HMDB0112180 RDKit 3D 5-Hydroxyoctadecanoic acid 57 56 0 0 0 0 0 0 0 0999 V2000 5.5589 2.6047 -0.2188 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0330 1.7492 0.9404 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8424 1.1950 1.6632 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9840 0.3381 0.7347 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7477 -0.8207 0.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8732 -1.6342 -0.7318 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6734 -2.1767 -0.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8330 -3.0022 -0.9839 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3425 -2.2083 -2.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4848 -1.0365 -1.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7137 -1.5351 -0.9931 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6181 -0.3749 -0.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7653 -0.9893 0.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7726 0.0225 0.6849 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7538 -0.7646 1.3341 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3408 0.8632 -0.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3190 1.8645 0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5289 1.3298 0.7847 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3713 2.5171 1.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0445 3.6953 0.9073 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5545 2.2661 1.8295 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4479 3.1474 -0.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0732 1.9787 -0.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8335 3.3424 0.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6712 2.3677 1.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7228 0.9901 0.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1106 0.5552 2.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2045 2.0477 1.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1736 -0.0879 1.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5558 0.9673 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0454 -1.4946 1.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6988 -0.5363 -0.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 -1.0302 -1.5993 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4983 -2.4950 -1.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0214 -1.3703 0.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0200 -2.8251 0.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5069 -3.8412 -1.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0237 -3.4680 -0.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7267 -2.9229 -2.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1794 -1.9216 -2.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0833 -0.3599 -1.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2159 -0.4887 -2.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3748 -2.0341 -0.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3343 -2.1761 -1.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9085 0.2342 -1.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0868 0.2985 0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2410 -1.7441 -0.4807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3727 -1.5198 1.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2897 0.6769 1.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2057 -1.2800 0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8480 0.2565 -1.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4800 1.4014 -0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8705 2.6229 0.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7128 2.4863 -0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1544 0.6847 0.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2967 0.8546 1.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7611 2.7801 2.6855 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 1 0 18 19 1 0 19 20 2 0 19 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 11 43 1 0 11 44 1 0 12 45 1 0 12 46 1 0 13 47 1 0 13 48 1 0 14 49 1 0 15 50 1 0 16 51 1 0 16 52 1 0 17 53 1 0 17 54 1 0 18 55 1 0 18 56 1 0 21 57 1 0 M END