HMDB0241682 RDKit 3D Hept-4-enoylcarnitine 44 43 0 0 0 0 0 0 0 0999 V2000 5.5667 -0.4161 0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 0.9915 0.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0415 1.4258 -0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5002 0.6340 -1.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 1.0615 -2.2804 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 0.2212 -2.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6617 0.3052 -0.7485 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2901 1.0180 0.0689 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4641 -0.3482 -0.2825 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9879 -0.3045 1.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7807 -1.5488 1.8274 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3238 -2.7877 1.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8687 -2.9858 0.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2089 -3.9199 2.1156 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.2384 0.4378 1.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4346 0.1379 0.5807 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.2056 -0.9793 0.9704 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3082 1.3381 0.7457 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2738 0.0815 -0.8812 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5214 -0.6494 0.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8376 -1.1806 0.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8434 -0.5654 -0.8836 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0080 1.6645 0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7335 1.0448 1.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6194 2.4382 -0.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -0.3765 -1.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2179 2.1344 -2.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7785 0.9026 -3.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 -0.8545 -2.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3829 0.5117 -2.8553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2074 0.4207 1.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3218 -1.7463 2.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1444 -1.3500 2.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0189 1.5409 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3943 0.4590 2.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8582 -1.4502 1.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3216 -1.7598 0.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2420 -0.6523 1.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6231 1.4439 1.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1148 1.3296 0.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6373 2.1995 0.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9127 1.0538 -1.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5880 -0.7407 -1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2584 -0.1803 -1.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 10 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 10 31 1 0 11 32 1 0 11 33 1 0 15 34 1 0 15 35 1 0 17 36 1 0 17 37 1 0 17 38 1 0 18 39 1 0 18 40 1 0 18 41 1 0 19 42 1 0 19 43 1 0 19 44 1 0 M CHG 2 14 -1 16 1 M END