HMDB0241843 RDKit 3D 3-(3,4-Dimethyl-5-pentylfuran-2-yl)propanoylcarnitine 62 62 0 0 0 0 0 0 0 0999 V2000 8.1876 -0.5299 -1.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2525 -0.4288 0.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1564 -1.1018 0.8258 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7695 -0.6305 0.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1919 -0.6695 -0.7246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7621 -0.1652 -0.6082 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6568 -0.8510 -0.6491 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6145 -0.0630 -0.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1613 -0.3730 -0.4927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3695 -0.4029 0.9248 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8097 -0.6935 0.9876 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2643 -1.0636 2.1385 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7265 -0.6240 -0.0122 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1669 -0.9754 0.2456 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3634 -2.0093 -0.8217 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6166 -2.7100 -0.9308 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3097 -3.1879 0.0352 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2308 -2.9480 -2.1867 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.8808 0.2828 -0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2482 0.4810 0.0956 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.9160 0.4381 -1.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9802 -0.3433 0.9937 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4985 1.9147 0.5229 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0620 1.2498 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2517 2.4780 -0.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4327 1.1716 -0.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3794 2.3270 -0.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5345 -1.3614 -1.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9048 0.4048 -1.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2157 -0.7559 -1.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2582 -0.8536 0.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3253 0.6396 0.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1859 -2.1982 0.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3746 -1.0850 1.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6866 0.4192 1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1088 -1.2593 1.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2176 -1.6655 -1.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6994 0.0741 -1.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0448 -1.3937 -0.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4164 0.3832 -1.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1416 0.5666 1.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1774 -1.1905 1.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1885 -1.2930 1.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 -2.7895 -0.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2140 -1.4433 -1.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3533 1.1094 0.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6058 0.6322 -1.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7233 1.2093 -1.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4122 -0.5564 -1.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1812 0.5826 -2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3803 -0.9752 1.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7696 -0.9389 0.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5873 0.3019 1.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0454 2.5797 -0.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1971 2.0431 1.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5999 2.0303 0.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2719 2.8226 0.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1995 2.2748 -0.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7177 3.3011 -0.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6576 2.5561 0.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9809 3.2219 -0.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2971 2.0348 -0.8964 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 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 8 24 2 0 24 25 1 0 24 26 1 0 26 27 1 0 26 6 2 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 2 32 1 0 3 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 5 37 1 0 5 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 25 57 1 0 25 58 1 0 25 59 1 0 27 60 1 0 27 61 1 0 27 62 1 0 M CHG 2 18 -1 20 1 M END