HMDB0299404 RDKit 3D DG(i-17:0/6 keto-PGF1alpha/0:0) 121121 0 0 0 0 0 0 0 0999 V2000 14.6706 3.7046 -0.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7231 2.9992 0.6457 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2677 3.1779 0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0773 2.6182 -1.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7081 2.7420 -1.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6184 2.0704 -0.9859 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4484 2.5116 0.3055 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8313 0.5793 -0.9526 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2418 -0.0146 0.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4466 -1.4577 0.2111 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9086 -1.7828 0.6168 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7954 -1.3698 -0.3765 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8545 -3.2716 0.7673 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4333 -3.6312 1.0998 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8877 -4.3339 0.0222 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6770 -2.2871 1.1618 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2354 -2.4938 0.9592 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4091 -1.2718 1.0276 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8206 -0.1816 1.3448 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9320 -1.3626 0.6801 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3230 -0.0181 0.8098 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8374 -0.0193 0.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0758 -0.9239 1.4105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6142 -0.9401 1.0775 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8657 0.0016 1.4016 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0612 -2.0149 0.3964 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3003 -2.1413 0.0385 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3623 -2.1565 -1.4965 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1507 -0.9965 -2.0492 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 -3.4610 0.5042 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1735 -3.7088 0.1722 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3028 -3.0034 0.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1343 -1.9737 1.2237 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6418 -3.4146 0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7268 -2.5456 0.5662 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6582 -1.1504 0.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8448 -0.3884 0.6481 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8439 1.0042 0.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0065 1.8044 0.7035 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3224 1.1076 0.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6083 0.9998 -1.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8388 0.2509 -1.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1256 0.7090 -0.8668 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5946 2.0736 -1.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9451 2.3878 -0.5602 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0196 1.4273 -0.9483 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3016 1.8386 -0.2127 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6721 3.2255 -0.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3969 0.8370 -0.4903 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9909 2.9967 -1.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1429 4.6010 -0.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5492 4.0906 0.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9170 1.9006 0.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7654 3.3220 1.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6686 2.6608 0.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1151 4.2797 0.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7604 3.2090 -1.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4803 1.5746 -1.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4596 3.8280 -1.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7495 2.3933 -2.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6665 2.1898 -1.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3159 3.4801 0.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6708 -0.0480 -1.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4055 0.6213 1.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3712 -1.8933 -0.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0913 -1.2854 1.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2541 -2.2051 -0.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5326 -3.6321 1.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1645 -3.7155 -0.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3042 -4.2239 2.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0559 -4.7917 0.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8414 -1.8883 2.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0490 -3.0376 -0.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8721 -3.1829 1.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5248 -2.1211 1.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8483 -1.7856 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7854 0.6379 0.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5095 0.4569 1.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4898 1.0256 0.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6344 -0.3092 -0.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4896 -1.9309 1.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1341 -0.4729 2.4448 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8522 -1.2626 0.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2084 -3.0290 -1.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3984 -2.2796 -1.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5086 -0.2725 -2.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7126 -3.4628 1.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 -4.2700 0.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6415 -3.5001 -1.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7638 -4.4809 0.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7111 -2.5417 1.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7386 -2.9774 0.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7179 -0.6600 0.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8824 -1.1831 -1.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7070 -0.3613 1.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7425 -0.9692 0.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9182 1.5117 0.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8722 1.0545 -0.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0216 2.7732 0.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9268 1.9806 1.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3996 0.1672 0.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1187 1.7866 0.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7525 0.5106 -1.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6758 2.0194 -1.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7095 -0.8210 -1.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9458 0.1757 -2.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2243 0.5190 0.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9087 -0.0028 -1.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7572 2.1773 -2.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8889 2.8176 -0.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2083 3.4114 -0.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7624 2.4387 0.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1916 1.5047 -2.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7736 0.3747 -0.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1051 1.7924 0.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4210 3.9586 0.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1850 3.4857 -1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7683 3.2734 -0.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8714 1.1115 -1.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1299 0.9152 0.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9717 -0.1856 -0.5656 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 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 27 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 32 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 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 47 49 1 0 16 10 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 6 7 62 1 0 8 63 1 0 9 64 1 0 10 65 1 6 11 66 1 1 12 67 1 0 13 68 1 0 13 69 1 0 14 70 1 1 15 71 1 0 16 72 1 1 17 73 1 0 17 74 1 0 20 75 1 0 20 76 1 0 21 77 1 0 21 78 1 0 22 79 1 0 22 80 1 0 23 81 1 0 23 82 1 0 27 83 1 1 28 84 1 0 28 85 1 0 29 86 1 0 30 87 1 0 30 88 1 0 34 89 1 0 34 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 48116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 49121 1 0 M END