HMDB0061658 RDKit 3D 3-Hydroxyhexadecanoic acid 51 50 0 0 0 0 0 0 0 0999 V2000 -6.2930 1.8273 -0.6464 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6284 0.4253 -0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8305 -0.6111 -0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3460 -0.4751 -0.7419 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8954 -0.5796 0.6658 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3676 -0.4382 0.6911 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8982 0.8765 0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3685 0.9231 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2123 -0.2045 -0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7613 -0.0892 -0.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1715 -0.1853 0.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5748 -0.1011 1.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6049 -1.0553 0.9647 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8914 -1.1654 -0.4840 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9501 -2.1079 -0.7022 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2642 0.1562 -1.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4886 0.6862 -0.4333 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7426 1.9124 -0.6772 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3521 -0.0053 0.3718 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7619 2.3421 0.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5962 1.8238 -1.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1868 2.4235 -0.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5726 0.3125 0.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7000 0.2467 -0.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1583 -1.6083 -0.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0451 -0.5217 -2.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8261 -1.2389 -1.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0067 0.5228 -1.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1107 -1.5366 1.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2885 0.2622 1.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9381 -0.6726 1.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9732 -1.2234 -0.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3641 1.7570 0.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0777 0.9479 -0.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2242 0.7227 1.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0265 1.8962 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0438 -1.2001 -0.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1024 -0.1792 -1.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1211 -0.8095 -1.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0021 0.9278 -0.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6544 0.6807 1.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6801 -1.0936 1.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9085 0.9846 1.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5671 0.0142 2.5182 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3934 -2.1015 1.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5944 -0.8339 1.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0510 -1.6097 -1.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0327 -2.2948 -1.6605 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 0.8804 -0.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3885 0.0800 -2.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7414 0.3096 1.2418 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 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 14 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 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 6 15 48 1 0 16 49 1 0 16 50 1 0 19 51 1 0 M END