HMDB0241852 RDKit 3D 7-(5-Pentylfuran-2-yl)heptanoylcarnitine 68 68 0 0 0 0 0 0 0 0999 V2000 8.9614 -1.6956 0.2839 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9520 -0.8194 -0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2531 0.0749 0.5806 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5426 -0.7407 1.6061 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4858 -1.6504 1.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4300 -0.8985 0.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3342 -1.4893 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5822 -0.4440 -0.7204 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2418 0.7065 -0.4434 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8729 2.0889 -0.7855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1117 2.8342 0.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8094 2.4249 0.7361 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3887 2.3559 -0.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3739 1.3719 -1.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6913 1.4492 -2.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8346 1.1599 -1.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3409 2.1216 -0.5025 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3967 -0.0930 -0.9677 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5159 -0.3262 -0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0366 -1.2232 1.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9363 -0.6246 1.7987 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7633 -0.6727 1.3841 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1966 -0.0022 2.9994 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.5976 -0.9106 -0.9121 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8264 -1.2338 -0.2909 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.8830 -2.6684 0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9036 -1.0317 -1.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1949 -0.5066 0.8735 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3430 0.3896 0.2278 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4526 -2.4104 0.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5658 -2.2375 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6269 -1.0164 0.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4708 -0.1721 -1.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2093 -1.4078 -0.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0588 0.6401 1.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6169 0.8179 0.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2802 -1.2921 2.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0442 -0.0236 2.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8751 -2.4852 0.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0097 -2.1392 1.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0749 -2.5453 -0.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6636 -0.6187 -1.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8764 2.6980 -0.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4861 2.2308 -1.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8081 3.0534 1.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9902 3.9106 -0.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5309 3.1019 1.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8513 1.3979 1.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 2.2274 0.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5565 3.3818 -0.5939 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4213 0.3534 -0.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 1.3508 -1.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5727 0.6608 -2.8287 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8033 2.4517 -2.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7430 0.6634 0.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8807 -1.5540 1.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6187 -2.1909 0.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7745 -0.2496 -1.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1920 -1.8597 -1.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9776 -3.1270 -0.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8320 -2.8321 1.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7470 -3.1695 -0.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8230 -1.4728 -0.8598 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1035 0.0665 -1.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5873 -1.4923 -2.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2420 -0.1526 0.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2301 -1.1751 1.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6080 0.4143 1.0699 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 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 19 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 25 28 1 0 9 29 1 0 29 6 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 2 34 1 0 3 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 5 39 1 0 5 40 1 0 7 41 1 0 8 42 1 0 10 43 1 0 10 44 1 0 11 45 1 0 11 46 1 0 12 47 1 0 12 48 1 0 13 49 1 0 13 50 1 0 14 51 1 0 14 52 1 0 15 53 1 0 15 54 1 0 19 55 1 0 20 56 1 0 20 57 1 0 24 58 1 0 24 59 1 0 26 60 1 0 26 61 1 0 26 62 1 0 27 63 1 0 27 64 1 0 27 65 1 0 28 66 1 0 28 67 1 0 28 68 1 0 M CHG 2 23 -1 25 1 M END