HMDB0241748 RDKit 3D Non-7-enoylcarnitine 50 49 0 0 0 0 0 0 0 0999 V2000 6.8391 -0.2885 1.7094 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2319 -0.7631 0.3384 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5093 -0.5044 -0.7267 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2341 0.2870 -0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1278 -0.5846 -1.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7693 0.0757 -1.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4259 0.4658 0.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0873 1.1319 0.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0457 0.3147 -0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0095 -0.8570 -0.4865 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 0.8712 0.0634 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4970 0.1628 -0.3264 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0333 0.8769 -1.5206 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3844 2.2849 -1.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2364 2.8433 -0.1972 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8961 3.0306 -2.3451 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.3771 0.0954 0.8614 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6261 -0.5736 0.7148 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.5860 -1.7825 -0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0343 -0.9804 2.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7049 0.2826 0.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6282 -0.5240 2.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6378 0.8035 1.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9393 -0.8713 1.9972 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1476 -1.3343 0.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8474 -0.8751 -1.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3185 1.1704 -1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0546 0.5097 0.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3600 -1.0157 -2.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0918 -1.4822 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7239 0.9239 -1.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0657 -0.6885 -1.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1791 1.2514 0.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5473 -0.3783 0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9525 1.3435 1.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0639 2.1109 -0.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 -0.8298 -0.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2151 0.8100 -2.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8868 0.3414 -2.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8055 -0.4710 1.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5492 1.0810 1.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9272 -1.7827 -0.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4151 -2.6690 0.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6310 -1.9394 -0.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0654 -1.3739 2.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9789 -0.1418 2.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3274 -1.7689 2.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9274 0.0126 -0.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6650 0.0523 0.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5224 1.3466 0.4106 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 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 12 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 18 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 7 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 12 37 1 0 13 38 1 0 13 39 1 0 17 40 1 0 17 41 1 0 19 42 1 0 19 43 1 0 19 44 1 0 20 45 1 0 20 46 1 0 20 47 1 0 21 48 1 0 21 49 1 0 21 50 1 0 M CHG 2 16 -1 18 1 M END