HMDB0241162 RDKit 3D Undec-9-enoylcarnitine 56 55 0 0 0 0 0 0 0 0999 V2000 6.7861 2.3760 -0.7863 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0471 1.9805 0.4142 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0056 1.1461 0.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6380 0.6459 -1.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6677 -0.8005 -1.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7351 -1.7782 -0.6905 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2476 -1.9255 0.6695 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2584 -0.9001 1.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0278 -1.0520 0.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0068 -0.0024 0.6414 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2086 -0.0908 -0.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2138 0.4166 -1.3588 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 -0.7235 0.2221 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5398 -0.8225 -0.5611 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7005 -2.2878 -0.9084 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8299 -3.1615 0.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8003 -2.7425 1.4434 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9936 -4.5197 0.0761 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.7492 -0.2633 0.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5789 1.1395 0.4338 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.7027 1.2547 1.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9293 1.6114 0.7934 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1407 1.9437 -0.6661 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1354 2.9192 -1.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5963 3.1087 -0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2114 1.5021 -1.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3288 2.3534 1.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5033 0.8718 1.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2908 1.1179 -1.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6334 1.1123 -1.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7973 -1.0289 -2.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7211 -1.1458 -0.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 -1.9049 -1.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 -2.8175 -0.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1205 -1.9310 1.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8280 -2.9746 0.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5090 0.1464 1.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 -1.1808 2.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3065 -0.7301 -0.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5933 -2.0538 0.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2057 -0.0862 1.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4618 1.0049 0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3099 -0.2984 -1.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5204 -2.4178 -1.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 -2.5828 -1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6567 -0.3766 -0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9775 -0.7770 1.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4399 0.2809 2.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7579 1.7865 1.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2347 1.8177 2.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6318 1.1320 0.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9472 2.6945 0.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1415 1.3161 1.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0660 2.2456 -0.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2916 1.4794 -1.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7086 2.9188 -0.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 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 3 28 1 0 4 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