HMDB0050935 RDKit 3D TG(20:3(5Z,8Z,11Z)/18:0/18:4(6Z,9Z,12Z,15Z)) 165164 0 0 0 0 0 0 0 0999 V2000 -4.9214 8.7347 0.8226 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0613 7.7381 0.8689 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1855 8.2970 0.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6553 7.7161 -0.9637 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1919 6.4522 -1.5589 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8193 6.6289 -2.9668 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7188 6.4113 -3.5783 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4438 5.9127 -3.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2428 5.6236 -1.6907 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0080 4.4224 -1.2102 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9199 3.2052 -2.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9558 2.2606 -1.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6538 1.0991 -1.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3302 0.5183 -0.9234 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9860 0.1401 0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9583 1.2709 1.4714 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9283 2.3043 1.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 1.7938 1.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 2.3413 0.4534 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1686 0.7388 1.9808 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1249 0.1913 2.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1687 1.1716 2.5247 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5215 0.5094 2.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5686 1.4228 2.6512 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9056 1.1662 2.6826 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2572 -0.0548 2.5279 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9606 2.1725 2.8739 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9302 3.3554 1.9944 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0752 3.0229 0.5373 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9660 2.1540 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1562 0.9648 -0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4921 0.3607 -0.5885 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5861 0.0215 -2.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8288 -1.2097 -2.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0381 -2.3599 -1.6435 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1656 -3.5143 -1.6227 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0588 -3.7174 -2.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3371 -2.8463 -3.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9380 -2.6616 -2.5509 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0281 -1.8342 -3.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4762 -0.4329 -3.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4263 0.2839 -4.5093 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9187 1.6773 -4.7499 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9446 2.4763 -5.6009 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5153 3.8591 -5.7877 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8372 1.6736 3.7632 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5515 2.9486 4.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6022 3.8252 3.2370 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1865 3.4048 5.5058 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 2.1787 6.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3702 1.4761 5.7035 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7908 0.2322 6.4904 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9504 -0.4431 5.7486 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3469 -1.6605 6.5292 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4735 -2.4246 5.8325 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0154 -2.8583 4.4581 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8053 -3.7504 4.5093 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3076 -4.1776 3.1656 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2689 -4.9530 2.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5506 -5.2763 1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3619 -6.0646 0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5013 -6.3060 -1.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2082 -7.0912 -2.2292 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4511 -6.4305 -2.7313 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1555 -7.2274 -3.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9771 9.4338 1.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9325 8.2494 0.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9372 9.3559 -0.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7936 6.7155 0.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4016 7.7168 1.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6185 9.2766 0.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5003 8.2035 -1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4826 5.8780 -0.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1396 5.7806 -1.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6590 7.0305 -3.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6935 6.6375 -4.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6227 6.7366 -3.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0432 5.0757 -3.7264 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2457 6.4984 -0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8706 4.3591 -0.1011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9174 2.7813 -2.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1832 3.4464 -3.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9965 2.6220 -1.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4957 0.4713 -0.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4784 1.0618 -1.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3571 -0.4761 -1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6521 -0.6722 0.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9472 -0.2847 0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7767 0.8213 2.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9411 1.7816 1.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0405 3.1541 1.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1266 2.7477 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3904 -0.2965 1.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0404 -0.6658 2.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1697 2.0102 1.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -0.3714 3.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6244 0.1406 1.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9574 2.5543 3.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9622 1.6927 2.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8325 3.9863 2.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0736 4.0429 2.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0063 3.9974 -0.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0869 2.6462 0.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9219 2.5487 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2378 0.4118 -0.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6098 -0.5421 0.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3352 0.9974 -0.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4408 0.8581 -2.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9161 -1.3662 -3.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3690 -2.0806 -0.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0684 -2.8165 -2.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4941 -4.3819 -0.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5160 -4.7188 -2.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7688 -1.8812 -3.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1679 -3.4067 -4.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 -2.2350 -1.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4760 -3.6664 -2.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0543 -1.7464 -2.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7351 -2.3466 -4.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6787 0.1461 -2.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4063 -0.4317 -4.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4446 0.2780 -4.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3067 -0.2589 -5.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8743 1.6348 -5.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0569 2.1624 -3.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 2.4718 -5.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8317 2.0087 -6.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7343 4.5639 -6.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2921 3.7935 -6.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0257 4.1930 -4.8694 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0927 3.8648 5.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3578 4.1094 5.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5899 2.5036 7.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6303 1.4586 6.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2214 2.2164 5.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1713 1.2046 4.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1892 0.5705 7.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0393 -0.4723 6.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6911 -0.6078 4.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8374 0.2499 5.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5136 -2.3517 6.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7116 -1.2960 7.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7280 -3.2849 6.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3832 -1.7973 5.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8451 -3.4640 3.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8169 -1.9902 3.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 -3.2702 5.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0124 -4.6772 5.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3557 -4.7435 3.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0711 -3.2302 2.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2197 -4.4324 2.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4825 -5.9195 2.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6249 -5.8315 1.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2261 -4.2860 0.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3251 -5.6147 -0.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5581 -7.0745 0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1734 -5.3445 -1.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5918 -6.8262 -0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5405 -7.2405 -3.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4842 -8.1221 -1.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1827 -5.4327 -3.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1806 -6.2265 -1.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5296 -8.0681 -4.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4040 -6.6066 -4.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1186 -7.6529 -3.4026 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 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 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 22 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 21 93 1 0 21 94 1 0 22 95 1 6 23 96 1 0 23 97 1 0 27 98 1 0 27 99 1 0 28100 1 0 28101 1 0 29102 1 0 29103 1 0 30104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 45130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 65165 1 0 M END