HMDB0292349 RDKit 3D CDP-DG(22:3(10Z,13Z,16Z)/PGD2) 167169 0 0 0 0 0 0 0 0999 V2000 16.3356 5.8809 -0.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9497 5.6648 0.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1554 4.7149 1.5669 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0135 3.3428 0.9314 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3508 2.7192 0.6705 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2178 1.3164 0.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4491 1.4339 -1.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3121 0.8264 -1.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7005 -0.0615 -0.4174 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6055 -1.4359 -0.9405 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4918 -2.1049 -1.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1489 -1.6922 -0.6641 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2649 -1.8446 -1.8602 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2662 -2.7192 -1.7866 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0352 -3.5076 -0.5969 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7210 -3.3599 0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2469 -2.0216 0.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9504 -1.0559 -0.6628 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8764 -1.6561 -1.5767 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -1.9456 -0.8191 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6029 -2.5957 -1.7433 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3449 -2.9070 -0.9617 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7335 -1.6522 -0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0255 -0.5782 -1.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8416 -1.6686 0.5402 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2197 -0.4837 0.9844 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 0.0234 -0.0766 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3125 1.3846 0.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8436 1.8929 -0.9530 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4034 1.3709 -1.2842 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.2569 1.2917 -0.0419 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1771 2.4992 -2.3055 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3237 -0.0684 -2.1142 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7514 -0.6050 -2.7769 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.2465 0.4136 -3.7778 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5707 -2.0816 -3.5865 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9190 -0.7261 -1.5573 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7337 -1.8441 -1.7418 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0952 -1.6192 -1.1165 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.9234 -1.5844 0.2375 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0301 -1.6188 1.0228 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.7875 -2.8275 1.0514 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.1343 -2.7879 1.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9281 -3.9136 1.3126 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3539 -5.1622 1.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1486 -6.3431 1.1981 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.0355 -5.1786 0.9480 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2675 -4.0595 0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0532 -4.1741 0.7012 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6372 -1.1171 2.4047 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2421 -1.5069 2.7168 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2813 -0.4581 3.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0072 -0.4696 2.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3802 -1.6785 1.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9292 -1.6841 2.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 -2.6118 1.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8636 -2.1997 0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8534 -3.1601 -0.6876 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6916 -0.9427 -0.3073 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0437 0.2773 2.6969 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.8481 0.4678 4.0852 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4653 1.3883 1.9317 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3337 2.0325 0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1681 2.8692 1.3162 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3397 1.8053 -0.5348 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.7112 1.4783 -0.9975 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7232 1.1530 -0.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0943 0.8327 -0.7611 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.9246 0.5103 0.2898 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5959 2.0691 -1.4509 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6810 3.2277 -0.4749 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1909 4.4120 -1.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3166 5.6480 -0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2586 5.4658 0.7565 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2969 0.8937 -1.0627 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5372 1.6084 -2.0252 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7564 -0.3658 -1.6959 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.1160 -0.6122 -1.6611 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3512 6.3566 -0.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2935 4.9271 -1.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0070 6.5692 -1.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0134 5.3376 0.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9543 6.6480 1.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6662 4.5954 2.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1329 5.1302 1.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4517 3.4454 -0.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3986 2.7216 1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9261 2.6454 1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9383 3.3895 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8005 0.7016 0.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2626 0.9712 -0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8260 2.0737 -2.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8055 0.9604 -2.