HMDB0296287 RDKit 3D DG(20:0/6 keto-PGF1alpha/0:0) 130130 0 0 0 0 0 0 0 0999 V2000 14.9012 2.5589 2.2411 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2767 2.5015 0.7898 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3513 1.5724 0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9384 2.0431 0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9802 1.1918 -0.6719 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9127 -0.2496 -0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4808 -0.3178 1.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3150 -1.6784 1.7331 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1903 -2.5525 1.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6641 -2.8277 0.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8565 -1.7492 -0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4335 -2.1244 -1.9615 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5805 -3.3444 -2.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2824 -3.2731 -1.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4241 -2.1469 -1.7736 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0936 -2.0248 -1.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0673 -1.8164 0.3457 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7581 -0.6044 0.8592 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3047 0.7057 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8764 0.9411 0.6443 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1336 0.1566 1.2667 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2695 2.1324 0.2196 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9398 2.4250 0.4546 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0327 1.4781 -0.1783 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2322 1.3183 -1.6702 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0287 2.4960 -2.3670 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3381 1.8750 0.0814 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3193 1.1488 0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9981 0.0151 1.1445 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6485 1.7761 0.8948 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6585 0.8979 1.5308 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9589 -0.3815 0.8236 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4300 -0.2613 -0.5748 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6783 0.5303 -0.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2104 1.0031 0.2089 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2656 0.7452 -2.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5902 1.3970 -2.0138 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.1160 1.6813 -3.4641 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.1458 0.4704 -4.1492 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5565 2.0692 -3.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9045 1.4560 -1.8256 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.1268 0.8079 -1.8517 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7427 0.5043 -1.6115 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.7183 -0.1233 -0.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6499 0.1196 0.6432 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6368 -0.5160 1.9759 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.7045 0.4388 3.0022 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8889 -1.3999 2.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1384 -0.5505 1.8862 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3302 -1.4718 1.9767 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6315 -0.7137 1.8089 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6712 -0.0244 0.4623 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3958 3.5277 2.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1225 1.7836 2.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7882 2.4027 2.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2946 2.1014 0.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2033 3.5090 0.3272 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6988 1.5820 -1.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4806 0.5587 0.4293 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8718 3.0738 -0.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5716 2.1335 1.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2445 1.2230 -1.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9626 1.6466 -0.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0295 -0.6026 -0.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4359 -0.9185 -0.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2709 0.2520 1.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5622 0.3286 1.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3006 -2.2739 1.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3519 -1.5973 2.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3101 -2.2790 2.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4723 -3.5876 1.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5229 -3.1043 -0.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9841 -3.7389 0.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2375 -0.7334 -0.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8471 -1.7507 0.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3674 -2.3494 -2.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9182 -1.2341 -2.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3006 -3.5752 -3.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -4.2568 -1.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4704 -3.2156 -0.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7372 -4.2166 -1.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0187 -1.2063 -1.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2370 -2.3191 -2.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4326 -1.2712 -1.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5456 -2.9974 -1.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5891 -2.6971 0.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0147 -1.8288 0.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5441 -0.5868 1.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8774 -0.7159 0.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 0.8196 -0.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 1.4976 0.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6751 2.5016 1.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7501 3.4606 0.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1014 0.4626 0.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4184 0.5120 -2.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2887 1.0212 -1.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7089 2.3610 -3.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0091 2.2308 -0.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5141 2.6592 1.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2315 0.5962 2.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5702 1.4704 1.7965 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0313 -1.0010 0.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6614 -0.9556 1.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5934 0.1119 -1.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6604 -1.2831 -0.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5237 1.3201 -2.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3184 -0.2793 -2.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6420 2.3280 -1.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5296 2.4664 -3.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3770 0.4010 -4.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2496 1.6847 -3.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5653 3.1785 -3.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8546 2.2455 -1.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7603 1.3974 -2.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8278 -0.3111 -2.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9815 -0.8441 -0.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4237 0.8300 0.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7710 -1.1731 2.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3084 0.0668 3.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9265 -1.9513 3.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8662 -2.1372 1.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1891 0.2959 2.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1477 -0.1325 0.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3457 -1.9610 2.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2134 -2.2486 1.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7308 0.0173 2.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4568 -1.4630 1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3777 1.0304 0.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9954 -0.5197 -0.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6854 -0.0768 -0.0005 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 24 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 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 38 40 1 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 43 37 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 6 65 1 0 7 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 9 71 1 0 10 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 23 92 1 0 23 93 1 0 24 94 1 1 25 95 1 0 25 96 1 0 26 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 36106 1 0 36107 1 0 37108 1 1 38109 1 6 39110 1 0 40111 1 0 40112 1 0 41113 1 1 42114 1 0 43115 1 6 44116 1 0 45117 1 0 46118 1 1 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 52130 1 0 M END