HMDB0241044 RDKit 3D 5-Methylheptanoylcarnitine 49 48 0 0 0 0 0 0 0 0999 V2000 5.3427 0.8747 1.2545 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5359 -0.3817 0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0778 -0.0007 1.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6538 1.0626 0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1535 -1.1506 1.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1666 -2.1188 -0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8227 -1.6387 -1.3819 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4343 -1.0759 -1.4813 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0088 -0.6293 -2.5708 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -1.0145 -0.3987 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7435 -0.4728 -0.5353 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6819 -1.5847 -0.1468 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4397 -2.7143 -1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4678 -3.4924 -0.9758 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3453 -2.9145 -2.1033 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.8588 0.7481 0.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1214 1.4085 0.3010 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.0826 0.8919 1.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7336 1.4787 -1.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8510 2.8110 0.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3258 0.6257 1.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4640 1.4959 0.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8213 1.5245 1.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7478 -1.1350 1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8302 -0.6828 -0.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9996 0.4938 2.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9228 2.0892 0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5828 1.1183 -0.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1841 0.9946 -0.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1301 -0.7398 1.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3856 -1.7488 2.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1807 -2.6202 -0.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4948 -3.0111 0.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7573 -2.5831 -2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5760 -1.0351 -1.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8614 -0.1638 -1.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3487 -1.9432 0.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7251 -1.3100 -0.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6063 0.5374 1.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0839 1.4654 -0.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0183 0.5589 0.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6540 0.0891 1.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3840 1.6899 1.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 2.3236 -1.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7689 0.5438 -1.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7992 1.8020 -0.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7464 3.3054 1.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0678 2.8522 1.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4902 3.3765 -0.2100 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 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 4 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 0 12 37 1 0 12 38 1 0 16 39 1 0 16 40 1 0 18 41 1 0 18 42 1 0 18 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 M CHG 2 15 -1 17 1 M END