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2311 -0.1175 0.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6762 0.3902 -0.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5726 -1.8884 -1.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5912 -3.1322 -1.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7435 -2.0443 0.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1627 -0.5479 -0.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4456 -1.2544 -2.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6178 -2.8362 -2.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0286 -4.6170 -1.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8777 -3.6110 0.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9676 -3.9107 -0.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7188 -3.9911 1.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3911 -2.0533 1.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0719 -1.5392 1.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7698 -0.7254 -1.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4529 -0.1746 -0.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6278 -0.8153 -2.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2147 -2.4956 -2.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1689 -1.0200 -0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7955 -2.5932 0.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0233 -3.4991 -2.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3519 -1.8592 -2.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6637 -3.4160 -1.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5635 -3.6078 -0.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8012 -0.5982 1.9761 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0723 0.2588 1.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8513 0.1565 -1.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0820 1.3070 1.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4941 2.0184 0.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5452 3.1269 -2.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9356 -2.7870 -2.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8214 -2.0190 -2.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2370 -2.7057 -1.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7027 -2.5253 -1.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7327 -0.8244 0.6337 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6047 -1.8309 1.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9840 -3.8031 1.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0536 -6.3113 1.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8840 -7.2290 0.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2922 -1.7457 3.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1570 -2.2611 3.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8046 -2.0701 1.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5704 0.3811 3.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3944 0.4180 2.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4311 -1.5193 0.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8963 -2.6197 2.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8896 -1.9601 3.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5327 -0.6567 2.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1017 -2.7972 2.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5866 -3.6179 1.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1652 0.3119 2.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0661 1.4224 4.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4312 1.2242 1.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2700 2.2217 2.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1678 2.8566 -0.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9399 1.5045 -2.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5586 1.1128 0.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0530 -0.0416 -1.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7044 0.9818 1.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8569 2.3428 -2.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5858 1.8732 -1.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4258 2.9925 0.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7063 3.4863 -0.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4739 4.6302 -2.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1737 4.1808 -1.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7511 6.4501 -1.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3421 6.0110 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2429 5.1012 0.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7905 4.8349 1.5465 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3992 6.4682 1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5208 0.5866 -0.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0663 1.7209 -2.8594 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4721 -0.4099 -2.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4768 -0.9852 -2.4885 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 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 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 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 34 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 2 0 44 45 1 0 45 46 1 0 45 47 2 0 47 48 1 0 48 49 2 0 41 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 2 0 57 59 1 0 50 60 1 0 60 61 1 0 60 62 1 0 62 63 1 0 63 64 2 0 63 65 1 0 65 66 1 0 66 67 2 0 67 68 1 0 68 69 1 0 68 70 1 0 70 71 1 0 71 72 1 0 72 73 1 0 73 74 1 0 65 75 1 0 75 76 1 0 75 77 1 0 77 78 1 0 59 27 1 0 77 39 1 0 48 42 1 0 1 79 1 0 1 80 1 0 1 81 1 0 2 82 1 0 2 83 1 0 3 84 1 0 3 85 1 0 4 86 1 0 4 87 1 0 5 88 1 0 5 89 1 0 6 90 1 0 6 91 1 0 7 92 1 0 8 93 1 0 9 94 1 0 9 95 1 0 10 96 1 0 11 97 1 0 12 98 1 0 12 99 1 0 13100 1 0 14101 1 0 15102 1 0 15103 1 0 16104 1 0 16105 1 0 17106 1 0 17107 1 0 18108 1 0 18109 1 0 19110 1 0 19111 1 0 20112 1 0 20113 1 0 21114 1 0 21115 1 0 22116 1 0 22117 1 0 26118 1 0 26119 1 0 27120 1 6 28121 1 0 28122 1 0 32123 1 0 36124 1 0 38125 1 0 38126 1 0 39127 1 1 41128 1 6 43129 1 0 44130 1 0 46131 1 0 46132 1 0 50133 1 1 51134 1 0 51135 1 0 52136 1 0 53137 1 0 54138 1 0 54139 1 0 55140 1 0 55141 1 0 56142 1 0 56143 1 0 60144 1 1 61145 1 0 62146 1 0 62147 1 0 65148 1 6 66149 1 0 67150 1 0 68151 1 6 69152 1 0 70153 1 0 70154 1 0 71155 1 0 71156 1 0 72157 1 0 72158 1 0 73159 1 0 73160 1 0 74161 1 0 74162 1 0 74163 1 0 75164 1 1 76165 1 0 77166 1 6 78167 1 0 M END