HMDB0264231 RDKit 3D PA(PGF2alpha/18:3(9Z,12Z,15Z)) 122122 0 0 0 0 0 0 0 0999 V2000 17.0211 0.3833 1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9603 -0.2988 0.4295 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3315 -0.1552 -0.9591 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7081 0.4423 -1.9237 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4553 1.1539 -1.9104 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7682 1.3134 -0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5842 0.8074 -0.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8181 0.0247 -1.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5619 0.7748 -1.6306 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3746 0.2829 -1.4301 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1640 -1.0984 -0.9522 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4631 -1.1878 0.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1135 -0.5368 0.4024 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1474 -1.1040 -0.5831 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7890 -0.3925 -0.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8985 -1.0317 -1.5482 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5147 -0.3608 -1.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8789 -0.5649 -0.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8157 -1.7392 0.2849 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3202 0.4489 0.5986 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7148 0.1267 1.8433 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5869 0.8690 1.9433 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4781 0.6062 0.8952 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9648 -0.6294 0.5343 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5994 -1.6357 1.1786 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9208 -0.7124 -0.6313 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2117 -2.1282 -0.9823 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1535 -2.3788 -2.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5521 -2.0149 -1.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0703 -1.5282 -0.8149 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5311 -1.1814 -0.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7910 0.2508 -0.4389 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.2149 1.2307 -1.4408 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.6257 0.9092 -2.7445 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9543 2.4926 -1.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3698 2.0268 -0.8465 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.0928 2.2069 -2.0316 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2708 0.5864 -0.4584 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.8802 0.3923 0.8826 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8816 -0.4635 1.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5372 -0.7185 2.3754 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.5843 0.4696 3.1636 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.8791 -1.2852 2.2982 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0224 -0.6186 1.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2255 -0.1136 0.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4780 1.0217 -0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0312 1.2720 -1.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6321 0.7699 2.9128 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8709 0.1699 2.7302 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0014 0.7442 3.8295 P 0 0 0 0 0 5 0 0 0 0 0 0 3.3031 0.8559 5.1884 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3332 -0.3195 3.9305 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5068 2.2752 3.3249 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6010 0.6152 2.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8974 -0.2510 1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3134 1.3580 0.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1140 -1.4167 0.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9752 -0.0916 0.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3214 -0.6464 -1.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2215 0.4044 -2.9398 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7691 0.8319 -2.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6693 2.2512 -2.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2648 1.9330 0.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1243 0.9582 0.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6427 -0.9633 -0.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3342 -0.2473 -2.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6806 1.8200 -1.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4593 0.9175 -1.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9985 -1.7811 -1.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4018 -1.5248 -1.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0839 -0.7857 1.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2831 -2.2810 0.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2204 0.5685 0.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6972 -0.6962 1.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5108 -0.8769 -1.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9166 -2.1717 -0.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3768 -0.6669 0.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8660 0.6851 -0.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2727 -0.8998 -2.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7555 -2.1013 -1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9457 -0.8697 -2.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5765 0.6985 -1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6827 -0.9373 2.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3638 1.9564 2.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 0.6206 2.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3651 -0.2404 -1.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7457 -0.0390 -0.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2206 -2.5813 -1.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5257 -2.7391 -0.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7779 -1.8247 -3.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0508 -3.4610 -2.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2010 -2.1720 -2.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4420 -1.4044 0.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0170 -1.4445 -1.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0142 -1.8154 0.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4178 0.5384 0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1179 1.3473 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2881 1.6235 -3.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5184 2.9300 -0.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9788 3.2427 -1.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8732 2.6186 -0.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6989 1.4444 -2.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7223 -0.0880 -1.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5205 0.9505 1.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1987 -0.9995 0.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8304 -1.3671 2.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0774 1.1287 2.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1691 -1.5154 3.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8292 -2.3886 1.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9870 -1.2694 1.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3483 0.2796 2.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3402 0.2053 0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2471 -0.9664 -0.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4244 1.0022 -0.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7238 1.9903 0.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7805 2.3126 -1.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0987 1.0437 -1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4462 0.5795 -2.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6892 1.8392 2.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2059 0.5770 3.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0723 -1.1959 3.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3001 2.2281 2.7308 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 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 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 21 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 38 32 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 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 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 1 22 84 1 0 22 85 1 0 26 86 1 0 26 87 1 0 27 88 1 0 27 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 1 33 97 1 6 34 98 1 0 35 99 1 0 35100 1 0 36101 1 1 37102 1 0 38103 1 6 39104 1 0 40105 1 0 41106 1 1 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 52121 1 0 53122 1 0 M END