HMDB0266269 RDKit 3D PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/PGF1alpha) 130130 0 0 0 0 0 0 0 0999 V2000 14.8492 3.2815 0.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9068 2.5932 1.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5096 2.8895 0.7687 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5239 2.1246 0.4482 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4848 0.7005 0.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7534 -0.0086 0.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9746 -0.9389 1.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9765 -1.4163 2.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7930 -2.8643 2.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6382 -3.3822 1.7243 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3862 -2.6170 1.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8646 -2.6988 0.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6793 -3.2150 -0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7074 -3.7682 0.8449 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3761 -3.2043 1.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8795 -2.1434 0.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6052 -1.2484 -0.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0512 -1.1588 -1.8096 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6566 -0.0482 -2.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7190 1.2508 -1.7196 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3106 1.8121 -1.6466 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3579 0.9357 -0.9437 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9047 -0.0902 -1.5718 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9064 1.1268 0.3399 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 0.2905 1.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3352 0.4099 0.2449 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7026 1.8933 0.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3256 2.6625 -0.2414 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0745 4.2887 -0.1937 P 0 0 0 0 0 5 0 0 0 0 0 0 1.1893 5.0778 -0.5455 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5891 4.6837 1.3666 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2795 4.6864 -1.3028 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3823 -0.3845 0.7827 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9986 -1.3131 -0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5593 -1.3890 -1.2394 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1170 -2.2059 0.3892 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4965 -3.0624 -0.7985 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6289 -3.9833 -0.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9566 -3.5085 -0.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7131 -2.5464 -1.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1212 -1.2076 -1.1494 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8444 -0.1978 -1.9869 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.0101 -0.5482 -3.4303 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.7556 -1.6794 -3.6724 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9004 0.6251 -3.8935 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7518 0.9511 -2.6573 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.0828 0.6342 -3.0111 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2784 0.0429 -1.5881 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.5013 0.4242 -0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0678 1.5614 0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2975 1.9520 1.5657 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.0522 3.0976 1.6287 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8720 0.8076 2.3818 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1852 0.3220 1.8571 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2660 1.3487 1.8465 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5771 1.8883 3.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6810 2.9120 3.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7088 2.8301 -0.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6493 4.3682 0.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8705 3.0855 0.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1239 3.1944 2.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2115 1.5969 1.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2659 4.0022 0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5349 2.6505 0.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0616 0.4701 -0.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6643 0.2327 0.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5792 0.2421 -0.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9983 -1.3870 1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0906 -0.8295 2.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4678 -1.3567 3.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6914 -3.5291 2.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5785 -4.4896 1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5440 -1.5578 1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6056 -2.9807 2.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 -2.3207 -0.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4316 -3.2273 -1.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1561 -4.0412 1.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4773 -4.8651 0.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 -3.7943 1.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8103 -1.9190 0.7367 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2726 -0.1990 0.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6753 -1.1896 -0.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9416 -2.0657 -2.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2499 -0.0414 -3.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2970 1.3437 -0.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2759 1.9839 -2.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9439 2.0057 -2.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3642 2.8170 -1.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3026 -0.7686 1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 0.6545 2.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1714 0.1563 -0.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 2.0905 -0.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9105 2.2537 1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4555 4.2323 1.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1755 4.1554 -2.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7785 -2.8889 1.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9962 -1.6315 0.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5778 -3.7984 -0.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4452 -2.5509 -1.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7665 -4.5214 -1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2668 -4.7865 0.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8188 -3.0379 0.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5898 -4.4187 0.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7395 -2.4567 -0.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9004 -3.0463 -2.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0768 -1.1891 -1.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0779 -0.7617 -0.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2705 0.7472 -1.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0521 -0.5435 -3.9861 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5026 -2.1529 -4.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1962 1.4362 -4.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4874 0.3766 -4.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6139 2.0213 -2.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2363 -0.3046 -2.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8213 -0.9392 -1.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1770 -0.2772 0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3727 2.2352 -0.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2988 2.1720 2.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2116 3.5465 0.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9116 1.1584 3.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1475 -0.0173 2.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0233 -0.0065 0.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5161 -0.5267 2.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1295 2.1607 1.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1977 0.8075 1.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9347 1.0494 3.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7347 2.3503 3.7338 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4125 3.8546 3.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6488 2.5084 3.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8703 3.1823 2.0024 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 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 29 32 1 0 26 33 1 0 33 34 1 0 34 35 2 0 34 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 43 45 1 0 45 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 48 42 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 25 89 1 0 25 90 1 0 26 91 1 6 27 92 1 0 27 93 1 0 31 94 1 0 32 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 6 43109 1 6 44110 1 0 45111 1 0 45112 1 0 46113 1 1 47114 1 0 48115 1 6 49116 1 0 50117 1 0 51118 1 1 52119 1 0 53120 1 0 53121 1 0 54122 1 0 54123 1 0 55124 1 0 55125 1 0 56126 1 0 56127 1 0 57128 1 0 57129 1 0 57130 1 0 M END