HMDB0010560 RDKit 3D TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z... 169168 0 0 0 0 0 0 0 0999 V2000 -0.2248 3.8749 4.8412 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5258 4.8424 5.7645 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2038 6.2000 5.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0326 7.1242 4.8779 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4836 6.9056 4.8016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9528 7.0592 3.3717 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5140 6.0194 2.8011 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0316 5.9923 1.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8931 7.2430 0.6886 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1876 7.5061 -0.3627 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 6.6081 -1.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1131 5.2472 -0.6605 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3616 4.1114 -1.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 3.9012 -2.6105 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1846 3.1172 -2.5501 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3412 1.9358 -3.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2991 1.2373 -3.9017 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7509 0.9486 -5.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8062 -0.2837 -5.7059 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4489 -1.4719 -4.9159 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 -2.1940 -5.6391 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8877 -3.3958 -4.8792 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3437 -3.5252 -3.7048 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0442 -4.3720 -5.3624 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 -5.5014 -4.6676 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 -5.3333 -3.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3799 -6.7288 -2.8503 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2327 -6.6261 -1.6967 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4737 -7.7711 -0.9837 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9225 -8.8258 -1.3669 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3564 -7.8269 0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2891 -9.2401 0.7518 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2026 -9.3901 1.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9182 -9.7095 3.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6024 -9.9707 3.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9655 -9.1995 4.6592 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4006 -8.1577 5.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6099 -7.4429 5.1442 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7374 -6.0464 4.8004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8532 -5.1522 4.5437 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4001 -5.3932 4.5416 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1063 -4.9175 3.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9371 -3.9201 3.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4070 -3.2156 4.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 -3.2844 4.5205 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5735 -2.1911 4.6213 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0751 -0.8016 4.5637 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7806 -0.1563 3.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5241 0.8876 3.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7550 1.5412 4.8765 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2668 1.4687 5.1673 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4787 -4.7970 -3.7893 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 -3.7213 -3.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3778 -3.2196 -2.2122 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4017 -3.2246 -3.5319 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9401 -2.1894 -2.5711 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3155 -1.7572 -3.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9636 -0.7876 -2.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3572 0.4148 -2.4394 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2092 1.0298 -3.7616 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4344 2.3094 -3.6204 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0066 2.8186 -2.4916 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2373 4.1157 -2.4788 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1211 4.5372 -3.8907 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9986 4.7257 -4.5241 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 4.5631 -3.9338 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9665 3.4590 -4.6409 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4861 2.4110 -4.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5512 2.2378 -2.5695 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2953 1.0610 -2.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8232 0.0646 -1.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5652 0.0119 -0.9548 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1755 -1.2622 -1.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2654 3.8943 3.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 2.8464 5.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2734 4.2118 4.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5731 4.5550 5.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0835 4.6696 6.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 6.4758 5.3188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6604 8.1081 4.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0350 7.6915 5.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7781 5.9409 5.1924 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8414 7.9795 2.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6367 5.0736 3.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8473 5.0579 0.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2024 5.9291 1.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4846 8.1036 1.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2343 8.5682 -0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5529 6.6580 -2.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2779 7.1068 -1.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6363 5.1422 0.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1166 3.1771 -0.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2932 4.9485 -2.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 3.6402 -3.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0367 3.5174 -2.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3151 1.4114 -3.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8440 0.4041 -3.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4406 1.9617 -4.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0212 1.7971 -5.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1449 -0.4512 -6.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3566 -2.1656 -5.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3104 -1.3610 -3.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4982 -1.4936 -5.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7264 -2.5234 -6.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 -6.1854 -4.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0547 -6.1317 -5.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2598 -4.6887 -2.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6267 -7.0496 -2.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8633 -7.4344 -3.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9165 -7.1723 1.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3954 -7.5520 -0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6131 -9.8965 -0.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2167 -9.4153 0.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2831 -9.2038 1.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7716 -9.8483 3.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8341 -10.1257 2.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6377 -11.0630 4.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0844 -9.5686 4.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7155 -7.7779 6.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4623 -7.9765 4.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0742 -7.4704 6.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8097 -5.6347 4.7425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1873 -4.0815 4.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 -6.4859 4.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0989 -4.8975 5.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -5.4227 2.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3261 -3.5600 2.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8963 -3.4591 5.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1103 -2.1190 4.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3096 -4.2885 4.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6557 -2.3029 4.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0126 -0.6361 4.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3710 -0.3618 5.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6197 -0.6325 2.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0266 1.3253 2.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1646 1.2473 5.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5229 2.6585 4.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5128 1.9993 6.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7462 1.9863 4.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5971 0.4198 5.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2736 -2.6972 -4.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1512 -4.0123 -3.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9761 -2.5054 -1.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2565 -1.2948 -2.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2216 -1.3466 -4.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9333 -2.6863 -3.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1454 -1.1110 -1.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8362 1.0119 -1.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7010 0.3979 -4.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2186 1.2507 -4.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2302 2.8104 -4.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1807 2.3467 -1.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3064 4.0331 -1.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8701 4.8942 -1.9701 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0884 4.7138 -4.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0979 5.0305 -5.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0102 5.4900 -4.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6637 4.4977 -2.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9014 3.5693 -5.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0071 1.6090 -4.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9331 3.1159 -2.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5134 2.1653 -2.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3484 0.9991 -2.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5001 -0.7741 -1.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 0.8111 -1.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6011 -0.1910 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7677 -1.3391 -2.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2926 -1.1714 -1.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8536 -2.1549 -1.0191 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 3 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 3 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 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 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 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 26 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 2 3 62 63 1 0 63 64 1 0 64 65 2 0 65 66 1 0 66 67 1 0 67 68 2 0 68 69 1 0 69 70 1 0 70 71 2 0 71 72 1 0 72 73 1 0 1 74 1 0 1 75 1 0 1 76 1 0 2 77 1 0 2 78 1 0 3 79 1 0 4 80 1 0 5 81 1 0 5 82 1 0 6 83 1 0 7 84 1 0 8 85 1 0 8 86 1 0 9 87 1 0 10 88 1 0 11 89 1 0 11 90 1 0 12 91 1 0 13 92 1 0 14 93 1 0 14 94 1 0 15 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 18 99 1 0 19100 1 0 20101 1 0 20102 1 0 21103 1 0 21104 1 0 25105 1 0 25106 1 0 26107 1 0 27108 1 0 27109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 46131 1 0 47132 1 0 47133 1 0 48134 1 0 49135 1 0 50136 1 0 50137 1 0 51138 1 0 51139 1 0 51140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 58147 1 0 59148 1 0 60149 1 0 60150 1 0 61151 1 0 62152 1 0 63153 1 0 63154 1 0 64155 1 0 65156 1 0 66157 1 0 66158 1 0 67159 1 0 68160 1 0 69161 1 0 69162 1 0 70163 1 0 71164 1 0 72165 1 0 72166 1 0 73167 1 0 73168 1 0 73169 1 0 M END