HMDB0040598 RDKit 3D (±)-11-Methylhexadecanoic acid 53 52 0 0 0 0 0 0 0 0999 V2000 -8.0154 1.0375 -1.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2451 0.3910 -0.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7934 0.3456 -0.7222 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9225 -0.2863 0.3417 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4938 -0.2649 -0.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5703 -0.8865 0.8064 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9680 -2.3051 1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1383 -0.8805 0.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6423 0.4983 0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7695 0.4578 -0.4883 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6832 -0.1739 0.5205 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1189 -0.2186 0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6687 1.1397 -0.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1051 1.0339 -0.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0033 0.3807 0.3082 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4022 0.3320 -0.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3448 -0.2965 0.6682 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9291 -0.7014 1.7751 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6686 -0.4496 0.3595 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9675 1.4868 -1.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3458 1.8081 -1.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1641 0.2616 -2.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3921 1.0228 0.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6716 -0.6202 -0.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7368 -0.2934 -1.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4592 1.3767 -0.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9810 0.3758 1.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2392 -1.2893 0.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4323 -0.8368 -1.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2508 0.7773 -0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6521 -0.2895 1.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7647 -2.6892 0.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2439 -2.4453 2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0956 -3.0065 0.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5477 -1.3942 1.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0722 -1.4916 -0.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2552 0.9737 -0.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6267 1.1073 0.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7767 -0.1094 -1.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1314 1.4965 -0.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3735 -1.2563 0.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6647 0.3553 1.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6981 -0.6917 0.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1992 -0.8276 -0.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1172 1.5689 -1.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5296 1.8509 0.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4585 2.0702 -0.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1064 0.4916 -1.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7119 -0.6326 0.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 1.0137 1.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4353 -0.2126 -1.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7066 1.3842 -0.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0851 -0.4882 -0.5397 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 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 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 7 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