HMDB0031067 RDKit 3D (S)-14-Methylhexadecanoic acid 53 52 0 0 0 0 0 0 0 0999 V2000 -7.0338 1.9533 0.6722 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8106 1.4533 -0.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1088 0.3775 0.7826 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0822 -0.7487 0.9702 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8997 -0.0878 -0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1593 -1.1607 0.7372 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 -1.6158 -0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 -0.5304 -0.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1241 -1.2252 -1.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2018 -0.2390 -1.5654 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8663 0.4073 -0.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5306 -0.6083 0.5253 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5860 -1.3966 -0.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7137 -0.5929 -0.7202 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4699 0.1963 0.2973 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5872 0.9728 -0.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3621 1.7674 0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0526 1.7378 1.8153 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4113 2.5265 0.1469 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0940 3.0594 0.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9269 1.7303 1.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9704 1.5103 0.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0132 1.0207 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0742 2.2785 -0.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7468 0.7522 1.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0193 -0.3259 1.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3017 -1.2441 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6565 -1.4653 1.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1833 -0.4519 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2372 0.8101 -0.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8553 -2.0078 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8478 -0.7490 1.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 -2.4402 0.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3122 -2.0366 -1.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4838 0.2389 -0.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5847 -0.0919 0.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4821 -2.0477 -0.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3596 -1.5585 -2.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 -0.7734 -2.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8244 0.5541 -2.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 1.0653 -0.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1534 1.0445 0.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8828 -0.1291 1.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 -1.3169 0.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9764 -2.1435 0.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1142 -2.0018 -0.9645 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3524 0.0938 -1.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4162 -1.2938 -1.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9680 -0.5031 1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8741 0.8908 0.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2767 0.2704 -0.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1676 1.6244 -1.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3653 2.4501 0.4578 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 3 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 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 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 4 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 7 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 10 39 1 0 10 40 1 0 11 41 1 0 11 42 1 0 12 43 1 0 12 44 1 0 13 45 1 0 13 46 1 0 14 47 1 0 14 48 1 0 15 49 1 0 15 50 1 0 16 51 1 0 16 52 1 0 19 53 1 0 M END