HMDB0241857 RDKit 3D 8-(5-Butylfuran-2-yl)octanoylcarnitine 68 68 0 0 0 0 0 0 0 0999 V2000 -9.3435 1.1662 -0.8637 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4057 0.7050 -1.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5525 -0.8127 -2.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1926 -1.4469 -0.7376 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7912 -1.1082 -0.3649 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6573 -1.8239 -0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5994 -1.1523 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1144 -0.0438 0.4925 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4160 1.0298 1.2429 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9305 0.7126 1.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1498 1.7594 1.9593 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6901 1.4250 1.9025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3671 0.0925 2.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1123 -0.1284 2.4435 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6524 -0.1415 1.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1402 -0.3949 1.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6898 -0.5470 2.2905 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9443 -0.4686 0.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3406 -0.7069 0.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7221 -1.8759 -0.7768 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0655 -3.1013 -0.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3039 -3.0788 0.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2632 -4.3444 -0.8749 O 0 0 0 0 0 1 0 0 0 0 0 0 5.9549 0.5899 -0.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3668 0.6204 -0.5333 N 0 0 0 0 0 4 0 0 0 0 0 0 7.9131 0.0737 -1.7605 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0754 0.0993 0.6154 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7193 2.0571 -0.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4280 -0.0675 0.3264 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1475 0.4332 -0.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7838 2.1417 -1.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8055 1.3143 0.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6494 1.1405 -2.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3447 0.9569 -1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9080 -1.2154 -2.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6041 -1.0825 -2.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2980 -2.5401 -0.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8468 -1.0735 0.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6451 -2.7432 -1.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5604 -1.4185 -0.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7483 1.0790 2.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5339 2.0270 0.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5348 0.6607 0.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7555 -0.2714 1.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2701 2.7697 1.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4845 1.7918 3.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3295 1.3736 0.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0486 2.1769 2.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8380 -0.7678 1.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6947 0.0582 3.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2999 -1.1493 2.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6036 0.6472 3.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1572 -0.8668 0.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 0.9207 0.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6214 -0.8779 1.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8191 -2.0981 -0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4133 -1.7919 -1.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6189 1.3793 0.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5184 0.8190 -1.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6258 -0.7594 -1.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5113 0.8266 -2.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1080 -0.2273 -2.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1203 0.8875 1.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1378 -0.0536 0.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6497 -0.7850 1.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3193 2.5695 0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2760 2.5277 -1.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8142 2.1328 -0.6722 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 2 0 6 7 1 0 7 8 2 0 8 9 1 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 8 29 1 0 29 5 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 6 39 1 0 7 40 1 0 9 41 1 0 9 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