HMDB0241844 RDKit 3D 3-(3-Methyl-5-pentylfuran-2-yl)propanoylcarnitine 59 59 0 0 0 0 0 0 0 0999 V2000 9.0622 0.6425 -2.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7161 0.1367 -1.6046 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5805 0.2689 -0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2476 -0.2670 0.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1281 0.4915 -0.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7937 -0.0295 0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5405 -1.0935 0.9635 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1671 -1.1771 1.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3910 -2.1705 1.8288 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6789 -0.1639 0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 0.1258 0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3907 0.7516 1.2404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8251 1.0569 1.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1488 2.2773 0.9032 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7957 0.0634 0.9508 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1794 0.4382 0.7446 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9355 -0.1859 1.8566 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5128 0.2486 3.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5783 1.0655 3.3229 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1786 -0.2734 4.3220 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.5223 -0.0833 -0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8195 0.1326 -1.1137 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.6815 1.0324 -0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8285 0.4903 -2.5354 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5101 -1.1758 -1.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 0.4914 -0.2826 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1729 1.7167 -1.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1929 0.4561 -3.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8555 0.0663 -1.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9516 0.7153 -2.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6050 -0.9119 -1.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6768 1.3534 0.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4226 -0.2301 0.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2226 -1.3434 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1727 -0.3118 1.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1409 1.5736 -0.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1477 0.3844 -1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2795 -1.7008 1.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2019 -1.6978 2.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4722 -2.4523 1.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0613 -3.0700 1.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0973 0.7226 -0.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2569 -0.8616 -0.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3369 -0.0186 2.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1891 1.6540 1.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2331 1.5235 0.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0477 0.0147 1.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7677 -1.2884 1.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2334 -1.1659 -0.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7985 0.4198 -1.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5387 0.5403 0.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1905 1.6837 -1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1158 1.7299 0.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8655 0.2421 -2.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7830 1.6171 -2.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0369 0.0293 -3.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0691 -1.8476 -1.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6011 -1.0230 -1.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2861 -1.6132 -0.0864 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 2 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 16 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 22 25 1 0 10 26 1 0 26 6 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 5 36 1 0 5 37 1 0 7 38 1 0 9 39 1 0 9 40 1 0 9 41 1 0 11 42 1 0 11 43 1 0 12 44 1 0 12 45 1 0 16 46 1 0 17 47 1 0 17 48 1 0 21 49 1 0 21 50 1 0 23 51 1 0 23 52 1 0 23 53 1 0 24 54 1 0 24 55 1 0 24 56 1 0 25 57 1 0 25 58 1 0 25 59 1 0 M CHG 2 20 -1 22 1 M END