HMDB0277095 RDKit 3D PI(20:1(11Z)/6 keto-PGF1alpha) 154155 0 0 0 0 0 0 0 0999 V2000 15.6867 0.3151 3.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9370 -0.0921 1.8021 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8163 -0.9027 0.9039 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1604 -1.3558 -0.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7142 -0.1399 -1.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0651 -0.6266 -2.4323 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5784 0.4710 -3.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4644 1.2631 -2.6441 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3468 0.3351 -2.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7620 0.1190 -1.2585 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1169 0.7611 -0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1292 1.5861 0.7034 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9174 0.9905 1.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8928 0.3870 0.3263 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7361 -0.0542 1.2738 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6272 -0.6700 0.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0813 0.3221 -0.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5501 1.5469 0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4356 1.2490 1.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3293 0.6405 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6190 1.4617 -0.3584 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1725 -0.6934 0.2076 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2403 -1.4378 -0.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1533 -1.5388 0.0761 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8535 -0.2415 0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1312 0.4208 -0.9187 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0081 1.8098 -0.8871 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.0974 2.8654 -0.2121 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1455 2.4051 -2.4714 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4012 1.8630 -0.0299 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3411 0.9009 -0.1551 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9661 0.6562 1.2280 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0685 1.2079 2.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0873 -0.7990 1.5440 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4106 -1.1116 2.7465 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4820 -1.3122 1.6905 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5951 -2.1214 2.8298 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8917 -2.0433 0.4455 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8303 -3.5268 0.7793 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6211 -4.1862 0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4429 -4.2666 -0.9701 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5664 -4.7819 1.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3783 -5.2567 0.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3094 -4.1562 0.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8740 -3.7437 1.5949 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4413 -3.3970 1.7224 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3416 -4.3172 2.1507 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0283 -2.1326 1.3845 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2446 -1.6203 -0.1028 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.9862 -0.8788 0.8045 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1778 -1.1031 -1.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2305 0.3284 -1.7714 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.4994 0.6342 -2.3332 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8532 1.3514 -0.7957 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.7878 2.5266 -0.9586 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5869 2.9491 0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5051 4.1166 -0.1795 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.7340 5.0881 -0.8580 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6504 3.7730 -1.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4724 2.6217 -0.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0546 2.9822 0.7972 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8532 1.7792 1.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9783 0.5516 1.3818 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4761 1.9974 -1.0413 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.3477 2.9900 -0.0815 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3578 1.1060 -1.2295 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6073 1.5219 -2.3616 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9847 -0.5944 3.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0304 0.9353 3.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5926 0.8722 2.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0733 -0.7295 2.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5447 0.8212 1.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6888 -0.2583 0.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2159 -1.7968 1.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2758 -2.0105 -0.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8710 -1.9517 -0.9414 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0863 0.5278 -0.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6512 0.4007 -1.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1899 -1.2650 -2.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7836 -1.2792 -3.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2108 0.0908 -4.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3984 1.2072 -3.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8864 1.7466 -1.7676 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1249 2.0624 -3.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9423 -0.2457 -3.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9543 -0.6561 -1.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1067 1.3238 -0.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4105 -0.0795 0.7092 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7162 2.0800 1.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8360 2.4948 0.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1747 0.1881 2.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3718 1.7759 1.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5401 1.1416 -0.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1838 -0.5236 -0.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4027 0.8031 1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1514 -0.8393 1.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8345 -1.0145 1.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0480 -1.5227 -0.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8290 0.5972 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2275 -0.1792 -1.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1678 2.2264 -0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3784 2.1222 0.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0462 2.1728 1.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7466 0.5307 1.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1591 -1.1116 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6426 -2.5021 -0.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7591 -2.2629 -0.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3026 0.3965 0.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8385 -0.4096 0.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9828 1.7074 -3.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8296 -0.0572 -0.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8731 1.2436 1.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4965 1.1242 3.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5454 -1.3753 0.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6408 -1.9943 3.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1473 -0.4551 1.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7393 -1.6171 3.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1580 -1.9074 -0.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7139 -4.0205 0.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8880 -3.7427 1.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2690 -4.0676 1.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0270 -5.6481 1.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7067 -5.4656 -0.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9229 -6.1884 0.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4858 -4.5479 -0.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8580 -3.3146 -0.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5241 -2.8692 1.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1776 -4.5479 2.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8312 -2.5961 -0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9657 -1.3505 1.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9957 -1.5976 -2.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2805 -1.6297 -1.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5492 0.4921 -2.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1466 0.1896 -1.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9400 1.0981 0.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8051 3.0468 -1.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5524 2.4088 0.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8405 4.5320 0.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8476 5.1948 -0.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3087 4.6532 -1.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2999 3.5579 -2.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7909 1.7553 -0.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3297 2.3862 -1.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2350 3.2275 1.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7720 3.8122 0.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6504 1.5984 0.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3231 2.0425 2.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3456 -0.0952 2.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9495 0.0131 0.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9247 0.7978 1.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6625 2.5730 -2.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4403 3.3376 0.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7179 0.1049 -1.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2812 1.5183 -3.1144 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 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 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 38 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 57 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 54 64 1 0 64 65 1 0 64 66 1 0 66 67 1 0 48 24 1 0 66 31 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 3 74 1 0 4 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 6 80 1 0 7 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 12 90 1 0 13 91 1 0 13 92 1 0 14 93 1 0 14 94 1 0 15 95 1 0 15 96 1 0 16 97 1 0 16 98 1 0 17 99 1 0 17100 1 0 18101 1 0 18102 1 0 19103 1 0 19104 1 0 23105 1 0 23106 1 0 24107 1 6 25108 1 0 25109 1 0 29110 1 0 31111 1 6 32112 1 6 33113 1 0 34114 1 6 35115 1 0 36116 1 1 37117 1 0 38118 1 6 39119 1 0 39120 1 0 42121 1 0 42122 1 0 43123 1 0 43124 1 0 44125 1 0 44126 1 0 45127 1 0 45128 1 0 49129 1 6 50130 1 0 51131 1 0 51132 1 0 52133 1 6 53134 1 0 54135 1 1 55136 1 0 56137 1 0 57138 1 1 58139 1 0 59140 1 0 59141 1 0 60142 1 0 60143 1 0 61144 1 0 61145 1 0 62146 1 0 62147 1 0 63148 1 0 63149 1 0 63150 1 0 64151 1 6 65152 1 0 66153 1 6 67154 1 0 M END