HMDB0240789 RDKit 3D 7-Methylnonanoylcarnitine 55 54 0 0 0 0 0 0 0 0999 V2000 6.0566 0.8931 1.7092 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0903 1.3106 0.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9404 0.2033 -0.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1828 -0.7265 -0.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7932 -0.7028 -0.6531 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4149 -0.2105 -0.8133 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9598 0.6999 0.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5177 1.1484 0.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5478 0.0211 0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8273 0.5196 -0.1933 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9985 1.7578 -0.3189 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9378 -0.2811 -0.2602 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2701 0.2241 -0.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7604 -0.2448 -1.8044 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8084 -1.7082 -1.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4672 -2.4795 -1.0018 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2448 -2.2846 -3.1096 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.1127 -0.1390 0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4725 0.2563 0.6956 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.8458 1.3671 -0.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2954 -0.8877 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9655 0.5050 2.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0515 0.5470 2.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2937 0.0753 1.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7983 1.7921 2.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2077 1.6495 0.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 2.2329 0.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0778 0.5577 -1.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0693 -0.0867 -0.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9231 -1.3633 0.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3745 -1.3051 -1.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8925 -1.3267 0.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0061 -1.5223 -1.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2362 0.2604 -1.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -1.1332 -0.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9586 0.2040 1.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5135 1.6329 0.3996 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5206 1.7654 -0.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2698 1.7959 0.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7815 -0.8107 -0.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5522 -0.4341 1.0501 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1250 1.3249 -0.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6834 0.2744 -2.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9920 0.0938 -2.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6375 0.3512 1.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0592 -1.2484 0.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5644 1.1052 -0.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4348 2.0844 0.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0106 1.9909 -0.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7728 -1.7829 0.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3134 -0.8210 0.7207 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3557 -0.8529 -0.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0655 0.6133 1.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5678 1.4791 2.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7378 -0.3357 2.7309 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 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 13 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 19 22 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 4 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 7 36 1 0 7 37 1 0 8 38 1 0 8 39 1 0 9 40 1 0 9 41 1 0 13 42 1 0 14 43 1 0 14 44 1 0 18 45 1 0 18 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 22 53 1 0 22 54 1 0 22 55 1 0 M CHG 2 17 -1 19 1 M END