HMDB0010664 RDKit 3D PG(18:3(6Z,9Z,12Z)/18:1(9Z)) 128127 0 0 0 0 0 0 0 0999 V2000 -11.3502 -1.6312 -3.5191 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7759 -2.9478 -2.8993 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9683 -3.1905 -1.6517 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3601 -4.4937 -0.9985 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4977 -4.6989 0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1048 -4.7316 -0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1137 -3.9775 0.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1126 -2.8538 1.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2961 -2.4786 1.8917 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9160 -1.3314 1.7235 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5156 -0.2786 0.7807 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2246 0.9374 1.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0708 1.5360 1.5719 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9202 1.0802 0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7382 0.7446 1.6921 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2939 1.9416 2.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8670 3.0987 1.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7116 2.6813 0.8072 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4471 3.3638 -0.1972 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9707 1.6158 1.1131 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8687 0.9908 0.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 1.7159 0.7205 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4975 3.0000 -0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7447 2.8971 -1.3701 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6686 4.3036 -2.2396 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.6071 4.2203 -3.4479 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8949 4.4586 -2.8930 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0339 5.6826 -1.4038 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0425 6.3470 -0.8707 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3223 7.5873 -0.1178 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9710 8.5372 -0.8649 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2403 7.2507 1.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6747 6.2922 1.8807 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4206 0.8061 0.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4339 0.3012 1.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3405 0.7115 2.2273 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4711 -0.6024 0.5278 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5147 -0.8814 1.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2266 0.3217 2.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9308 1.1661 1.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0484 0.6499 0.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5617 1.7622 -0.6088 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7161 1.3081 -1.4339 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3783 0.1519 -2.2697 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9595 -1.0203 -2.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0727 -1.3399 -1.3527 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7062 -2.5160 -0.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8542 -2.7910 0.4664 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1474 -3.1170 -0.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1820 -3.3689 0.8132 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5049 -3.6756 0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4160 -4.9024 -0.6566 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8151 -5.1512 -1.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2025 -1.1298 -4.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9673 -0.9305 -2.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5483 -1.7814 -4.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6424 -3.7481 -3.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8602 -2.8453 -2.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9009 -3.1991 -1.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0951 -2.3256 -0.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4068 -4.4792 -0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1388 -5.3373 -1.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7899 -5.7225 0.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8105 -3.9993 1.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8575 -5.5628 -0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1223 -4.2491 -0.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2500 -3.0346 1.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6713 -1.9500 0.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6884 -3.1681 2.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8180 -1.1255 2.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8070 -0.5366 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4647 0.0300 0.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0256 1.3733 2.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9435 2.4502 2.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0454 0.2597 0.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6043 1.9597 0.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0730 -0.0211 2.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9231 0.3721 1.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3832 1.6156 3.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0297 2.2319 3.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4954 3.9103 2.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6548 3.5239 1.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0347 0.6853 -0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 -0.0094 1.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3863 1.8895 1.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6432 3.2551 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 3.8220 0.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5447 4.7988 -2.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8267 6.6163 -1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 5.6449 -0.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5833 8.0574 0.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9436 8.2412 -1.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3748 8.1768 1.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2220 6.8619 0.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5735 6.5356 2.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8972 -0.2950 -0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9485 -1.5806 0.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1962 -1.7126 1.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -1.3075 2.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9480 -0.0837 2.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5285 0.9264 2.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3282 2.0636 1.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2030 1.6532 0.4053 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9494 0.3790 0.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8481 -0.2143 -0.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7216 2.1560 -1.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9004 2.5995 0.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6051 1.1920 -0.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9289 2.1607 -2.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5502 0.2868 -2.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5935 -1.7870 -2.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4189 -0.5449 -0.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9493 -1.6585 -1.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8327 -2.2563 0.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4782 -3.4194 -1.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6209 -3.6000 1.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0316 -1.8660 1.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5070 -2.2487 -0.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9403 -3.9621 -0.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8520 -4.2459 1.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1812 -2.5080 1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2978 -3.7776 0.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7977 -2.8130 -0.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6904 -4.7694 -1.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1557 -5.7951 -0.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5132 -5.1393 -0.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0516 -4.3287 -1.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8071 -6.1416 -1.7128 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 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 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 22 34 1 0 34 35 1 0 35 36 2 0 35 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 2 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 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 21 83 1 0 21 84 1 0 22 85 1 1 23 86 1 0 23 87 1 0 27 88 1 0 29 89 1 0 29 90 1 0 30 91 1 1 31 92 1 0 32 93 1 0 32 94 1 0 33 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 45111 1 0 46112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 49119 1 0 50120 1 0 50121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 53126 1 0 53127 1 0 53128 1 0 M END