HMDB0289247 RDKit 3D PC(DiMe(9,3)/PGF2alpha) 140141 0 0 0 0 0 0 0 0999 V2000 -3.0923 3.8569 -5.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6163 4.4081 -4.3658 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4649 4.5233 -3.3858 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3759 5.4486 -3.8823 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8733 6.8486 -4.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7613 7.7137 -4.5903 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2476 7.2292 -5.8049 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3019 8.0122 -3.6224 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1284 8.1571 -2.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2929 8.4564 -1.4850 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1564 9.7162 -0.6524 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1220 10.8697 -1.4024 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4022 9.6239 0.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8060 8.1524 0.2394 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8734 8.0325 -0.6611 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6171 7.4526 -0.4036 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9343 6.0895 -0.9262 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2445 5.1775 0.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4995 4.1094 0.4332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6993 3.1283 1.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5031 3.0617 2.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7419 2.0248 3.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8877 0.6867 2.8536 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5534 -0.2394 3.3729 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2762 0.5098 1.6569 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2953 -0.6598 0.8713 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6006 -0.3198 -0.5653 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5338 -1.3871 -1.3937 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2403 -2.5573 -1.4669 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1523 -2.7361 -0.6298 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8373 -3.4825 -2.5407 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6389 -4.6916 -2.7223 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7509 -5.6368 -1.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5213 -6.8931 -2.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6707 -7.8646 -0.8756 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5173 -7.3395 0.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5363 -8.4206 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4338 -8.0576 2.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -6.7771 3.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8091 -5.6759 2.9319 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3023 -4.6822 3.6122 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8816 -3.3173 3.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0741 -2.4043 2.6997 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6302 -1.0088 2.6704 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2025 -5.1326 4.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3024 -4.3809 5.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0785 -6.4768 3.9511 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0039 -7.3613 4.4654 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1205 -1.2584 0.8609 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 -2.4195 0.1102 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7471 -3.0072 0.1718 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.0783 -3.5417 -1.2042 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7707 -4.2646 1.3140 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.8049 -1.8080 0.6745 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7198 -1.5490 -0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7162 -0.4842 0.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5228 -0.7694 1.1778 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.3615 -2.0843 1.7272 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9325 -0.5057 0.9092 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1483 0.1907 2.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8830 3.1781 -6.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8902 4.7112 -6.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1564 3.2817 -5.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3595 3.7304 -3.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1254 5.3496 -4.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0255 3.5328 -3.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 4.9317 -2.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8438 5.0553 -4.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6253 5.4996 -3.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7058 6.7756 -4.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3512 7.2229 -3.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2454 8.6979 -4.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9414 6.6390 -6.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3338 8.1238 -4.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8686 8.0427 -1.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2332 8.5541 -2.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2872 9.5893 0.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1834 11.2356 -1.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1688 9.9463 1.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1722 10.2568 -0.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0394 7.7931 1.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5022 8.8032 -0.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8362 7.4342 0.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8086 6.1207 -1.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 5.6737 -1.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0725 5.3655 0.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6571 3.9328 -0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8472 2.1153 1.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6019 3.3570 2.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2749 4.0226 2.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 2.7264 1.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1584 1.9691 4.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6235 2.2517 4.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9355 -1.4194 1.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6076 0.1719 -0.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1918 0.4326 -0.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7862 -2.8473 -3.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2509 -3.7837 -2.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2723 -5.3294 -3.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6709 -4.3720 -3.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3633 -5.1955 -0.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7675 -5.9857 -1.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5378 -6.6144 -2.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9658 -7.3476 -2.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6475 -8.1788 -0.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1205 -8.8258 -1.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5242 -7.0990 -0.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0097 -6.4653 0.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8217 -9.3677 0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4904 -8.4303 1.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3363 -8.8617 3.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5223 -8.1021 2.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9011 -2.9153 4.6229 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9269 -3.3276 3.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0179 -2.4535 2.9752 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1221 -2.8198 1.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7633 -0.6319 3.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6274 -1.0517 2.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9438 -0.3926 2.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2226 -4.5124 4.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3546 -4.7598 6.2288 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5670 -3.3043 5.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1114 -8.3871 4.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9747 -7.3726 5.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0249 -6.8889 4.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3912 -1.4556 1.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8545 -0.5574 0.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2394 -2.4794 -0.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1401 -1.2066 -1.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2230 0.5106 0.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4194 -0.4064 -0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2403 -2.2386 2.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4542 -2.8628 0.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4242 -2.1477 2.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4796 -0.9568 1.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2958 -0.9865 -0.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0674 0.5945 0.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4608 -0.2332 3.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6119 1.1785 2.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0501 0.3367 2.1152 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 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 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 41 45 2 0 45 46 1 0 45 47 1 0 47 48 1 0 26 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 16 10 1 0 47 39 2 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 6 7 73 1 0 8 74 1 0 9 75 1 0 10 76 1 6 11 77 1 1 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 1 15 82 1 0 16 83 1 1 17 84 1 0 17 85 1 0 18 86 1 0 19 87 1 0 20 88 1 0 20 89 1 0 21 90 1 0 21 91 1 0 22 92 1 0 22 93 1 0 26 94 1 1 27 95 1 0 27 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 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 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 44119 1 0 46120 1 0 46121 1 0 46122 1 0 48123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 58132 1 0 58133 1 0 58134 1 0 59135 1 0 59136 1 0 59137 1 0 60138 1 0 60139 1 0 60140 1 0 M CHG 2 53 -1 57 1 M END