HMDB0241053 RDKit 3D 3-methyloctanedioylcarnitine 52 51 0 0 0 0 0 0 0 0999 V2000 1.7453 1.7973 1.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5329 0.3696 1.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6881 -0.5212 1.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9924 -0.1764 0.7948 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9439 -0.2720 -0.7038 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2368 0.0564 -1.3701 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3663 -0.8201 -1.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3062 -1.8026 -0.2411 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6063 -0.5104 -1.6017 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2899 -0.2585 1.6148 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9673 0.3841 1.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6242 1.0084 2.1086 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4991 0.3718 -0.0481 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6874 0.9495 -0.4856 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4544 2.1040 -1.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6554 3.1699 -0.8322 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 3.1210 -0.7897 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3353 4.2480 -0.2643 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.5164 -0.0507 -1.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9149 -1.2054 -0.4700 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.9220 -2.2692 -0.4758 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0937 -1.7579 -1.1684 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3345 -0.9636 0.8751 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8367 2.1990 1.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 2.3978 0.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6183 1.9640 2.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4111 0.2966 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7704 -0.4468 2.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4058 -1.5641 1.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7462 -0.8994 1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3689 0.8164 1.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1098 0.3476 -1.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6748 -1.3293 -0.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0989 0.0224 -2.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5189 1.1113 -1.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3156 -0.0317 -1.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3474 -1.3514 1.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4248 -0.2534 2.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2740 1.4254 0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4444 2.5279 -1.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9706 1.7326 -2.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4472 0.4217 -1.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9548 -0.3912 -2.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0462 -2.8343 -1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8768 -1.8835 -0.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1089 -2.9257 0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6053 -2.5094 -0.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8053 -0.8905 -1.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8295 -2.1367 -2.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0545 -1.7670 1.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5218 -0.9959 1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9227 -0.0244 0.8967 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 2 0 7 9 1 0 2 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 14 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 20 23 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 6 35 1 0 9 36 1 0 10 37 1 0 10 38 1 0 14 39 1 0 15 40 1 0 15 41 1 0 19 42 1 0 19 43 1 0 21 44 1 0 21 45 1 0 21 46 1 0 22 47 1 0 22 48 1 0 22 49 1 0 23 50 1 0 23 51 1 0 23 52 1 0 M CHG 2 18 -1 20 1 M END