HMDB0241052 RDKit 3D 3-Methyloctanoylcarnitine 52 51 0 0 0 0 0 0 0 0999 V2000 6.4588 -0.5684 0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9216 -1.8810 0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5543 -2.1433 0.5055 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4281 -1.2958 0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4753 0.1460 0.3985 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2297 0.8713 -0.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4152 2.3200 0.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9558 0.2747 0.4416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2249 1.0118 -0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0351 1.9679 -0.8557 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5245 0.7008 0.2753 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6619 1.3846 -0.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2255 2.2066 0.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6269 1.5004 2.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4733 0.2955 2.3815 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2583 2.2407 3.1541 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.4797 0.6375 -1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1189 -0.5803 -0.8684 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.3785 -1.1618 -2.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4867 -0.4066 -0.3642 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 -1.6173 -0.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5337 -0.6982 0.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9208 -0.1369 1.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5403 0.1185 -0.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0475 -2.0758 -1.0746 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5874 -2.6754 0.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5132 -2.1416 1.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2428 -3.2190 0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2354 -1.4138 -1.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5173 -1.7069 0.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3045 0.6095 -0.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6234 0.3468 1.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2655 0.8294 -1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1213 2.4453 1.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5258 2.5212 0.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9485 3.0424 -0.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8950 -0.7599 -0.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0203 0.2409 1.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1610 2.1997 -0.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4533 2.9652 1.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0860 2.8433 0.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8292 0.4661 -2.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2852 1.3102 -1.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1964 -1.8867 -2.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6467 -0.3171 -2.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4676 -1.6406 -2.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0663 0.2615 -1.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0418 -1.3915 -0.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5392 -0.1134 0.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4470 -2.6209 -0.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3163 -1.4211 -0.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8455 -1.8846 0.7955 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 6 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 5 32 1 0 6 33 1 0 7 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