HMDB0269104 RDKit 3D PG(6 keto-PGF1alpha/18:2(9Z,11Z)) 136136 0 0 0 0 0 0 0 0999 V2000 -9.4996 1.7032 -5.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1569 2.1097 -4.6684 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9775 3.5796 -4.8629 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6568 4.0819 -4.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5076 5.5652 -4.5119 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2487 6.1436 -4.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9490 5.9610 -4.5503 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4474 5.3625 -5.5711 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2126 4.6602 -6.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6874 4.0293 -7.5745 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2755 3.9141 -7.9007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7522 2.5566 -8.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7216 1.4797 -7.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9082 1.5927 -5.9084 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2818 2.6067 -4.9095 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5934 2.4284 -4.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7124 1.2542 -3.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5670 -0.0766 -3.8744 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2178 -0.5245 -4.8516 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6524 -0.9515 -3.3116 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3514 -2.2526 -3.6504 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7106 -3.2307 -2.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0482 -2.7167 -1.3794 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9552 -3.2448 -0.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4951 -4.3496 0.1065 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2312 -2.5266 0.9694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1038 -3.4240 2.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5522 -2.6869 3.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9190 -2.1478 2.9761 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4474 -1.4168 4.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7784 -1.4479 5.1841 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6909 -0.6654 4.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9248 -1.3178 4.6928 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0125 -0.2209 4.5595 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4383 0.9405 5.0634 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0914 -0.6770 5.4687 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4948 -1.6741 6.4207 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6286 -1.2854 7.7517 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0036 -1.6466 6.1242 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3785 -2.9284 6.5422 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4094 -2.9167 7.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7492 -4.1644 7.8985 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4566 -4.6924 8.9758 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3212 -4.0247 8.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0135 -3.0831 9.3863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6553 -3.4003 10.6992 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1807 -2.3073 11.6713 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6209 -0.9560 11.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0951 -2.4298 -4.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5115 -1.7168 -5.1122 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1089 -1.9727 -5.5138 P 0 0 0 0 0 5 0 0 0 0 0 0 2.2485 -3.4291 -5.9354 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6109 -0.9963 -6.8028 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1642 -1.6980 -4.2427 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7180 -0.4130 -4.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6714 -0.1450 -3.1769 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7030 -1.1045 -3.2665 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3219 1.2095 -3.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2584 1.3796 -2.3196 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3759 0.7144 -5.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2919 1.6722 -4.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8201 2.4933 -5.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2464 1.8616 -3.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3358 1.5033 -5.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0687 3.8746 -5.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7886 4.1214 -4.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8398 3.4654 -4.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7815 3.9324 -3.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8295 5.9153 -5.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3887 5.9925 -3.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4770 7.2981 -3.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2289 5.9384 -2.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1149 6.4611 -3.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3398 5.3995 -5.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2860 4.6483 -6.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3805 3.5204 -8.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5983 4.5891 -7.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1919 4.4072 -8.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2950 2.1128 -9.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6894 2.6283 -8.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7840 1.1772 -6.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3869 0.4919 -7.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8195 0.5622 -5.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1695 1.8047 -6.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4648 2.5243 -4.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0799 3.6068 -5.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4470 2.3552 -4.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7759 3.3511 -3.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9305 1.4043 -2.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6882 1.3754 -2.7484 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9899 -2.6123 -4.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4594 -4.2596 -2.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8062 -3.1782 -2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8327 -1.6233 1.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7668 -2.1757 0.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0955 -3.7527 2.5001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5392 -4.3071 1.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 -1.9438 3.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7142 -3.4814 4.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5451 -2.9810 2.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7665 -1.3672 2.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5437 0.2715 4.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8860 -0.3146 3.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3085 -2.1220 4.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3063 -0.1144 3.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3534 1.6433 4.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9410 -1.1571 4.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4650 0.1904 6.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8794 -2.7155 6.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2962 -1.8265 8.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5530 -0.8137 6.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7189 -3.8625 6.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0753 -1.9707 7.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8467 -4.9141 7.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9319 -5.5323 8.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9847 -5.0509 8.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7304 -3.7840 7.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1036 -3.1715 9.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1912 -2.0254 9.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7756 -3.2584 10.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3691 -4.3926 11.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0762 -2.3155 11.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6380 -2.4619 12.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7802 -0.4987 10.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5094 -1.0136 10.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7982 -0.3027 12.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2755 -3.5174 -4.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7105 -2.0990 -3.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3353 -1.5262 -7.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3311 -0.4060 -5.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9610 0.3739 -4.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1341 -0.2709 -2.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4275 -0.8948 -2.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7731 1.2486 -4.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5605 2.0297 -3.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8538 1.4665 -1.4325 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 2 0 8 9 1 0 9 10 2 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 21 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 56 58 1 0 58 59 1 0 39 33 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 21 91 1 6 22 92 1 0 22 93 1 0 26 94 1 0 26 95 1 0 27 96 1 0 27 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 29101 1 0 32102 1 0 32103 1 0 33104 1 6 34105 1 6 35106 1 0 36107 1 0 36108 1 0 37109 1 1 38110 1 0 39111 1 1 40112 1 0 41113 1 0 42114 1 6 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 48126 1 0 49127 1 0 49128 1 0 53129 1 0 55130 1 0 55131 1 0 56132 1 1 57133 1 0 58134 1 0 58135 1 0 59136 1 0 M END