HMDB0112187 RDKit 3D 9-Hydroxyhexadecanoic acid 51 50 0 0 0 0 0 0 0 0999 V2000 7.6335 -0.0961 0.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2452 0.4845 0.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2570 -0.6409 0.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8300 -0.1456 0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8808 -1.3022 -0.0604 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4297 -0.8401 -0.1193 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1465 0.0462 -1.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2604 0.4972 -1.3585 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3442 1.3141 -2.5702 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8532 1.3742 -0.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9839 1.0168 1.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6618 -0.1808 1.5408 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1063 -0.3943 1.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4405 -0.5622 -0.1948 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9218 -0.8176 -0.4395 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7433 0.3213 0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1831 -0.0095 -0.2493 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5194 -1.0733 -0.8186 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1684 0.8933 0.1115 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5662 -1.1261 0.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0610 -0.1996 -0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2724 0.5428 0.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1475 1.2340 -0.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0101 1.0174 1.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4972 -1.3157 -0.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3627 -1.2685 1.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6599 0.4742 0.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7445 0.4476 -0.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9710 -1.9333 0.8464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1525 -1.9389 -0.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1012 -0.4583 0.8404 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8462 -1.7976 -0.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4147 -0.4019 -2.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7883 0.9808 -1.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8806 -0.3786 -1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4874 1.8226 -2.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7435 1.9641 -0.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0932 2.2959 -0.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 1.9157 1.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0416 1.2330 1.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1274 -1.1421 1.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5946 -0.1698 2.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5116 -1.3021 1.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7188 0.4582 1.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9566 -1.5566 -0.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0631 0.2163 -0.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0375 -0.8591 -1.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2099 -1.7843 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4280 1.2531 -0.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6118 0.4137 1.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6670 1.4782 -0.5526 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 8 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 6 32 1 0 7 33 1 0 7 34 1 0 8 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