HMDB0297966 RDKit 3D DG(a-21:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/0:0) 129128 0 0 0 0 0 0 0 0999 V2000 0.7423 10.1996 3.7483 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1247 9.3160 2.8675 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5602 8.0736 3.5497 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4556 7.1065 3.9958 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2845 6.4131 2.9519 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0380 7.2330 2.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8902 7.1500 0.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9843 6.2536 0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 6.9532 -0.8399 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8599 7.8290 -0.1271 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 5.9311 -1.5482 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4659 5.2509 -2.6114 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3733 4.2714 -3.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0885 3.5340 -4.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0815 2.5765 -4.7753 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8154 1.8572 -5.8247 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5698 1.9128 -6.5942 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6567 3.0579 -7.4558 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4297 0.7327 -7.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 -0.6307 -7.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1506 -1.2768 -6.0256 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9396 -0.7841 -4.6555 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0565 -0.0355 -4.3545 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7776 -1.0822 -3.5680 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4285 -0.5529 -2.2797 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6683 0.1850 -1.8038 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7145 -0.7670 -1.6838 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3115 -1.7397 -1.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3811 -2.7132 -1.8018 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2676 -3.8774 -0.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9351 -3.9183 0.0322 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6566 -4.9515 -1.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0064 -6.2459 -1.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0166 -6.5289 0.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9452 -7.7260 0.5438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0266 -8.0910 1.9779 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1666 -8.7651 2.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1351 -8.8992 4.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0189 -7.5486 4.8182 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5016 -7.3098 4.8757 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0164 -6.0956 5.5231 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9265 -4.7889 4.9383 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6235 -4.1881 4.5733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9295 -2.7450 4.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2534 -1.9973 3.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1184 -0.5705 3.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 -0.5380 2.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5182 0.8849 1.7541 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3754 1.6932 1.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7098 0.9575 0.8054 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9578 0.3562 1.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6373 9.7227 4.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0876 11.0521 3.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0812 10.6449 4.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0665 9.9284 2.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3082 9.2043 1.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3156 7.5457 2.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1537 8.3588 4.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1106 7.5295 4.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1196 6.2883 4.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7093 5.5664 2.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0861 5.8628 3.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7734 7.9503 2.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5197 7.8177 0.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5636 5.4079 0.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6418 5.7479 -0.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5186 7.5272 -1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6729 7.4454 0.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8479 5.7199 -1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5191 5.4477 -3.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3518 4.1193 -2.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1384 3.6750 -4.7374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0584 2.4898 -4.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6226 1.1646 -6.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3357 2.0831 -5.9664 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2973 3.1767 -7.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4649 0.9129 -8.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2810 0.7195 -8.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2902 -1.2882 -7.9762 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8328 -0.7727 -6.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2090 -1.1315 -6.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0508 -2.4129 -6.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5605 0.0688 -2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9868 0.8958 -2.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4162 0.6259 -0.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1562 -0.8055 -2.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9716 -1.3036 -0.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3024 -2.1940 -1.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8233 -4.8127 -2.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6402 -4.8876 -0.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4117 -7.0951 -1.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0707 -6.1690 -1.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0163 -6.7990 0.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3921 -5.7348 0.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9605 -7.3880 0.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6492 -8.5437 -0.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2257 -7.1503 2.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9012 -8.7940 2.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1593 -9.8281 2.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1261 -8.3416 2.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1342 -9.3174 4.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6232 -9.5974 4.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5817 -6.7635 4.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2879 -7.7797 5.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9275 -8.1894 5.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9671 -7.4566 3.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6172 -6.0612 6.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -6.2873 5.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6099 -4.8058 3.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4771 -4.0148 5.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1174 -4.6852 3.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0318 -4.1360 5.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7014 -2.9060 3.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4533 -2.2521 4.9217 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9865 -1.8525 4.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7687 -2.5219 2.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 -0.0925 2.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4646 0.0122 4.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0798 -1.0090 2.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8066 -1.0417 1.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8569 1.3726 2.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5635 1.1103 1.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2052 2.6096 1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6212 2.0572 0.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4856 0.4536 -0.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9515 2.0394 0.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3230 0.9241 2.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7711 0.3672 0.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8614 -0.7013 1.6886 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 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 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 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 6 10 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 15 73 1 0 16 74 1 0 17 75 1 1 18 76 1 0 19 77 1 0 19 78 1 0 20 79 1 0 20 80 1 0 21 81 1 0 21 82 1 0 25 83 1 6 26 84 1 0 26 85 1 0 27 86 1 0 28 87 1 0 28 88 1 0 32 89 1 0 32 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 49122 1 0 49123 1 0 49124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 51129 1 0 M END