HMDB0287794 RDKit 3D PC(PGF2alpha/22:0) 157157 0 0 0 0 0 0 0 0999 V2000 1.8975 8.0080 1.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3687 7.6285 1.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8537 6.9904 -0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3046 6.6296 0.1551 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8150 5.9725 -1.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7087 6.8604 -2.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2428 6.0931 -3.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4149 4.8464 -3.7376 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 5.1409 -3.9866 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7479 5.9518 -5.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2753 6.2479 -5.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4287 4.9846 -5.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7684 4.0796 -6.6154 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8940 2.8459 -6.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0424 2.0311 -5.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2344 0.7894 -5.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2452 0.9461 -5.3514 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6673 1.8961 -4.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1672 2.0639 -4.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3854 3.1451 -3.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8660 3.3483 -2.8265 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4128 2.0858 -2.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5657 1.7356 -2.4466 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5611 1.3953 -1.3899 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9231 0.2103 -0.7176 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9111 0.4733 0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2219 -0.6461 1.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2414 -0.4919 2.9378 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9838 0.6481 3.4152 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5478 -1.5853 3.8956 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5283 -1.0232 5.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7841 -1.9593 6.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8337 -3.0299 6.6425 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7046 -3.2668 6.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8183 -4.4072 6.3974 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6064 -5.3808 5.2610 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8897 -6.0003 4.7813 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8818 -5.0347 4.7754 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6490 -6.3771 3.3282 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2614 -5.8740 3.0004 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2020 -5.4440 1.6958 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0911 -4.7194 3.9990 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6492 -4.3416 4.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2797 -4.8036 3.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7333 -4.4444 3.3750 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3423 -5.2381 4.3074 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3257 -4.5145 1.9911 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2331 -5.8548 1.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9142 -6.9724 2.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6996 -8.2462 1.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1968 -8.4645 1.1565 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0531 -0.9567 -1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1630 -1.1763 -2.4527 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1309 -2.5095 -2.7562 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.6467 -2.4883 -4.1856 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0682 -3.9020 -2.5435 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.8175 -2.4767 -1.6776 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7563 -1.7802 -2.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4612 -1.6969 -1.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2867 -1.0471 -0.1289 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.2663 0.2789 -0.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6296 -0.9179 0.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5086 -1.8117 0.8097 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 9.0898 1.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3618 7.7443 2.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4324 7.4455 0.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4700 6.9263 2.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9252 8.5526 1.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6996 7.6982 -0.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2329 6.1042 -0.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8811 7.5201 0.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3726 5.8700 0.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8986 5.7319 -0.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2682 5.0360 -1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3473 7.7720 -2.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7046 7.1950 -2.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2739 5.7512 -3.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2192 6.7635 -4.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7839 4.3556 -4.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5595 4.0865 -2.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4325 4.1531 -4.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4939 5.6752 -3.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1572 5.4466 -6.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2586 6.9214 -5.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 6.8300 -4.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1386 6.8597 -6.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4912 4.4442 -4.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 5.3552 -5.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8138 3.7174 -6.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6422 4.6387 -7.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1655 2.2628 -7.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1731 3.1430 -6.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8732 2.6876 -4.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1219 1.7141 -5.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5671 0.1104 -6.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4752 0.2557 -4.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5917 1.3111 -6.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7234 -0.0276 -5.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1849 2.8724 -4.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2965 1.5097 -3.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6614 1.1455 -3.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5878 2.4662 -5.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0078 4.0933 -3.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 2.8037 -2.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3673 3.6183 -3.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9837 4.1402 -2.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9682 -0.0262 -0.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6427 1.2687 1.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9031 0.8815 1.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9763 -2.4830 3.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6375 -1.8560 3.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3633 -0.2516 5.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6148 -0.3971 5.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8930 -1.3650 7.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7934 -2.4451 6.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0608 -3.7602 7.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3510 -2.6340 5.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8346 -4.0600 6.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2778 -4.9777 7.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9231 -6.1972 5.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1570 -6.8968 5.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7608 -5.4252 4.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7085 -7.4858 3.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3451 -5.8430 2.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4966 -6.6303 3.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0364 -5.6950 1.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7196 -3.8601 3.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3665 -3.6565 4.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0241 -5.4984 2.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8636 -3.3908 3.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3273 -5.2924 4.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6849 -3.8260 1.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3369 -4.0878 1.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7826 -5.7433 0.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -6.1589 1.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0195 -6.8521 2.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4482 -7.1862 3.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1569 -9.0639 1.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1668 -8.1728 0.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8521 -8.0150 0.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6457 -7.9815 1.9727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9846 -9.5508 1.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0089 -0.8130 -0.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4416 -1.9103 -0.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0564 -0.7988 -2.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4694 -2.3890 -3.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8799 -2.7200 -1.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2437 -1.1411 -1.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2262 0.3795 0.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4218 1.0004 0.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4001 0.5774 -1.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3936 -1.3643 -0.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6923 -1.4295 1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8747 0.1554 0.6467 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0837 -2.0546 1.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8489 -2.7910 0.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3496 -1.1797 1.1428 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 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 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 2 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 25 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 60 62 1 0 60 63 1 0 42 36 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 6 76 1 0 7 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 9 82 1 0 10 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 12 88 1 0 13 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 15 94 1 0 16 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 18 99 1 0 18100 1 0 19101 1 0 19102 1 0 20103 1 0 20104 1 0 21105 1 0 21106 1 0 25107 1 6 26108 1 0 26109 1 0 30110 1 0 30111 1 0 31112 1 0 31113 1 0 32114 1 0 32115 1 0 33116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 1 37121 1 1 38122 1 0 39123 1 0 39124 1 0 40125 1 6 41126 1 0 42127 1 6 43128 1 0 44129 1 0 45130 1 1 46131 1 0 47132 1 0 47133 1 0 48134 1 0 48135 1 0 49136 1 0 49137 1 0 50138 1 0 50139 1 0 51140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 58145 1 0 58146 1 0 59147 1 0 59148 1 0 61149 1 0 61150 1 0 61151 1 0 62152 1 0 62153 1 0 62154 1 0 63155 1 0 63156 1 0 63157 1 0 M CHG 2 56 -1 60 1 M END