HMDB0267537 RDKit 3D PA(i-14:0/20:4(5Z,8Z,10E,14Z)-OH(12S)) 112111 0 0 0 0 0 0 0 0999 V2000 -13.7409 1.3833 -1.7767 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0793 1.8972 -0.5075 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8004 1.4778 0.7201 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9535 0.0435 0.9862 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7095 -0.7366 1.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6512 -0.7108 0.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4152 -0.3517 0.5093 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9250 0.0665 1.8267 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3773 1.5011 1.7599 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.3557 2.4112 1.3896 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3025 1.5672 0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2505 0.7467 0.7567 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2610 0.9070 -0.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2168 0.1351 -0.3353 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8687 -0.9400 0.5759 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7619 -2.2539 -0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6422 -2.9243 -0.1133 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4145 -2.4247 0.5009 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8494 -3.3205 1.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5675 -2.6961 2.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4272 -2.5377 1.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8377 -3.5350 0.3832 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9144 -1.3047 0.6639 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8378 -1.1518 -0.3878 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0753 -0.4312 0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9309 -0.2669 -1.0704 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5017 -1.2613 -1.8102 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2648 -2.4584 -1.5301 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 -0.9409 -2.9605 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8319 0.4728 -2.9447 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5329 0.9496 -1.7732 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8244 0.4575 -1.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0299 -0.9216 -0.8747 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3996 -1.2091 -0.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9008 -0.6280 0.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0374 0.8158 1.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8773 1.6047 0.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3237 1.3726 0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2527 1.6193 1.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6865 1.3108 0.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1090 0.7366 2.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0911 -0.4017 -1.5001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6592 0.8358 -1.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1712 1.6123 -2.2819 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.6552 1.2975 -2.1838 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1062 3.2775 -2.1928 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4416 1.0824 -3.7825 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.6323 1.9678 -2.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9840 1.5935 -2.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8691 0.2908 -1.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0773 3.0157 -0.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0351 1.5977 -0.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3662 1.9847 1.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8250 1.9703 0.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6083 -0.4819 0.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5786 -0.0703 1.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3510 -0.5049 2.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0813 -1.8245 1.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8646 -1.0071 -0.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6738 -0.3637 -0.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6031 -0.0395 2.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0145 -0.5799 2.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9766 1.7409 2.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1736 2.7322 0.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3667 2.3075 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1804 0.0099 1.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4154 1.7042 -1.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5170 0.3283 -1.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0151 -0.6280 1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6955 -1.0847 1.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6763 -2.6551 -0.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5723 -3.9115 -0.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6236 -2.5109 -0.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3559 -1.3892 0.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5682 -3.4715 2.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5595 -4.2747 1.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8344 -1.6700 2.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1696 -3.2377 3.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1072 -2.1308 -0.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5414 -1.0069 0.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8231 0.6163 0.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1741 -1.7210 -3.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7124 -1.0576 -3.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2986 0.7921 -3.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8491 1.0736 -2.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7754 0.9823 -0.9103 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6555 2.0974 -1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1279 1.1386 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6102 0.7421 -2.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2909 -1.2358 -0.0634 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8590 -1.6988 -1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1737 -1.0057 -1.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5417 -2.3447 -0.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2955 -1.0270 1.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9152 -1.0950 1.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1028 1.3625 1.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6027 0.8761 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6805 2.7058 0.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4684 1.5677 -0.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4346 0.2805 -0.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6549 2.0124 -0.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2895 2.7038 1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0245 2.2289 0.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3409 1.1239 1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6396 0.4447 -0.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1436 0.5034 2.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5817 1.2806 3.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6684 -0.2447 2.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7139 -0.3020 -2.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1624 -0.9660 -1.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3945 3.4878 -1.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2729 0.1025 -3.8526 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 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 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 38 39 1 0 39 40 1 0 39 41 1 0 24 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 44 47 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 3 54 1 0 4 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 1 10 64 1 0 11 65 1 0 12 66 1 0 13 67 1 0 14 68 1 0 15 69 1 0 15 70 1 0 16 71 1 0 17 72 1 0 18 73 1 0 18 74 1 0 19 75 1 0 19 76 1 0 20 77 1 0 20 78 1 0 24 79 1 6 25 80 1 0 25 81 1 0 29 82 1 0 29 83 1 0 30 84 1 0 30 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 40103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 46111 1 0 47112 1 0 M END