HMDB0241861 RDKit 3D 9-(5-Hexyl-3,4-dimethylfuran-2-yl)nonanoylcarnitine 83 83 0 0 0 0 0 0 0 0999 V2000 11.1311 2.1642 -1.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0392 0.7014 -0.7293 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6286 0.3357 -0.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6318 0.6472 -1.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2581 0.2591 -0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8249 0.9975 0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4482 0.5048 0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 1.1132 0.4122 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2969 0.4027 0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8574 0.7567 0.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1868 -0.0092 -0.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2823 0.3233 -0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0315 0.0208 0.7668 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0223 -1.3835 1.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6116 -2.3921 0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0413 -2.1013 -0.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9388 -2.0616 1.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3220 -1.7613 0.6468 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2197 -2.6567 0.7491 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6465 -0.5731 0.0724 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9013 -0.1834 -0.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8074 0.1247 -1.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3568 -1.0157 -2.7176 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0744 -2.1321 -2.2404 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2348 -0.8587 -4.0978 O 0 0 0 0 0 1 0 0 0 0 0 0 -7.3707 0.9531 0.4114 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6192 1.5372 0.1036 N 0 0 0 0 0 4 0 0 0 0 0 0 -9.0555 2.2836 1.3005 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4829 2.5401 -0.9424 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6799 0.5939 -0.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8164 -0.7817 1.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0201 -1.9079 1.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1943 -0.7162 1.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1432 -1.7805 1.6222 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2130 2.7309 -0.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3259 2.3573 -2.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9857 2.6279 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7026 0.4713 0.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3404 0.0999 -1.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6215 -0.7551 -0.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3815 0.8609 0.6365 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8526 0.0198 -2.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6117 1.7336 -1.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3128 -0.8257 -0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5145 0.3861 -1.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4648 0.8339 1.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7452 2.0846 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7785 1.8483 0.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4276 0.4752 1.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4002 -1.0644 -0.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6566 0.3276 -1.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3624 1.4130 -0.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7448 -0.1948 -1.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7256 0.6684 1.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1067 0.3149 0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0158 -1.6995 1.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6098 -1.4369 2.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5595 -3.4248 0.6774 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0447 -2.2913 -0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3906 -2.8484 -0.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0682 -1.1174 -0.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9295 -3.0732 1.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6212 -1.3442 1.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5759 -1.0748 -0.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7264 0.5368 -2.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0192 0.9216 -2.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3295 0.5851 1.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5908 1.7637 0.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3583 1.5198 2.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2173 2.8966 1.6654 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9106 2.9408 0.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7877 3.5705 -0.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1921 2.3463 -1.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4349 2.6707 -1.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8764 0.4746 -1.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6506 0.9071 0.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4651 -0.4154 0.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6487 -2.5855 1.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7277 -2.5300 2.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2447 -1.5480 2.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7528 -2.3540 2.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0888 -1.2661 1.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3849 -2.4819 0.8111 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 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 21 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 27 30 1 0 9 31 2 0 31 32 1 0 31 33 1 0 33 34 1 0 33 7 2 0 1 35 1 0 1 36 1 0 1 37 1 0 2 38 1 0 2 39 1 0 3 40 1 0 3 41 1 0 4 42 1 0 4 43 1 0 5 44 1 0 5 45 1 0 6 46 1 0 6 47 1 0 10 48 1 0 10 49 1 0 11 50 1 0 11 51 1 0 12 52 1 0 12 53 1 0 13 54 1 0 13 55 1 0 14 56 1 0 14 57 1 0 15 58 1 0 15 59 1 0 16 60 1 0 16 61 1 0 17 62 1 0 17 63 1 0 21 64 1 0 22 65 1 0 22 66 1 0 26 67 1 0 26 68 1 0 28 69 1 0 28 70 1 0 28 71 1 0 29 72 1 0 29 73 1 0 29 74 1 0 30 75 1 0 30 76 1 0 30 77 1 0 32 78 1 0 32 79 1 0 32 80 1 0 34 81 1 0 34 82 1 0 34 83 1 0 M CHG 2 25 -1 27 1 M END