HMDB0241040 RDKit 3D 2,2-dimethylpentanedioylcarnitine 46 45 0 0 0 0 0 0 0 0999 V2000 3.6937 -1.9179 -0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7721 -0.4217 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6226 -0.0163 1.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4472 0.2700 -0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4383 -0.1297 -1.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 0.6259 -0.7919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1987 1.4774 -1.6486 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5923 0.4738 0.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 1.2675 0.4565 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5496 2.2472 1.6126 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6634 3.1489 1.8679 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6762 3.1618 1.1334 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6003 4.0092 2.9446 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.9379 0.3891 0.8515 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2143 -0.6730 -0.0972 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.2683 -1.7366 0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1595 -0.2514 -1.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5470 -1.1769 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5278 -0.0086 -1.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0691 0.6930 -2.3047 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8508 -0.4236 -1.4713 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4355 -2.3673 -1.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9835 -2.2047 0.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7196 -2.2956 0.1472 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6763 -0.1850 0.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3583 1.0021 1.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2451 -0.6784 1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5621 1.3472 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0385 -0.0709 0.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7910 0.1431 -2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2418 -1.2324 -1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9079 1.8771 -0.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2656 1.6870 2.5344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6357 2.8236 1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8842 0.9188 1.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6420 -0.1079 1.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6753 -1.5234 1.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5543 -1.8033 -0.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7901 -2.6867 0.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2155 -0.5172 -1.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9672 -0.8127 -2.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4300 0.8270 -1.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9232 -1.7216 -0.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2101 -0.2986 0.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 -1.7980 1.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1844 -1.3302 -1.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 9 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 18 1 0 2 19 1 0 19 20 2 0 19 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 9 32 1 0 10 33 1 0 10 34 1 0 14 35 1 0 14 36 1 0 16 37 1 0 16 38 1 0 16 39 1 0 17 40 1 0 17 41 1 0 17 42 1 0 18 43 1 0 18 44 1 0 18 45 1 0 21 46 1 0 M CHG 2 13 -1 15 1 M END