 0.7407 2.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0964 1.2776 0.9576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8874 0.3717 0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1355 0.2513 1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1642 -0.5993 0.4638 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0488 -1.8601 0.6051 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2281 -0.1577 -0.2563 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2293 -0.9358 -0.8711 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1058 -0.9802 -2.3579 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1695 0.3111 -3.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1645 0.6009 -3.7605 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1204 1.2439 -2.9421 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.5738 -0.8485 -0.2811 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2198 0.4053 -0.1822 N 0 0 0 0 0 4 0 0 0 0 0 0 -8.0633 0.3377 1.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1232 0.7413 -1.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3216 1.5130 0.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5495 1.9838 -2.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4573 1.6821 -1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5265 0.3518 -2.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1454 2.9289 -1.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4180 1.3325 -1.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2610 1.8647 0.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5019 1.8523 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4646 -0.2351 1.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3911 -0.4216 0.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4918 -1.9295 0.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3155 -0.7579 -1.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7739 0.5828 0.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0239 -0.6119 1.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8821 -1.1285 -1.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0813 -3.2435 -0.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0885 -3.0601 1.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8456 -3.2213 -0.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7951 -1.4638 -0.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4999 0.2485 0.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1825 -0.2639 2.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7196 -1.9588 2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1802 -0.7984 3.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3114 -1.3966 2.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2495 1.4863 2.6997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4008 0.8486 2.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9048 1.6473 0.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 2.1978 1.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1591 0.8735 -0.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 -0.6093 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8103 -0.2560 2.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5131 1.2521 1.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8826 -2.0165 -0.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1263 -1.4480 -2.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8643 -1.6603 -2.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2422 -1.5328 -0.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5170 -1.3138 0.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8004 -0.4703 0.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5252 1.3109 1.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4143 0.0937 1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1068 1.0355 -0.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2972 -0.1226 -1.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7822 1.6427 -1.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6856 1.2067 0.9536 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9729 2.3329 0.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7973 1.9146 -0.7660 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 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 19 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 25 28 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 2 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 5 38 1 0 5 39 1 0 6 40 1 0 6 41 1 0 7 42 1 0 8 43 1 0 8 44 1 0 8 45 1 0 9 46 1 0 9 47 1 0 10 48 1 0 10 49 1 0 11 50 1 0 11 51 1 0 12 52 1 0 12 53 1 0 13 54 1 0 13 55 1 0 14 56 1 0 14 57 1 0 15 58 1 0 15 59 1 0 19 60 1 0 20 61 1 0 20 62 1 0 24 63 1 0 24 64 1 0 26 65 1 0 26 66 1 0 26 67 1 0 27 68 1 0 27 69 1 0 27 70 1 0 28 71 1 0 28 72 1 0 28 73 1 0 M CHG 2 23 -1 25 1 M END