HMDB0285820 RDKit 3D PC(15:0/6 keto-PGF1alpha) 137137 0 0 0 0 0 0 0 0999 V2000 -4.5745 3.7169 0.6856 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6783 2.7264 1.4456 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8988 2.8755 2.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0057 1.8236 3.6549 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1794 2.0223 5.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4666 1.1296 6.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7106 -0.2852 6.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4755 -1.3394 5.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0794 -1.6284 4.7196 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3761 -0.6594 3.8525 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 -1.0435 3.7147 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -2.4973 3.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7681 -2.8167 3.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5705 -2.1897 2.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3277 -2.8537 0.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4911 -3.7832 0.8390 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9558 -2.5394 -0.2973 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8925 -3.1100 -1.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6951 -3.2740 -2.3411 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1381 -2.1077 -3.1055 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0496 -1.3048 -3.7318 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1961 -0.1711 -4.6328 P 0 0 0 0 0 5 0 0 0 0 0 0 0.9554 -0.7957 -5.2685 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1890 0.3764 -5.9076 O 0 0 0 0 0 1 0 0 0 0 0 0 1.7645 1.1654 -3.7269 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8156 1.9264 -4.4414 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4154 3.1512 -3.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5439 3.9709 -4.3350 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.2397 3.3156 -5.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0105 5.2076 -4.8551 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5793 4.3709 -3.3692 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6074 -3.9851 -1.7932 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1901 -5.2421 -2.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8512 -5.7647 -3.1684 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0144 -5.9354 -1.6548 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6601 -4.9423 -0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9647 -5.3221 -0.1451 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4045 -4.1121 0.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3839 -2.9046 -0.1478 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -2.1664 -0.0136 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4156 -2.5659 -1.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0512 -1.2982 -1.9123 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2422 -1.1516 -2.8874 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4110 -1.5273 -2.2219 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2079 0.3383 -3.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0857 0.8577 -1.7311 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3006 0.8549 -1.0866 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 -0.0651 -1.0891 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7787 0.7027 -1.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1151 0.9458 0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1179 1.6634 0.2774 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1794 2.0906 1.6154 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4133 0.9740 0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4935 2.0031 0.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8804 1.5196 0.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2832 1.1682 -1.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1959 2.4007 -2.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2022 3.7417 -0.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5917 3.2818 0.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5298 4.7186 1.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6153 2.9892 1.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8880 1.7253 1.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9430 2.5776 3.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6349 3.8783 3.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9824 2.0023 3.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3693 0.8640 3.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8642 3.1152 5.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2871 2.0857 5.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7139 1.5438 7.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3372 1.3950 6.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 -0.6431 7.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8059 -0.3825 6.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8634 -2.3111 5.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1433 -1.2817 4.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 -2.6480 4.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 -1.9056 5.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7843 -0.7670 2.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4747 0.3856 4.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5651 -0.3465 2.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5702 -0.9356 4.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7759 -3.1952 3.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8985 -2.5862 2.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2617 -2.4904 4.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9328 -3.9235 3.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2190 -1.1184 2.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6497 -2.2523 2.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4183 -4.1429 -1.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -2.5026 -2.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0143 -4.0033 -3.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4826 -1.4696 -2.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4038 -2.4882 -3.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2782 2.2308 -5.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0008 1.2475 -4.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3219 3.7972 -3.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0804 2.8526 -2.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6329 3.1223 -6.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0720 3.9909 -5.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7539 2.3872 -5.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5215 5.0888 -5.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5963 5.7079 -4.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8783 5.8726 -5.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6557 3.5676 -2.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5353 4.4977 -3.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 5.3322 -2.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6492 -6.3362 -2.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4021 -6.8133 -1.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0593 -4.6856 0.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8743 -4.0303 -1.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8527 -6.1699 0.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7793 -5.5093 -0.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6532 -4.0249 1.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4120 -4.3414 1.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6347 -3.3524 -1.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4005 -2.3343 -0.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1168 -1.4044 -2.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1269 -1.7837 -3.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2100 -1.4191 -2.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1209 0.7247 -3.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2775 0.5723 -3.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7225 1.8982 -1.8004 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0018 0.8888 -1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3666 -0.3403 -0.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3455 1.0911 -1.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6116 0.5094 0.9521 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1727 2.6383 -0.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5023 3.0188 1.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5987 0.0991 0.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5488 0.6564 -1.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2887 2.9124 -0.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3491 2.1860 1.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1152 0.7241 0.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5590 2.3777 0.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3704 0.9121 -1.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7021 0.3329 -1.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1747 2.8359 -2.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9850 3.1172 -1.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3526 2.0581 -3.1611 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 2 0 15 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 22 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 28 31 1 0 19 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 48 42 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 6 70 1 0 7 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 9 76 1 0 10 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 18 87 1 0 18 88 1 0 19 89 1 6 20 90 1 0 20 91 1 0 26 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 29 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 31104 1 0 35105 1 0 35106 1 0 36107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 38112 1 0 41113 1 0 41114 1 0 42115 1 6 43116 1 6 44117 1 0 45118 1 0 45119 1 0 46120 1 6 47121 1 0 48122 1 1 49123 1 0 50124 1 0 51125 1 6 52126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 56133 1 0 56134 1 0 57135 1 0 57136 1 0 57137 1 0 M CHG 2 24 -1 28 1 M END