HMDB0265576 RDKit 3D PA(22:0/PGD2) 138138 0 0 0 0 0 0 0 0999 V2000 5.8239 1.5086 -2.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3391 1.4268 -3.5023 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1254 1.5139 -4.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4686 2.8346 -4.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2612 3.0485 -5.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2743 1.9245 -4.7513 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0251 2.0578 -5.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0992 0.9126 -5.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3024 0.8660 -3.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2484 -0.2944 -3.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5473 -0.1966 -2.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 -1.3162 -1.6298 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6886 -1.1500 -0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5444 -2.2858 0.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7858 -2.1205 1.8754 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6025 -3.3011 2.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9320 -3.2943 3.8126 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8868 -3.2332 4.8192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7880 -4.1816 4.9891 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0981 -5.5975 5.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6446 -6.4629 4.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6898 -6.6702 3.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9105 -6.4223 1.8497 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4357 -7.2006 3.3804 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4271 -7.4698 2.4651 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1185 -6.2920 1.7021 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1674 -6.8782 0.7455 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7055 -5.8915 -0.0646 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8651 -6.5391 -1.0931 P 0 0 0 0 0 5 0 0 0 0 0 0 3.9198 -7.2754 -0.3005 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5775 -5.2691 -1.9699 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 -7.5530 -2.1993 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7279 -5.3204 2.5019 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3576 -3.9992 2.5994 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6354 -3.6409 1.8922 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0697 -3.0358 3.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2543 -1.7780 3.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9785 -0.7915 4.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1376 0.3701 4.8139 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3699 1.6311 4.5357 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6101 2.0841 3.8886 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2616 2.8319 2.5693 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5749 3.2473 1.9692 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6662 2.6455 2.5884 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4566 2.7988 0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 1.6708 0.5438 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5317 0.7628 -0.2391 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5839 1.8802 1.6859 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7124 2.2480 1.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3687 3.3719 1.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6915 3.5670 0.6198 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7371 3.1677 1.4782 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9323 4.9710 0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9005 5.4448 -0.8305 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9174 4.5697 -2.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8666 5.1144 -3.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1685 6.5628 -3.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4488 0.8636 -1.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8852 2.5493 -1.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7552 1.2065 -2.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0161 2.2808 -3.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8786 0.4860 -3.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.6294 -4.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4799 1.4940 -5.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1446 2.8261 -3.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2435 3.6176 -4.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8482 4.0453 -4.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5127 3.0521 -6.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7574 0.9824 -5.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0216 1.9846 -3.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2216 2.2095 -6.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 3.0382 -5.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5105 -0.0544 -5.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 1.1006 -5.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5727 0.8351 -3.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8621 1.7888 -3.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1825 -0.0814 -4.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 -1.2677 -3.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5816 -0.3516 -1.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9977 0.7741 -1.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4113 -1.3255 -2.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9356 -2.2919 -1.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7039 -1.2521 0.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0860 -0.1618 0.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5596 -2.2517 -0.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0276 -3.2371 0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 -2.0332 2.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3564 -1.1867 2.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2336 -4.2483 2.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6035 -3.1682 1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5987 -2.3644 4.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6255 -4.1558 4.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4751 -2.1448 4.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4428 -3.2043 5.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0028 -4.0781 4.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1758 -3.7775 5.8867 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7953 -5.6911 6.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1534 -6.1128 5.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8026 -7.4889 4.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6259 -6.1831 3.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3992 -8.0859 2.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8787 -8.1671 1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7251 -5.9026 1.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6298 -7.5844 0.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9064 -7.4605 1.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9703 -4.9318 -2.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6106 -7.0013 -2.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0952 -2.8373 3.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1504 -3.5638 4.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0131 -1.3988 2.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7098 -2.0790 4.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9793 -0.5871 4.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1444 -1.2935 5.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8399 0.1751 5.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 2.4107 4.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0609 2.8780 4.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3783 1.3373 3.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6589 3.7314 2.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7380 4.3451 2.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8805 3.2188 3.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4512 2.5563 0.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 3.6518 -0.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4405 0.8699 2.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1554 1.4628 0.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9419 4.1273 1.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7522 2.9050 -0.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3258 3.9635 1.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9114 4.9537 -0.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0781 5.6926 0.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8716 5.3809 -0.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1757 6.4611 -1.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8839 4.6245 -2.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6836 3.5220 -1.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1563 5.0903 -2.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8381 4.4972 -3.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2693 6.6668 -3.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7619 7.2728 -2.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7457 6.7626 -4.4217 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 1 0 7 8 1 0 8 9 1 0 9 10 1 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 1 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 2 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 2 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 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 6 70 1 0 7 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 9 76 1 0 10 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 0 25102 1 0 26103 1 6 27104 1 0 27105 1 0 31106 1 0 32107 1 0 36108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 38113 1 0 39114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 1 43119 1 6 44120 1 0 45121 1 0 45122 1 0 48123 1 1 49124 1 0 50125 1 0 51126 1 6 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 57136 1 0 57137 1 0 57138 1 0 M END