HMDB0298573 RDKit 3D DG(i-13:0/6 keto-PGF1alpha/0:0) 109109 0 0 0 0 0 0 0 0999 V2000 14.4246 -0.1622 1.4897 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7508 0.6616 0.3955 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0957 -0.2768 -0.6337 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0958 -1.0850 0.1542 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3234 -2.0810 -0.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4785 -1.5643 -1.7349 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2137 -0.8914 -2.6936 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3027 -0.7780 -1.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8521 -0.7362 -0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6935 0.0389 0.3162 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2155 1.1028 1.2996 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5440 1.0504 2.5079 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9595 2.4354 0.6815 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7045 2.1398 -0.7696 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9386 3.1359 -1.3753 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9684 0.8269 -0.6974 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5507 1.0329 -0.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8964 -0.2794 -0.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4289 -1.2847 -0.4776 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5786 -0.4552 0.6226 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1151 -1.8821 0.6501 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8259 -2.0680 1.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7261 -1.2738 0.7305 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5551 -1.4736 1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5719 -2.2331 2.5078 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7565 -0.8655 1.1670 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9255 -1.0900 1.9370 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2884 0.2040 2.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2716 0.5890 3.5312 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1099 -1.5723 1.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5169 -0.6052 0.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6382 -0.8218 -0.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2706 -1.8929 -0.3998 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1476 0.1286 -1.5935 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9905 1.2027 -0.8957 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1296 0.6002 -0.1538 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1167 -0.1450 -0.9839 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8061 0.7311 -2.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8492 0.0827 -2.8034 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1944 -0.2568 -2.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4950 -0.9284 -1.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4235 -0.2056 0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4368 0.8873 0.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4344 2.0354 -0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8449 0.2988 0.4798 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6921 -0.3840 2.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9131 -1.0692 1.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1702 0.5235 1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4129 1.3938 -0.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9258 1.2175 0.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6361 0.4019 -1.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8943 -0.8946 -1.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7113 -1.6812 0.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5265 -0.3843 0.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7625 -2.7239 0.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0833 -2.7694 -1.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0637 -2.4743 -2.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8505 -0.0077 -2.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7798 -0.2128 -2.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3550 -1.3155 0.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0636 -0.6206 0.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3072 0.9883 1.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9890 1.5790 3.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8065 3.1375 0.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0477 2.9328 1.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6635 1.9969 -1.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9267 3.9205 -0.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8636 0.3486 -1.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9839 1.6340 -0.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5704 1.5649 0.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8279 0.1202 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5638 0.0124 1.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8873 -2.4732 1.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0586 -2.3373 -0.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4963 -3.1375 1.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8951 -1.7949 2.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5192 -1.5857 -0.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9864 -0.1890 0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6543 -1.7959 2.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2491 0.0055 3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5219 0.9572 1.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7199 1.3285 3.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9808 -1.6867 1.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9748 -2.5694 0.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6844 -0.3721 -2.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2621 0.6497 -2.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3300 1.7361 -0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3741 1.8684 -1.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6659 1.4404 0.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8052 -0.0675 0.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7392 -0.8047 -0.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5010 -0.8896 -1.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0179 1.1758 -2.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2488 1.6382 -1.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3610 -0.8701 -3.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0002 0.7606 -3.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6681 -0.9732 -3.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8523 0.6561 -2.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8006 -1.8497 -1.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5094 -1.4659 -1.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4495 0.3025 0.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5571 -0.9022 1.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2372 1.2780 1.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7318 2.9505 0.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2526 2.0019 -1.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4464 2.2707 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5467 1.1076 0.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8372 -0.4422 1.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1642 -0.1165 -0.4791 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 14 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 27 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 36 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 1 0 43 45 1 0 16 10 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 3 51 1 0 3 52 1 0 4 53 1 0 4 54 1 0 5 55 1 0 5 56 1 0 6 57 1 6 7 58 1 0 8 59 1 0 9 60 1 0 10 61 1 1 11 62 1 1 12 63 1 0 13 64 1 0 13 65 1 0 14 66 1 6 15 67 1 0 16 68 1 6 17 69 1 0 17 70 1 0 20 71 1 0 20 72 1 0 21 73 1 0 21 74 1 0 22 75 1 0 22 76 1 0 23 77 1 0 23 78 1 0 27 79 1 1 28 80 1 0 28 81 1 0 29 82 1 0 30 83 1 0 30 84 1 0 34 85 1 0 34 86 1 0 35 87 1 0 35 88 1 0 36 89 1 0 36 90 1 0 37 91 1 0 37 92 1 0 38 93 1 0 38 94 1 0 39 95 1 0 39 96 1 0 40 97 1 0 40 98 1 0 41 99 1 0 41100 1 0 42101 1 0 42102 1 0 43103 1 0 44104 1 0 44105 1 0 44106 1 0 45107 1 0 45108 1 0 45109 1 0 M END