HMDB0112191 RDKit 3D 13-Hydroxyhexadecanoic acid 51 50 0 0 0 0 0 0 0 0999 V2000 6.8459 1.2468 -1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5763 0.6446 -0.7171 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4356 1.4920 -1.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0705 0.9759 -0.6373 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0555 -0.3310 -1.2415 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1107 0.7408 0.8117 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.3519 1.5621 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1436 -0.8171 1.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2848 -0.6892 -0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3485 -2.0326 -0.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1622 -2.5072 0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2435 -1.5489 1.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1598 -1.3611 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2378 -0.3785 0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2041 -0.1500 -0.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2443 0.8359 -0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4976 2.0599 0.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8171 2.6296 -0.6762 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5396 2.5684 1.4788 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6086 1.6739 -2.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6316 0.4729 -1.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2758 2.0324 -0.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5257 -0.4116 -0.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6705 0.7577 0.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4079 1.5252 -2.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5627 2.5141 -0.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2525 1.5384 -1.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4205 -1.0073 -0.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4780 1.7316 1.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9539 -0.0217 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1525 0.2930 2.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1989 1.2706 1.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7894 -1.7308 0.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4702 -1.1140 2.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6172 0.0011 0.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7163 -0.2487 -0.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0153 -1.9752 -1.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4399 -2.7790 -0.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5642 -2.7435 1.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6179 -3.5290 0.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9046 -0.5867 1.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8910 -1.9700 1.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6035 -0.8293 -0.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5967 -2.3143 -0.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7098 -0.8560 1.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7793 0.5655 0.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6637 -1.0816 -1.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6746 0.2997 -1.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7093 0.3200 0.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9476 1.0070 -1.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2457 3.4653 1.7986 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 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 5 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 10 37 1 0 10 38 1 0 11 39 1 0 11 40 1 0 12 41 1 0 12 42 1 0 13 43 1 0 13 44 1 0 14 45 1 0 14 46 1 0 15 47 1 0 15 48 1 0 16 49 1 0 16 50 1 0 19 51 1 0 M END