HMDB0264021 RDKit 3D PA(18:2(9Z,12Z)/6 keto-PGF1alpha) 125125 0 0 0 0 0 0 0 0999 V2000 18.7679 -1.6682 -1.7388 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7329 -1.0822 -2.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7820 -0.2413 -1.8547 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0579 -1.0264 -0.7802 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1454 -0.0300 -0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3671 -0.6621 0.9988 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0586 -0.6893 0.9813 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2647 -0.0912 -0.1193 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3902 0.9853 0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0871 1.0456 0.3181 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2757 0.0146 -0.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2701 -0.6095 0.6625 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3539 0.4659 1.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5844 1.1741 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6512 0.3155 -0.6597 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9902 1.2134 -1.6883 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2335 2.3458 -1.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1073 1.9687 -0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 2.9435 0.4764 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 0.7504 -0.0636 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 0.3154 0.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1393 0.7069 0.2475 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0280 2.0876 -0.2642 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2895 2.1524 -0.9456 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4786 3.7326 -1.5313 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.9339 4.1221 -1.5492 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7931 3.7555 -3.0838 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5429 4.7567 -0.5711 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 0.3167 1.1300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 -0.5950 0.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8149 -1.0826 -0.3598 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9116 -0.9311 1.7966 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0446 -1.7723 1.2942 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7950 -1.0669 0.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9666 -1.7495 -0.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1297 -2.0093 0.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9809 -2.7594 -0.0436 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4366 -1.5205 1.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9040 -1.8785 2.1377 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.2713 -1.4113 3.5091 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.1665 -1.3661 4.3681 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9398 -0.0696 3.3908 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0764 0.1868 1.9168 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.1023 1.1261 1.5695 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7888 -1.1003 1.2183 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.0421 -1.8292 0.8373 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3248 -2.1083 -0.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5607 -2.8276 -0.8059 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.5156 -4.0506 -0.0916 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8181 -2.1321 -0.4395 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0728 -0.7985 -1.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0986 0.2853 -0.7273 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6333 1.5449 -1.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7378 1.3276 -2.9246 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4228 -2.6791 -1.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7684 -1.7078 -2.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9090 -1.0340 -0.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2214 -0.3970 -3.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1464 -1.8359 -3.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3373 0.5794 -1.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0184 0.2535 -2.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5089 -1.8622 -1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8095 -1.4359 -0.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6410 0.6482 -0.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8956 0.6448 0.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8839 -1.1372 1.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4868 -1.1695 1.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8252 0.3238 -0.9527 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6983 -0.9568 -0.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9229 1.8125 0.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6026 1.9339 0.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6277 0.5067 -1.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8216 -0.7569 -0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7579 -1.4528 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8665 -0.9914 1.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6504 0.0574 1.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9801 1.2048 1.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9133 1.9107 0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1998 1.8224 -0.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -0.4809 -1.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9091 -0.1668 -0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7788 1.6162 -2.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2691 0.6045 -2.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8789 3.1271 -0.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7484 2.8837 -1.9678 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6161 0.7256 1.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5651 -0.8123 0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0624 0.0503 -0.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7123 2.2756 -1.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0219 2.9010 0.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7372 2.8465 -3.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7179 5.6894 -0.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4346 -1.4850 2.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3644 -0.0220 2.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6234 -2.1386 2.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6066 -2.6982 0.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0056 0.0078 0.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0576 -0.9366 -0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6215 -2.7259 -0.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3227 -1.1599 -1.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7948 -1.8325 2.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3629 -0.3948 1.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0692 -2.9535 2.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0352 -2.1135 3.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0747 -2.2712 4.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9585 -0.0467 3.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2896 0.6720 3.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0941 0.5912 1.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4094 2.0510 1.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2465 -0.8419 0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7213 -2.1269 1.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5853 -1.7737 -1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5220 -3.1440 -1.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7907 -3.9406 0.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8837 -2.0719 0.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6976 -2.7837 -0.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2892 -0.9028 -2.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0655 -0.4472 -0.6017 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0598 0.1034 -1.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0868 0.5678 0.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6495 1.7834 -1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0019 2.4155 -1.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6336 2.2949 -3.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9601 0.6273 -3.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7146 0.9044 -3.2320 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 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 22 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 45 39 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 21 86 1 0 21 87 1 0 22 88 1 6 23 89 1 0 23 90 1 0 27 91 1 0 28 92 1 0 32 93 1 0 32 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 38101 1 0 38102 1 0 39103 1 1 40104 1 1 41105 1 0 42106 1 0 42107 1 0 43108 1 1 44109 1 0 45110 1 6 46111 1 0 47112 1 0 48113 1 6 49114 1 0 50115 1 0 50116 1 0 51117 1 0 51118 1 0 52119 1 0 52120 1 0 53121 1 0 53122 1 0 54123 1 0 54124 1 0 54125 1 0 M END