HMDB0263606 RDKit 3D PA(6 keto-PGF1alpha/18:0) 129129 0 0 0 0 0 0 0 0999 V2000 13.7379 4.7388 1.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4058 3.3232 1.8631 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6583 2.5183 1.7787 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5325 1.0999 2.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5768 0.2607 1.4325 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9456 0.1679 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9882 -0.7051 -0.8002 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5709 -0.2182 -0.7714 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3627 1.1324 -1.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8969 1.5064 -1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0337 0.5362 -1.9854 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5754 0.9281 -1.9139 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1482 0.9898 -0.4851 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6763 1.3429 -0.3781 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8809 0.2760 -1.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1144 -1.0783 -0.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3539 -2.1783 -1.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8997 -1.9665 -1.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2266 -1.3247 -1.9674 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2229 -2.5056 -0.0601 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8589 -2.4348 0.1820 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6452 -1.6009 1.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6957 -1.5291 1.8028 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7468 -1.0458 1.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5105 -0.5936 -0.0769 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0863 -1.1019 1.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1804 -0.7493 0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2211 -1.6843 -0.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3225 -1.3546 -1.4018 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6423 -1.5168 -0.7513 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7200 -1.8711 0.3892 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8331 -1.2174 -1.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1413 -1.4478 -0.9217 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.3113 -2.8836 -0.4598 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.2141 -3.6845 -0.7638 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6188 -2.8394 1.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0585 -1.4172 1.3065 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.6734 -1.0375 2.5866 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3664 -0.5717 0.2494 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.1741 0.6347 0.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7250 1.0612 -1.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5221 2.3348 -1.0576 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.5154 2.9351 -2.3097 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.9488 2.0064 -0.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8487 3.2034 -0.6328 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4148 4.2792 0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4314 5.4254 0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7840 4.8661 0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2833 -3.8024 0.3263 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4502 -4.5870 -0.7970 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1966 -6.1195 -0.6313 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.6300 -6.1001 -0.1528 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0629 -6.9185 -2.1179 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7077 -7.0256 0.5003 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8545 5.3723 1.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6203 5.1202 1.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0316 4.6942 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6310 2.9280 1.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0408 3.4591 2.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0979 2.5788 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4222 2.9885 2.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2889 0.9879 3.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5457 0.6129 2.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6781 -0.7875 1.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5156 0.5294 1.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9642 -0.2479 -0.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9486 1.1589 -0.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3084 -0.6914 -1.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9783 -1.7546 -0.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1201 -0.2446 0.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9816 -0.9708 -1.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5833 1.1377 -2.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9238 1.9136 -0.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7407 2.5028 -1.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6563 1.6047 -0.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0781 -0.5085 -1.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3780 0.5090 -3.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0363 0.1440 -2.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3737 1.8807 -2.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4512 0.1201 0.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6786 1.8594 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3662 1.4692 0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5524 2.2860 -0.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 0.3675 -2.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7894 0.5724 -1.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6971 -1.0345 0.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1784 -1.3231 -0.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6287 -2.1674 -2.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6488 -3.1625 -0.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3209 -1.8799 -0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1698 -0.6421 1.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1702 -2.1756 2.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1210 -0.3578 2.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2164 -2.1516 2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8672 0.2577 0.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1338 -0.5739 1.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2553 -1.7202 -1.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3482 -2.7147 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2165 -0.3177 -1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2492 -2.0111 -2.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7694 -1.7132 -2.5814 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7787 -0.1106 -1.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9274 -1.3090 -1.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1826 -3.3769 -0.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3569 -4.1711 -1.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4707 -3.4965 1.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7733 -3.1678 1.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1605 -1.3205 1.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1925 -1.7586 3.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3801 -0.2371 0.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3312 1.2605 0.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6017 0.4960 -1.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1436 3.0776 -0.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6084 2.8365 -2.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3473 1.3013 -1.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9621 1.5615 0.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9762 3.6598 -1.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8512 2.8211 -0.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3721 3.9030 1.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4018 4.6450 0.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5011 5.7586 -0.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0979 6.2273 0.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3865 4.6081 -0.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7141 3.9792 1.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3518 5.6435 1.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8222 -3.7272 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7527 -4.2942 1.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7551 -6.5700 -2.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6628 -6.6004 1.3935 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 39 33 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 6 67 1 0 7 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 9 73 1 0 10 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 21 90 1 6 22 91 1 0 22 92 1 0 26 93 1 0 26 94 1 0 27 95 1 0 27 96 1 0 28 97 1 0 28 98 1 0 29 99 1 0 29100 1 0 32101 1 0 32102 1 0 33103 1 6 34104 1 6 35105 1 0 36106 1 0 36107 1 0 37108 1 1 38109 1 0 39110 1 1 40111 1 0 41112 1 0 42113 1 1 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 53128 1 0 54129 1 0 M END