HMDB0300181 RDKit 3D DG(20:3(5Z,11Z,14Z)-O(8,9)/0:0/i-21:0) 128128 0 0 0 0 0 0 0 0999 V2000 -14.4564 1.7443 3.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1760 0.6193 2.7057 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2865 1.1660 1.8728 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0833 0.1524 1.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2989 -0.6626 0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7300 0.2457 -0.8965 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4679 0.4214 -1.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4066 -0.3512 -0.4942 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6198 -1.1688 -1.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3411 -1.0153 -1.6362 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5185 -0.0232 -0.9391 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9108 0.9095 -1.9698 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0853 1.9416 -1.6125 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4776 0.8504 -2.3467 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4395 0.1356 -1.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1560 0.3085 -2.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4153 -0.6786 -2.6771 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7032 -2.0904 -2.5483 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7623 -2.9841 -1.8551 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4144 -2.8083 -0.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7281 -1.5876 -0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3013 -1.5625 1.1772 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4889 -0.4836 -0.7714 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8388 0.6953 -0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3817 0.3928 -0.1411 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8821 -0.1748 -1.3392 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6126 1.6671 0.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7565 1.4465 0.2203 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4252 0.6423 1.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7593 0.0039 1.9459 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9421 0.5293 1.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4295 -0.4116 2.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8970 -0.6687 2.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5592 -1.3026 1.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6613 -0.8769 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2919 0.2749 -0.9286 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0001 1.6855 -0.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2388 2.2574 0.6285 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6746 2.0421 1.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5931 2.7086 0.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0300 2.5198 0.5763 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3895 1.0751 0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7943 0.9156 1.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7574 1.5941 0.2239 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1542 1.3792 0.7673 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5494 -0.0646 0.8644 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5287 -0.7732 -0.4575 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9432 -2.2231 -0.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9069 -2.8944 -1.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3635 -2.2627 0.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1525 2.5626 3.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6743 2.1641 2.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9585 1.3563 4.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5655 -0.0635 3.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4147 0.0385 2.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9938 1.6732 2.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9597 1.9827 1.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9420 0.6046 0.5795 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5760 -0.5549 1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6633 -1.4052 0.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0849 -1.2685 -0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4303 0.8821 -1.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1857 1.1441 -1.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8206 0.2788 0.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8630 -1.1248 0.2055 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1690 -1.9568 -2.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8794 -1.7055 -2.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7234 -0.4919 -0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0937 0.6064 -0.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6096 1.1529 -2.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2006 1.1142 -3.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3745 0.6830 -0.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7865 -0.8851 -1.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8219 1.3296 -2.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4937 -0.3648 -3.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7585 -2.4936 -3.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7288 -2.3252 -2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7976 -3.1226 -2.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2047 -4.0425 -1.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2791 -3.0500 0.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6853 -3.6558 -0.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2563 1.1870 0.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8478 1.3923 -1.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3292 -0.3630 0.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8579 -1.1645 -1.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0393 2.2633 0.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7626 2.2935 -0.8058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2468 1.5905 1.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2809 0.3959 0.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0649 -0.0380 3.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8672 -1.3982 1.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0041 -1.4520 3.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4089 0.1995 2.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6415 -1.5405 1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1463 -2.4071 1.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6711 -1.0715 -0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2508 -1.8080 -0.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4564 0.1043 -0.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2855 0.1176 -2.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9336 1.9475 -1.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5972 2.3338 -1.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0776 3.4135 0.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5062 1.9392 1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8382 2.3774 2.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8003 0.9292 1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4932 2.2524 -0.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3787 3.7940 0.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6670 3.0464 -0.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1157 3.0061 1.5661 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2412 0.6437 -0.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7407 0.4866 1.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8194 1.3843 2.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0113 -0.1590 1.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5830 2.7036 0.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6995 1.1553 -0.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9058 1.9638 0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2137 1.7789 1.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9530 -0.6277 1.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6132 -0.0539 1.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2546 -0.3040 -1.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5356 -0.6702 -0.9187 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3107 -2.7954 0.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7227 -2.4771 -2.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9092 -2.6572 -2.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0166 -3.9841 -1.5206 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8040 -3.2340 -0.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9578 -1.3968 -0.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2976 -2.2745 1.3290 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 1 0 13 14 1 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 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 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 14 12 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 14 71 1 0 15 72 1 0 15 73 1 0 16 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 20 80 1 0 20 81 1 0 24 82 1 0 24 83 1 0 25 84 1 1 26 85 1 0 27 86 1 0 27 87 1 0 31 88 1 0 31 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 49123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 50128 1 0 M END