HMDB0061828 RDKit 3D 9-Methyldodecanoic acid 41 40 0 0 0 0 0 0 0 0999 V2000 -4.8931 1.5285 0.9255 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8377 0.1772 0.3012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9611 -0.8002 1.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5353 -0.3854 1.1229 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 -1.4437 1.8665 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9220 -0.2721 -0.2575 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4621 0.1521 -0.1592 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1056 0.2514 -1.5592 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5396 0.6630 -1.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4479 -0.2736 -0.8454 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8659 0.3029 -0.9633 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8594 -0.5624 -0.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2084 0.0261 -0.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3402 1.0962 -1.0383 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3287 -0.6092 0.1766 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9232 1.5219 2.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1016 2.2258 0.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8595 2.0044 0.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8730 -0.2288 0.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5047 0.2997 -0.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3682 -0.9891 2.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9985 -1.7689 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3857 0.5732 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0571 -1.0180 2.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4102 -2.1623 2.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1201 -2.0528 1.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4755 0.3832 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9344 -1.3100 -0.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3827 1.1268 0.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1046 -0.6089 0.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1126 -0.6742 -2.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4765 1.0636 -2.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6148 1.6551 -1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8741 0.7275 -2.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1836 -0.4284 0.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5017 -1.2819 -1.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8527 1.2912 -0.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1637 0.3885 -2.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8679 -1.5516 -0.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6331 -0.6593 0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8510 -0.0375 0.8297 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 4 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 2 0 13 15 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 9 33 1 0 9 34 1 0 10 35 1 0 10 36 1 0 11 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 15 41 1 0 M END