HMDB0240858 RDKit 3D 12-MethylHexadecanoylcarnitine 76 75 0 0 0 0 0 0 0 0999 V2000 -10.9063 0.4621 0.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4776 0.1651 0.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9066 -0.9118 -0.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4854 -1.2534 0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5439 -0.1004 -0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4388 0.4138 -1.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1981 -0.5011 0.5733 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5691 -1.6422 -0.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2659 -2.0515 0.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1169 -1.1560 0.2337 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1257 0.2164 0.7671 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6781 0.8042 0.6102 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3341 0.8091 -0.8262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8923 1.4756 -1.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1961 1.0673 -0.7778 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4348 1.3365 0.6655 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8217 0.8921 1.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1570 1.0224 2.2577 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7230 0.3599 0.1941 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0418 -0.0714 0.5239 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2015 -1.5403 0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9324 -2.0939 -0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7486 -2.1450 -1.9007 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6681 -2.6120 -1.2184 O 0 0 0 0 0 1 0 0 0 0 0 0 7.0108 0.8236 -0.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3941 0.6338 0.0793 N 0 0 0 0 0 4 0 0 0 0 0 0 8.9908 -0.0016 -1.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0233 1.9780 0.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8218 0.0124 1.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1192 1.5381 0.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5713 -0.1481 0.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9562 0.1801 -1.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4723 -0.1376 1.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8800 1.0973 0.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4807 -1.8619 -0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8428 -0.6258 -1.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5431 -1.6274 1.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1101 -2.0581 -0.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9265 0.7506 0.5993 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4273 -0.4473 -2.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3642 1.0007 -1.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5899 1.0996 -1.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3564 -0.8276 1.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5634 0.3697 0.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4877 -1.3265 -1.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2718 -2.5305 -0.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3394 -2.3699 1.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0119 -3.0686 -0.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -1.7018 0.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9257 -1.0206 -0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6634 0.9363 0.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4862 0.3570 1.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5627 1.7216 1.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1003 -0.0791 1.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2137 1.1821 -1.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2668 -0.2774 -1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8813 1.3631 -2.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7188 2.5986 -1.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3025 -0.0555 -0.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0096 1.5272 -1.4083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7633 0.9033 1.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4078 2.4708 0.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0997 0.1422 1.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2058 -1.9153 0.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5144 -2.0749 1.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8658 0.9272 -1.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7430 1.8724 0.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4084 0.2373 -2.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1029 -1.1031 -0.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0178 0.3759 -1.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5369 2.5959 -0.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1015 1.7812 -0.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9473 2.3636 1.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6301 0.5921 1.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0634 -0.1643 2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3576 -0.9544 1.0538 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 5 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 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 20 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 26 29 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 6 40 1 0 6 41 1 0 6 42 1 0 7 43 1 0 7 44 1 0 8 45 1 0 8 46 1 0 9 47 1 0 9 48 1 0 10 49 1 0 10 50 1 0 11 51 1 0 11 52 1 0 12 53 1 0 12 54 1 0 13 55 1 0 13 56 1 0 14 57 1 0 14 58 1 0 15 59 1 0 15 60 1 0 16 61 1 0 16 62 1 0 20 63 1 0 21 64 1 0 21 65 1 0 25 66 1 0 25 67 1 0 27 68 1 0 27 69 1 0 27 70 1 0 28 71 1 0 28 72 1 0 28 73 1 0 29 74 1 0 29 75 1 0 29 76 1 0 M CHG 2 24 -1 26 1 M END