HMDB0241199 RDKit 3D Undeca-2,5,8-trienoylcarnitine 52 51 0 0 0 0 0 0 0 0999 V2000 9.0347 0.4126 0.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1180 -0.7857 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7291 -0.2843 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0181 -0.4632 -1.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6103 0.0114 -1.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1740 0.6884 -0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1871 0.3499 0.6524 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3094 -0.7850 0.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8839 -0.4129 0.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4403 0.8187 0.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 1.1704 0.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3706 2.3579 0.2001 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9460 0.2024 -0.0899 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3395 0.6133 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6145 0.3100 -1.6898 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4177 -1.1173 -2.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9760 -1.9297 -1.1861 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7583 -1.5355 -3.3161 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.2058 -0.1117 0.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5824 0.1597 0.7818 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.3028 0.6491 -0.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8570 1.1223 1.8845 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2771 -1.0957 1.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1879 0.8988 -0.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5653 1.0805 0.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0025 -0.0081 0.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2194 -1.4580 0.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3738 -1.3316 -0.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2583 0.2332 0.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4404 -0.9736 -2.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9960 -0.8575 -1.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5444 0.8053 -2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7897 1.5852 0.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9863 0.9635 1.5535 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6653 -1.4826 -0.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 -1.3943 1.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1739 -1.2054 0.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1305 1.6582 0.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3924 1.7202 -0.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5323 0.7090 -2.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7877 0.8352 -2.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7886 0.0304 1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1030 -1.2418 0.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9697 1.6591 -0.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4690 -0.0538 -1.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3668 0.8453 0.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7630 1.7135 1.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0048 1.8088 1.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0509 0.5618 2.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3272 -0.8629 1.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2540 -1.7828 0.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7424 -1.4997 2.0500 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 2 3 7 8 1 0 8 9 1 0 9 10 2 3 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 7 34 1 0 8 35 1 0 8 36 1 0 9 37 1 0 10 38 1 0 14 39 1 0 15 40 1 0 15 41 1 0 19 42 1 0 19 43 1 0 21 44 1 0 21 45 1 0 21 46 1 0 22 47 1 0 22 48 1 0 22 49 1 0 23 50 1 0 23 51 1 0 23 52 1 0 M CHG 2 18 -1 20 1 M END