HMDB0241353 RDKit 3D 3,4-Dihydroxytetradecanoylcarnitine 69 68 0 0 0 0 0 0 0 0999 V2000 6.7470 -0.7698 -3.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3235 -0.9972 -2.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2817 -1.6186 -1.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8422 -1.8207 -0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7523 -2.4435 0.5599 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4024 -1.5970 1.6117 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7684 -0.2294 1.7178 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2973 -0.3300 2.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7566 1.0986 2.1659 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3121 0.9951 2.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2988 2.3629 2.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3679 3.1055 3.6634 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1926 3.1214 1.3696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8286 4.3769 1.4917 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7254 2.3620 0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1548 2.0599 0.3796 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8321 2.4845 1.3373 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8624 1.2617 -0.5307 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2412 0.9584 -0.3759 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9906 1.6530 -1.4648 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4432 1.4709 -1.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0962 0.8393 -0.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1665 2.0693 -2.4877 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.4987 -0.4745 -0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0727 -1.4176 -1.1230 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.8473 -2.6532 -0.8652 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2711 -1.1244 -2.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6876 -1.8337 -0.9462 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1121 0.2244 -2.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4277 -1.5575 -2.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7829 -0.7327 -4.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8205 -1.6340 -3.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8140 -0.0184 -2.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8221 -2.5901 -1.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8472 -0.9853 -0.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3206 -0.8624 -0.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3866 -2.5237 -1.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6778 -2.5458 0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1592 -3.4772 0.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4860 -1.4428 1.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2119 -2.1023 2.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8797 0.3518 0.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2959 0.3463 2.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7082 -0.8345 1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1737 -0.8311 3.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9486 1.6375 1.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3446 1.6245 2.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2121 0.3945 1.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1977 0.4380 3.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3735 2.2399 2.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1652 3.5624 3.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9146 3.3242 1.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3556 4.5939 0.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5676 2.9760 -0.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1303 1.4133 0.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5677 1.4810 0.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5458 1.4863 -2.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8397 2.7795 -1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9906 -0.7687 0.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5684 -0.6647 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9163 -2.3554 -0.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4284 -3.1024 0.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7457 -3.3548 -1.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2823 -0.7743 -2.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4430 -0.5451 -2.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1976 -2.1291 -3.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3835 -1.8909 0.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9889 -1.2077 -1.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6016 -2.8519 -1.3793 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 11 13 1 0 13 14 1 0 13 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 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 2 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 5 38 1 0 5 39 1 0 6 40 1 0 6 41 1 0 7 42 1 0 7 43 1 0 8 44 1 0 8 45 1 0 9 46 1 0 9 47 1 0 10 48 1 0 10 49 1 0 11 50 1 0 12 51 1 0 13 52 1 0 14 53 1 0 15 54 1 0 15 55 1 0 19 56 1 0 20 57 1 0 20 58 1 0 24 59 1 0 24 60 1 0 26 61 1 0 26 62 1 0 26 63 1 0 27 64 1 0 27 65 1 0 27 66 1 0 28 67 1 0 28 68 1 0 28 69 1 0 M CHG 2 23 -1 25 1 M END