HMDB0286236 RDKit 3D PC(6 keto-PGF1alpha/18:0) 146146 0 0 0 0 0 0 0 0999 V2000 2.9284 -1.9917 5.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3614 -3.2483 6.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9344 -3.4756 5.6347 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3733 -4.7195 6.2703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0437 -4.9448 5.8289 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1988 -5.1214 4.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6538 -5.3417 3.9708 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8408 -5.5200 2.4903 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0852 -6.7140 1.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3262 -6.8550 0.4705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6299 -8.0273 -0.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -8.0143 -0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 -6.8239 -0.7407 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9604 -6.9119 -0.6329 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6498 -5.7322 -1.3239 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1422 -5.8865 -1.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9112 -4.8033 -1.8912 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6528 -3.4616 -1.3312 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4911 -3.0407 -0.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6182 -2.6328 -1.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5489 -1.3377 -1.0091 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2393 -1.2942 -0.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0402 -0.1056 0.4663 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8216 0.3289 1.4934 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8117 -0.5146 1.7352 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7452 1.5135 2.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4786 2.8498 1.8079 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2114 3.3055 1.2429 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6975 2.5889 0.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5668 3.2572 -0.4494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9743 4.2139 0.1233 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 2.6736 -1.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5072 3.2832 -1.9856 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9944 2.5688 -3.2663 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8725 1.1980 -3.0631 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4747 2.9064 -3.2741 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8355 2.6786 -1.8032 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3044 1.3412 -1.7479 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5748 2.7484 -1.0191 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7246 3.5244 0.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5604 2.9219 1.3955 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6899 3.6417 2.6547 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3633 4.0781 2.9852 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6594 4.7194 2.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0776 4.5019 2.7073 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8740 3.9104 1.6582 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8131 2.4806 1.3082 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1624 1.5738 2.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5989 -0.2810 -2.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5389 1.0169 -1.6445 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6198 2.0352 -2.9961 P 0 0 0 0 0 5 0 0 0 0 0 0 4.9543 1.9186 -3.7036 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4151 1.6498 -4.1287 O 0 0 0 0 0 1 0 0 0 0 0 0 3.4132 3.6562 -2.5706 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8143 4.4536 -3.6417 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6838 5.9160 -3.4126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3411 6.3477 -3.1389 N 0 0 0 0 0 4 0 0 0 0 0 0 2.2410 7.7500 -3.5479 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3245 5.6445 -3.8855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0681 6.3441 -1.6924 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7842 -2.0465 4.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0029 -1.8802 5.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4116 -1.0904 5.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 -3.1112 7.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9532 -4.1277 5.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 -2.6269 5.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8873 -3.4993 4.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0068 -5.5869 5.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4636 -4.6103 7.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7004 -4.0969 6.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4287 -5.8375 6.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6624 -6.0453 4.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8244 -4.2536 3.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0526 -6.2630 4.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2402 -4.5072 4.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9255 -5.7416 2.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5245 -4.6164 1.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0043 -6.5858 2.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4080 -7.6357 2.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9501 -5.9386 -0.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4081 -6.9671 0.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0778 -8.9387 0.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9874 -8.0523 -1.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1584 -8.1233 0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -8.9261 -0.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -5.8762 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1492 -6.8133 -1.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2729 -6.9833 0.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 -7.8612 -1.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3338 -4.7781 -0.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3376 -5.7846 -2.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4085 -5.9326 -0.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4469 -6.8835 -1.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6914 -4.8231 -2.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0025 -5.0726 -1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4036 -1.2072 -0.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3988 -1.3765 -0.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1489 -2.1431 0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0593 1.2764 3.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7466 1.6041 2.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9082 3.6514 2.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2512 2.9927 0.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 4.3992 0.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4396 3.3369 2.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 2.5973 -0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3016 1.5789 0.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4895 2.8217 -2.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3285 1.5754 -1.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5419 4.3589 -2.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4443 2.8883 -4.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6250 0.7246 -3.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5659 3.9672 -3.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9516 2.1940 -3.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6288 3.3737 -1.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2728 1.3883 -1.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2535 1.6953 -0.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9594 4.5601 0.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3202 1.8525 1.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8558 2.8466 3.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7757 3.2687 3.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4413 5.1877 3.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3299 5.6344 2.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4313 3.9536 3.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6137 5.5329 2.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9958 4.1211 1.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7349 4.5350 0.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0021 2.0438 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7193 2.2828 0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0509 1.9837 3.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4914 0.6014 2.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3029 1.3704 3.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4969 -0.4361 -2.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7344 -0.4268 -2.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9134 4.2410 -3.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2998 4.0797 -4.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0176 6.4687 -4.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3314 6.2500 -2.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1971 8.2943 -3.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4238 8.2225 -2.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9068 7.8112 -4.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 6.0975 -4.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4252 4.5616 -3.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3515 5.8996 -3.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9584 6.3624 -1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4486 7.2684 -1.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 5.4188 -1.2640 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 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 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 21 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 57 60 1 0 39 33 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 6 73 1 0 7 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 9 79 1 0 10 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 12 85 1 0 13 86 1 0 13 87 1 0 14 88 1 0 14 89 1 0 15 90 1 0 15 91 1 0 16 92 1 0 16 93 1 0 17 94 1 0 17 95 1 0 21 96 1 1 22 97 1 0 22 98 1 0 26 99 1 0 26100 1 0 27101 1 0 27102 1 0 28103 1 0 28104 1 0 29105 1 0 29106 1 0 32107 1 0 32108 1 0 33109 1 6 34110 1 6 35111 1 0 36112 1 0 36113 1 0 37114 1 1 38115 1 0 39116 1 1 40117 1 0 41118 1 0 42119 1 1 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 48131 1 0 49132 1 0 49133 1 0 55134 1 0 55135 1 0 56136 1 0 56137 1 0 58138 1 0 58139 1 0 58140 1 0 59141 1 0 59142 1 0 59143 1 0 60144 1 0 60145 1 0 60146 1 0 M CHG 2 53 -1 57 1 M END