HMDB0241163 RDKit 3D Undec-8-enoylcarnitine 56 55 0 0 0 0 0 0 0 0999 V2000 8.1525 1.0990 0.9408 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6526 0.2123 -0.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9800 -0.9799 0.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7366 -1.3544 0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7191 -0.6474 -0.6719 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5148 -0.2469 0.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4869 0.4722 -0.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2771 0.8759 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3210 1.5718 -0.7792 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9516 2.0342 -0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7070 0.8987 0.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5894 0.7353 1.7161 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4975 0.0472 -0.2486 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1997 -1.0178 0.3507 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5098 -2.2913 -0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5494 -2.3425 -1.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2090 -3.3816 -2.2259 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9606 -1.2491 -2.3242 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.6416 -1.1079 0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4103 0.0582 0.4207 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.0414 1.1975 -0.3885 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3004 0.3808 1.8091 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8081 -0.2824 0.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2506 1.0511 1.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6628 0.8765 1.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9110 2.1651 0.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 -0.1640 -0.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0603 0.7648 -0.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -1.6333 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4139 -2.2979 0.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4008 -1.3294 -1.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1725 0.2283 -1.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8598 0.3601 1.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0955 -1.1864 0.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1220 -0.2531 -1.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9176 1.3251 -1.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6513 1.5926 0.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7806 0.0041 0.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8575 2.3935 -1.2591 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0207 0.8401 -1.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5421 2.5469 -0.9214 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7449 2.8036 0.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9931 -0.9542 1.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4328 -2.1764 0.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9602 -3.1907 0.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8145 -1.2808 -1.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0605 -1.9685 0.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9655 1.7223 -0.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4517 1.9370 0.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4387 0.8649 -1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5847 1.2148 1.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2837 0.7531 2.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0416 -0.5073 2.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4705 0.5890 0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1366 -1.1459 0.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8829 -0.6267 -0.9577 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 1 0 8 9 1 0 9 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 2 28 1 0 3 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 14 43 1 0 15 44 1 0 15 45 1 0 19 46 1 0 19 47 1 0 21 48 1 0 21 49 1 0 21 50 1 0 22 51 1 0 22 52 1 0 22 53 1 0 23 54 1 0 23 55 1 0 23 56 1 0 M CHG 2 18 -1 20 1 M END