HMDB0290675 RDKit 3D SM(d19:1/PGF2alpha) 139139 0 0 0 0 0 0 0 0999 V2000 2.4390 -4.9308 -0.6439 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9215 -4.8656 -0.5362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5385 -3.4067 -0.4254 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1771 -2.8004 0.8141 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8279 -1.3565 0.9688 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4477 -0.7418 2.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 0.7503 2.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5972 1.3897 3.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4328 2.8227 3.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1305 3.4878 3.7997 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7485 3.5618 2.6163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 4.2833 2.8778 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8995 3.6573 3.9325 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2302 4.2731 4.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2027 4.1520 3.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9810 3.4769 1.9697 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9959 3.3970 0.8997 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.3099 4.7192 0.5616 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4787 2.7317 -0.3328 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2229 1.2409 -0.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2329 0.9375 0.7308 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0653 -0.7410 0.8100 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.3919 -1.2044 -0.4763 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5302 -1.5436 0.9398 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.0737 -1.1922 2.1056 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6882 -0.7857 3.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8758 -1.1226 4.4961 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6009 -2.5090 4.6920 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.1151 -3.3869 3.6902 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1437 -2.7178 4.7301 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0857 -2.9692 5.9954 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2975 3.4136 -0.8026 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0012 3.6172 -2.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8159 3.1652 -3.0131 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7979 4.3201 -2.6482 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5151 3.9118 -4.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2225 2.4513 -4.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8992 1.8246 -5.3513 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7124 1.2143 -5.5518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3783 0.5749 -6.8539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1149 -0.8674 -6.6810 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1853 -1.5851 -8.0013 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3766 -1.0924 -8.5251 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5116 -2.9852 -7.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9516 -2.7681 -5.9984 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0833 -3.4617 -5.6623 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1653 -1.2439 -5.9688 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3706 -0.6963 -4.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4622 0.0565 -4.4342 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7214 0.6391 -3.1074 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5148 0.6324 -2.3885 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7263 -0.1064 -2.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0716 -0.2082 -2.9108 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0001 -0.9566 -1.9869 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5449 -2.3539 -1.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5634 -3.0103 -0.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7440 -5.6020 -1.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9044 -5.2071 0.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8246 -3.9298 -0.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4935 -5.2472 -1.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5922 -5.4160 0.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5488 -3.2594 -0.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9923 -2.8977 -1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2885 -2.8733 0.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8551 -3.3694 1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1288 -0.7420 0.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2801 -1.2196 1.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5448 -0.8048 2.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0421 -1.1775 3.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1074 0.7282 2.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3427 1.2203 1.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2398 0.7589 4.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7128 1.1127 3.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9699 3.0526 4.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1033 3.4156 2.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 4.5506 4.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3992 3.0528 4.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 2.6562 2.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2192 4.2689 1.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7220 5.3230 3.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5436 4.4995 1.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0532 2.5674 3.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 3.7307 4.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7055 3.8197 5.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0934 5.3441 4.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1728 4.6756 3.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0686 2.9387 1.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9041 2.9254 1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7381 5.0892 -0.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2427 2.7799 -1.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1967 0.7792 0.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8932 0.8709 -1.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7163 0.3410 3.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7444 -1.1082 3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3768 -0.7352 5.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9241 -0.5533 4.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0481 -3.0131 3.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4188 -4.3393 4.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3423 -3.6853 2.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 -1.8593 5.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8167 -2.7532 3.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9093 -3.6567 5.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5032 -3.9863 5.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2654 -2.9982 6.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8336 -2.2536 6.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5758 3.8046 -0.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9241 3.9520 -2.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9061 5.4244 -2.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4545 4.0694 -4.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6917 4.5155 -4.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3481 2.3308 -3.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0412 1.9159 -3.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6010 1.8374 -6.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0634 1.2532 -4.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 0.7527 -7.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4753 1.1423 -7.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9477 -1.3869 -6.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6549 -1.5851 -8.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9868 -1.8246 -8.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3419 -3.4367 -8.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 -3.5805 -7.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0773 -2.9516 -5.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1211 -3.4879 -4.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 -1.0774 -6.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6523 -0.9003 -3.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1119 0.1952 -5.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0357 1.7114 -3.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2173 1.5410 -2.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8496 0.4908 -1.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3123 -1.0754 -1.9813 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5258 0.8171 -3.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0642 -0.6283 -3.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1175 -0.4178 -1.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0430 -1.0260 -2.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5934 -2.3446 -1.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4125 -2.9518 -2.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5566 -3.0344 -1.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2191 -4.0724 -0.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5322 -2.5910 0.2747 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 16 17 1 0 17 18 1 0 17 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 2 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 47 41 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 6 69 1 0 7 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 9 75 1 0 10 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 16 87 1 0 17 88 1 1 18 89 1 0 19 90 1 6 20 91 1 0 20 92 1 0 26 93 1 0 26 94 1 0 27 95 1 0 27 96 1 0 29 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 31105 1 0 32106 1 0 35107 1 0 35108 1 0 36109 1 0 36110 1 0 37111 1 0 37112 1 0 38113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 1 42118 1 6 43119 1 0 44120 1 0 44121 1 0 45122 1 1 46123 1 0 47124 1 6 48125 1 0 49126 1 0 50127 1 6 51128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 54133 1 0 54134 1 0 55135 1 0 55136 1 0 56137 1 0 56138 1 0 56139 1 0 M CHG 2 24 -1 28 1 M END