HMDB0296801 RDKit 3D DG(22:0/0:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) 133132 0 0 0 0 0 0 0 0999 V2000 -14.6592 3.5919 1.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4376 2.0435 2.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5664 1.5024 1.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5522 0.7804 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1998 0.1363 -0.4021 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4959 -1.3046 -0.3717 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0818 -2.3920 0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6595 -2.2480 0.8925 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0159 -2.9294 2.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0214 -3.8508 2.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7652 -4.1065 1.8884 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3395 -2.8249 1.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0792 -2.6549 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9351 -3.3645 -1.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7447 -2.2858 -2.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7306 -1.1478 -2.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6298 -1.6124 -1.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6897 -0.9634 -0.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1412 0.5090 -0.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4968 0.2432 1.0664 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0590 1.4476 -0.2394 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0491 1.4396 0.8217 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1805 0.3426 1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2181 -0.5950 1.8925 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9432 0.3494 0.2817 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0078 -0.6672 0.6103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8747 -0.7903 -0.3276 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9578 -1.6876 0.2012 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2681 0.6226 -0.5714 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0786 0.4205 -1.3286 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8896 0.8997 -1.8212 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4997 2.4646 -1.2557 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0908 1.3724 -2.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3197 1.4570 -1.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0046 0.2164 -1.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1537 0.6248 -0.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7743 -0.4516 0.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6183 -1.5297 0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9269 -0.9827 -0.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0475 -1.9260 -0.7522 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3403 -2.6801 0.5548 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5704 -3.4765 0.5848 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8403 -2.6171 0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7280 -1.4538 1.4421 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9708 -0.5984 1.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7715 0.7406 2.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6063 1.4373 1.3199 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7385 1.8627 -0.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3932 3.1282 -0.4657 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7718 3.4865 -0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0924 4.7885 -0.9706 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2149 4.3863 -2.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4773 3.5209 -2.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6879 3.7988 2.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9271 4.1164 2.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7231 3.9113 0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5053 1.7538 3.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4734 1.9271 1.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6220 1.8396 1.6099 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3830 0.4607 -0.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4334 0.4659 0.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1666 0.6393 -1.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6244 -1.4519 -0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4102 -3.3637 -0.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3418 -1.2697 0.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2008 -2.9820 0.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8639 -2.7585 2.6758 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4331 -4.3918 3.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9543 -4.3007 2.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7017 -4.9508 1.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2307 -2.0183 1.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2956 -1.4327 -0.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0609 -3.6369 -1.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6662 -4.2120 -1.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5192 -2.4469 -2.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1138 -0.2987 -2.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1055 -2.5979 -1.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7531 -1.1520 -0.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0407 0.8134 -0.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0201 -0.5992 1.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3951 2.5359 -0.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4035 1.3044 -1.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4397 2.4042 0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6006 1.6701 1.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6347 -1.6130 0.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6096 -0.4584 1.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1598 -1.1963 -1.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0001 -2.5258 -0.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0330 1.1273 -1.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0415 1.0710 0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9974 2.2800 -3.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3281 0.5242 -3.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0509 2.2131 -2.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9644 1.9363 -0.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3358 -0.4399 -1.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2894 -0.3489 -0.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9277 1.1535 -0.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8234 1.4409 0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8802 -0.9678 1.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2972 0.0357 1.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7572 -2.3177 0.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0952 -2.0621 -0.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2376 -0.1496 0.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7147 -0.4521 -1.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9314 -1.3252 -1.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7559 -2.5946 -1.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4803 -3.4756 0.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0938 -2.0484 1.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7186 -3.9197 1.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6234 -4.2276 -0.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0025 -2.2391 -0.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6803 -3.2094 0.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7894 -0.9580 1.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8235 -1.9710 2.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2940 -0.4318 0.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8478 -1.0766 1.8214 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5950 0.5552 3.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6608 1.3444 1.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6400 0.9604 1.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4889 2.4148 1.9269 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7653 1.7548 -0.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3433 0.9872 -0.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7368 3.9268 0.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0314 3.4968 -1.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9079 3.8605 0.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5258 2.7677 -0.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2490 5.4759 -0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0370 5.1708 -0.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3619 3.7117 -2.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1894 5.1985 -3.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2300 2.5637 -2.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1270 4.1484 -3.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9837 3.4378 -1.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 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 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 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 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 14 74 1 0 15 75 1 0 16 76 1 0 17 77 1 0 18 78 1 0 19 79 1 0 20 80 1 0 21 81 1 0 21 82 1 0 22 83 1 0 22 84 1 0 26 85 1 0 26 86 1 0 27 87 1 6 28 88 1 0 29 89 1 0 29 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 48122 1 0 49123 1 0 49124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 53133 1 0 M END