HMDB0271367 RDKit 3D PG(20:4(6E,8Z,11Z,14Z)-OH(5S)/i-15:0) 126125 0 0 0 0 0 0 0 0999 V2000 8.2699 -1.7721 3.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5233 -1.2150 4.6827 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2089 -0.6309 4.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4257 -0.0509 5.4527 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1124 0.5079 4.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3300 1.0577 6.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9324 2.3108 6.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2132 3.3384 5.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2246 4.0142 4.4416 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9533 3.8287 4.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1482 2.8281 5.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9080 3.5195 5.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1989 3.3415 5.6172 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6014 2.4360 4.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9012 2.1976 4.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1757 1.2375 3.1448 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4839 0.8386 3.0673 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5709 1.7907 1.8923 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0929 3.0884 1.4102 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5331 3.0313 0.9241 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6271 2.0920 -0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6734 0.8624 0.0539 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6598 2.4509 -1.5570 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7007 1.4037 -2.5691 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3681 0.6878 -2.4654 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2574 1.7272 -2.8315 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3769 2.8172 -2.0079 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2671 4.0318 -2.2304 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.8406 5.2955 -1.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8024 3.7174 -1.4316 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9864 4.4365 -3.8440 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6179 4.3673 -4.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4378 4.7598 -5.5855 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9581 6.0729 -5.6822 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0282 4.7683 -5.9727 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0687 5.2442 -7.2925 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2198 -0.3928 -3.3452 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9186 -1.6355 -2.7624 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8289 -1.7195 -1.5158 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7082 -2.8077 -3.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3284 -4.0454 -2.8327 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0645 -3.8942 -2.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7314 -5.1434 -1.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5071 -4.8624 -0.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1277 -6.0903 0.3696 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3762 -7.2546 -0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7050 -7.1490 -1.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0992 -6.1255 -1.9868 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3822 -6.0141 -3.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5037 -7.2926 -4.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8271 -7.2363 -5.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3913 -6.1422 -6.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6522 -7.0587 -5.2637 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9430 -2.8295 3.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0798 -1.1962 2.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3577 -1.8163 3.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3737 -2.0832 5.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1898 -0.4990 5.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5762 -1.4376 3.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3513 0.1638 3.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2241 -0.9171 6.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0149 0.6796 6.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3327 1.2291 4.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5589 -0.3842 4.4996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0378 0.3967 6.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3765 2.6239 7.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7194 4.1951 5.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1226 3.0831 4.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6284 4.8463 3.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4126 4.4973 3.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 2.1020 4.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7208 2.2504 5.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 4.1821 6.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9189 3.8754 6.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8840 1.9177 3.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6294 2.6946 4.8596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5627 0.3040 3.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6371 -0.1415 3.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6328 0.9789 1.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4827 1.9022 2.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4736 3.4588 0.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0200 3.8507 2.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7792 4.0358 0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2582 2.7959 1.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8288 1.8137 -3.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5362 0.7236 -2.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1816 0.3439 -1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3266 1.1635 -2.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5120 2.0464 -3.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4251 4.5615 -1.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0953 5.0889 -3.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2221 3.3518 -3.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9924 4.1413 -6.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7429 6.0974 -5.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6413 5.4186 -5.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 3.7313 -6.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9627 5.0900 -7.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9493 -2.6374 -4.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6631 -3.0246 -4.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1941 -4.9155 -3.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1460 -4.3502 -2.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2518 -3.7269 -2.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0830 -3.0415 -1.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5066 -5.9677 -1.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5558 -5.3735 -0.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 -4.1197 0.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2952 -4.4556 -0.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9943 -6.4088 1.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6845 -5.8047 1.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 -8.1125 0.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4196 -7.6219 -1.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0534 -8.1732 -1.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4390 -7.0374 -0.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 -5.1209 -1.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1831 -6.4482 -2.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3693 -5.5936 -3.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9733 -5.2543 -3.8959 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1789 -8.1457 -3.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6089 -7.4410 -4.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0133 -8.2112 -5.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6833 -5.2992 -6.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3494 -5.7424 -5.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6534 -6.5501 -7.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9885 -7.4508 -4.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 -5.9651 -5.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1849 -7.5965 -6.1001 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 2 0 15 16 1 0 16 17 1 0 16 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 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 25 37 1 0 37 38 1 0 38 39 2 0 38 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 51 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 15 76 1 0 16 77 1 1 17 78 1 0 18 79 1 0 18 80 1 0 19 81 1 0 19 82 1 0 20 83 1 0 20 84 1 0 24 85 1 0 24 86 1 0 25 87 1 1 26 88 1 0 26 89 1 0 30 90 1 0 32 91 1 0 32 92 1 0 33 93 1 6 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 40 98 1 0 40 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 43104 1 0 43105 1 0 44106 1 0 44107 1 0 45108 1 0 45109 1 0 46110 1 0 46111 1 0 47112 1 0 47113 1 0 48114 1 0 48115 1 0 49116 1 0 49117 1 0 50118 1 0 50119 1 0 51120 1 0 52121 1 0 52122 1 0 52123 1 0 53124 1 0 53125 1 0 53126 1 0 M END