HMDB0240827 RDKit 3D 8-Methyltridecanoylcarnitine 67 66 0 0 0 0 0 0 0 0999 V2000 7.2100 1.3642 -1.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6283 0.2215 -0.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1612 -1.0958 -0.5708 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7984 -1.5903 -0.5264 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6224 -0.9929 -1.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0675 0.2579 -0.6102 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8361 0.6614 -1.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4527 -0.0194 0.7886 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8980 1.2863 1.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2869 1.1119 2.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1664 0.1251 2.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0529 0.5283 1.7174 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0712 -0.4882 1.7051 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1218 0.0147 0.7585 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9917 1.0915 0.1422 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2535 -0.7254 0.5640 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3226 -0.3798 -0.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6159 -1.3887 -1.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4614 -1.6270 -2.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5663 -2.4543 -3.1723 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2538 -0.9839 -2.0797 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.4979 -0.1369 0.6246 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7190 0.2227 0.0175 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.4805 0.9656 1.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6849 1.0448 -1.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5593 -0.9451 -0.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7255 2.1973 -0.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5491 1.0301 -1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1322 1.8236 -1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1990 0.4644 0.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7515 0.2507 -0.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6044 -1.2997 -1.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7993 -1.8488 0.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8462 -2.6914 -0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5156 -1.8332 0.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7827 -1.7641 -1.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8888 -0.7980 -2.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6632 1.1227 -0.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9705 0.1146 -1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6621 1.7468 -1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0409 0.3631 -2.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6514 -0.7636 0.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2470 -0.4288 1.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7153 2.0513 1.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1648 1.6729 0.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0787 0.7566 3.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9665 2.1224 3.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5813 -0.8601 2.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7624 0.0403 3.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4526 0.5880 0.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3218 1.5328 2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6837 -1.4664 1.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4630 -0.5752 2.7363 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9949 0.5694 -0.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4281 -1.0098 -2.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0052 -2.3501 -0.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6452 -1.0957 1.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1648 0.6024 1.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5079 1.1447 0.6751 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5083 0.4043 1.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9912 1.9366 1.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2425 2.0217 -1.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2302 0.5768 -2.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7121 1.3290 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5698 -0.8580 0.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1185 -1.8738 0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7447 -1.0144 -1.4018 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 6 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 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 17 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 23 26 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 6 38 1 0 7 39 1 0 7 40 1 0 7 41 1 0 8 42 1 0 8 43 1 0 9 44 1 0 9 45 1 0 10 46 1 0 10 47 1 0 11 48 1 0 11 49 1 0 12 50 1 0 12 51 1 0 13 52 1 0 13 53 1 0 17 54 1 0 18 55 1 0 18 56 1 0 22 57 1 0 22 58 1 0 24 59 1 0 24 60 1 0 24 61 1 0 25 62 1 0 25 63 1 0 25 64 1 0 26 65 1 0 26 66 1 0 26 67 1 0 M CHG 2 21 -1 23 1 M END