HMDB0266801 RDKit 3D PA(a-13:0/20:4(6E,8Z,11Z,14Z)-OH(5S)) 109108 0 0 0 0 0 0 0 0999 V2000 13.2597 0.1604 2.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6027 -1.1154 1.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1215 -1.4328 0.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9046 -0.4413 -0.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5233 -0.0899 -1.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6420 0.5095 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4929 0.0246 0.3286 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8934 -1.2453 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6147 -2.0910 1.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3757 -2.4421 1.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2465 -2.0238 0.4818 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5547 -3.2220 -0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2886 -3.4805 0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4166 -2.5730 0.8501 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1262 -2.8134 1.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2474 -1.8938 1.7348 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0470 -2.0157 1.2166 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7014 -0.4780 1.8102 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8992 0.2352 0.5303 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7447 0.4120 -0.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3667 1.2308 0.1442 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3661 1.6526 1.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3910 1.5235 -0.7003 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5034 2.3268 -0.3612 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7745 1.5668 -0.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8980 2.3673 -0.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5323 3.1769 -1.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0804 3.2015 -2.2452 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7088 4.0375 -0.7478 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5026 3.5541 0.4113 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0797 2.1617 0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9866 2.1595 -1.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5860 0.8097 -1.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5638 -0.2801 -1.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1908 -1.6014 -1.7535 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0120 -2.2483 -0.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5237 -2.6933 0.5506 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9601 -1.6393 1.4497 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6191 -3.9047 0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1902 -4.2556 1.9335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4942 3.6250 -1.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2685 4.3096 -0.7850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1627 5.7798 -1.5622 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.4518 6.9031 -0.6101 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4585 5.9650 -2.0846 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1282 5.8277 -2.9550 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3602 0.0867 2.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9880 0.3703 3.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9234 0.9904 1.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0091 -1.9171 2.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5257 -1.1329 1.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8154 -2.4579 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2567 -1.5348 0.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4955 0.4840 -0.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4625 -0.7961 -1.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0382 -0.9405 -1.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6732 0.6528 -1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9700 1.4728 0.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9437 0.6258 1.0873 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1411 -1.1711 -0.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7652 -1.8133 -0.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4354 -2.4239 1.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1809 -3.0553 2.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5418 -1.3721 1.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4865 -1.3715 -0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1814 -3.9277 -0.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8721 -4.4161 -0.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7862 -1.6899 1.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7263 -3.7173 0.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1399 -2.2349 2.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3195 -2.9760 1.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 0.1308 2.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6784 -0.4545 2.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2039 1.3050 0.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7411 -0.1781 -0.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2744 -0.5595 -0.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1405 0.8303 -1.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3106 2.6118 0.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7565 0.7541 0.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8372 1.0001 -1.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3011 4.1718 -1.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3662 5.0820 -0.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2837 4.2739 0.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8104 3.4576 1.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6391 1.9013 1.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2407 1.4736 0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8309 2.8811 -0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4232 2.4268 -1.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2562 0.9282 -2.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1755 0.5344 -0.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7180 -0.2322 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1135 0.0193 -2.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3984 -2.2593 -2.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8742 -1.4362 -2.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5404 -3.1175 -1.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9046 -1.5638 -0.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4406 -3.0697 1.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6222 -0.7584 1.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9801 -1.9974 2.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9351 -1.3047 1.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7077 -3.7521 -0.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1400 -4.7924 0.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2119 -3.7367 2.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9412 -4.0603 2.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8961 -5.3455 1.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3234 4.2846 -0.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4531 3.4717 -2.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0511 5.2555 -1.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8105 6.5502 -2.8186 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 24 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 46 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 10 63 1 0 11 64 1 0 11 65 1 0 12 66 1 0 13 67 1 0 14 68 1 0 15 69 1 0 16 70 1 1 17 71 1 0 18 72 1 0 18 73 1 0 19 74 1 0 19 75 1 0 20 76 1 0 20 77 1 0 24 78 1 1 25 79 1 0 25 80 1 0 29 81 1 0 29 82 1 0 30 83 1 0 30 84 1 0 31 85 1 0 31 86 1 0 32 87 1 0 32 88 1 0 33 89 1 0 33 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 45108 1 0 46109 1 0 M END