HMDB0287808 RDKit 3D PC(5-iso PGF2VI/22:0) 151151 0 0 0 0 0 0 0 0999 V2000 -2.0857 -0.3771 2.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 0.9459 2.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4967 1.0527 4.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8212 -0.0496 5.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 -0.0027 6.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4859 -0.1194 6.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2105 -0.0649 7.4917 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6828 -0.1267 7.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4127 -1.3145 7.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2704 -1.7926 5.6546 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6005 -0.8477 4.5542 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9901 -0.3081 4.5373 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0243 -1.3842 4.4323 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3987 -0.7859 4.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6086 0.1140 3.2643 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4231 -0.6412 1.9618 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 0.3086 0.7838 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5395 -0.4094 -0.5169 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1798 -0.9496 -0.7852 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1108 0.1204 -0.8647 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8069 -0.5488 -1.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6682 0.3782 -1.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5255 -0.1278 -1.4888 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 1.7407 -1.2113 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6899 2.6603 -1.3429 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9285 3.5784 -2.5161 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9662 2.8988 -3.7626 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8268 2.2897 -4.2337 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2303 2.3463 -3.5784 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8323 1.5540 -5.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5304 1.0931 -5.8747 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8244 -0.1708 -6.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0789 -1.3108 -5.8572 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2067 -2.1896 -7.0788 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7021 -1.3894 -8.2312 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7859 -2.0406 -8.8642 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4829 -1.2955 -9.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6124 -2.0922 -8.5799 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0584 -2.9453 -9.6204 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0174 -2.9138 -7.4931 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9167 -3.2957 -6.4071 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2499 -4.5684 -6.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1725 -4.9095 -5.0226 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6297 -6.0321 -4.3957 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5606 -5.2513 -5.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4463 -5.5809 -4.3195 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6008 -4.4669 -3.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5141 -4.8609 -2.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6376 -3.6973 -1.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4233 3.4957 -0.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3367 4.3262 -0.4751 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 5.3398 0.7488 P 0 0 0 0 0 5 0 0 0 0 0 0 0.5685 6.6507 0.6575 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0669 4.5596 2.2188 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.8313 5.6870 0.6385 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4242 4.5535 0.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9131 4.6841 -0.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6497 4.9247 1.1119 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.0268 5.8145 2.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9560 3.6825 1.8203 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9576 5.4971 0.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7370 -1.1766 2.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0185 -0.6718 2.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2222 -0.2529 1.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1043 1.7604 2.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4003 0.9855 3.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4546 0.9824 3.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6733 2.0444 4.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6339 -1.0178 4.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8968 0.0108 5.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2917 -0.8423 7.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2376 0.9498 6.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6565 -1.0733 5.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7358 0.7372 5.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8311 0.8769 8.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8126 -0.8790 8.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9890 0.1354 8.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0753 0.7487 6.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0349 -2.1812 7.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5065 -1.2885 7.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0772 -2.6428 5.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3590 -2.3862 5.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4467 -1.3600 3.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8521 -0.0234 4.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0529 0.3256 3.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2149 0.3771 5.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9614 -2.0918 5.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8496 -1.9681 3.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1896 -1.5932 4.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6062 -0.2242 5.3636 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6170 0.6125 3.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8880 0.9550 3.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3359 -0.9059 1.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0852 -1.5124 1.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0382 1.1816 0.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7360 0.6581 0.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2277 -1.3071 -0.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9148 0.1714 -1.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2075 -1.5113 -1.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8835 -1.6466 0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1154 0.7910 -0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4108 0.7554 -1.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5778 -1.2552 -0.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9512 -1.1870 -2.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7023 2.1437 -1.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9312 4.0355 -2.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 4.4167 -2.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6268 0.8296 -5.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1018 2.3404 -6.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3098 1.8838 -6.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8927 -0.3523 -6.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1035 -0.9801 -5.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3326 -1.9108 -4.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9982 -2.9588 -6.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 -0.3851 -7.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5720 -1.8645 -8.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7842 -0.2211 -9.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1634 -1.6542 -10.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4763 -1.4700 -8.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2348 -3.4808 -9.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6699 -3.8732 -8.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3683 -2.5711 -5.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8596 -5.3788 -6.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1689 -4.0957 -4.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7639 -5.8298 -3.9577 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4826 -6.1728 -6.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9721 -4.3992 -6.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0524 -6.5122 -3.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4746 -5.8831 -4.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9848 -3.5551 -3.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6148 -4.2475 -2.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1214 -5.7315 -1.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5544 -5.0755 -2.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8100 -2.9596 -1.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5991 -3.1755 -1.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5110 -4.0235 -0.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2863 4.0636 0.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9948 2.7945 0.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9893 4.4523 -0.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1354 3.6306 0.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3313 3.7865 -0.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0933 5.5174 -0.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7581 6.7650 1.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1941 5.3395 2.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8008 6.0874 2.8134 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5876 3.0151 1.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0202 3.1542 2.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4812 3.8763 2.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8631 6.5959 0.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3432 5.0897 -0.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6730 5.2585 1.5962 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 2 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 25 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 58 60 1 0 58 61 1 0 40 34 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 6 74 1 0 7 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 9 80 1 0 10 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 20101 1 0 20102 1 0 21103 1 0 21104 1 0 25105 1 6 26106 1 0 26107 1 0 30108 1 0 30109 1 0 31110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 1 35115 1 1 36116 1 0 37117 1 0 37118 1 0 38119 1 1 39120 1 0 40121 1 6 41122 1 0 42123 1 0 43124 1 1 44125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 48132 1 0 48133 1 0 49134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 56139 1 0 56140 1 0 57141 1 0 57142 1 0 59143 1 0 59144 1 0 59145 1 0 60146 1 0 60147 1 0 60148 1 0 61149 1 0 61150 1 0 61151 1 0 M CHG 2 54 -1 58 1 M END