HMDB0284466 RDKit 3D PE(24:0/PGE2) 152152 0 0 0 0 0 0 0 0999 V2000 3.8103 4.1560 5.9966 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8895 4.5700 4.5452 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2400 3.3620 3.7022 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3496 3.6422 2.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2457 4.1968 1.4819 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9714 3.4744 1.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2111 3.3256 2.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1268 2.5397 2.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7324 2.5310 3.7291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0010 1.8214 3.9575 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9524 0.3171 3.6993 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8533 -0.2943 4.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8468 -1.7943 4.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3211 -2.4064 5.1289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -1.9309 4.5809 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1088 -2.4102 3.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2696 -2.4466 2.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0937 -2.8532 0.8217 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0217 -1.7484 0.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8183 -2.2190 -0.7856 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5991 -1.0907 -1.4034 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5218 -0.3485 -0.5415 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1947 0.8387 -1.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2136 1.8776 -1.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6968 3.0226 -1.8696 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8823 1.6985 -1.7986 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9480 2.6300 -2.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5690 1.9714 -2.2945 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5806 1.0893 -3.5607 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 0.4902 -3.7043 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3265 -0.4595 -5.1058 P 0 0 0 0 0 5 0 0 0 0 0 0 1.0686 0.2617 -6.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0599 -1.9522 -4.8051 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2689 -0.6515 -5.6330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5647 0.3622 -6.5467 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9812 0.2311 -7.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1930 1.3223 -7.9949 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5402 2.9117 -2.5584 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5844 2.8726 -1.7208 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5998 2.0208 -0.8176 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6512 3.8301 -1.9606 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7959 3.8264 -1.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6017 2.5841 -0.9104 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1728 2.2244 -2.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9882 1.0846 -2.8646 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1724 -0.0041 -2.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9554 -1.2909 -2.1399 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0604 -1.1222 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0732 -0.4294 -0.1974 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1959 -1.9435 -1.6546 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0601 -1.8427 -3.1622 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6413 -0.6679 -3.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5276 -1.8421 -3.3791 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1810 -3.2643 -3.6364 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5026 -3.5796 -4.7221 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1429 -4.9650 -5.0195 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8387 -5.0465 -6.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0056 -5.5323 -4.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2131 -5.5507 -2.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -6.2071 -2.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0807 -6.3066 -0.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2296 -4.9571 -0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7936 4.1741 6.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1825 3.1033 6.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4228 4.8310 6.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8988 4.9573 4.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7047 5.3250 4.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7162 2.4899 4.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3418 3.1435 4.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3049 4.2682 2.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6564 2.6606 1.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6650 4.3935 0.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0396 5.2966 1.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1694 2.4922 0.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2772 4.0002 0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6572 2.8465 3.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8822 4.3428 2.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0768 1.5879 1.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6879 3.1848 1.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 3.6183 3.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0238 2.2235 4.5257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2976 1.9536 5.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7942 2.2233 3.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7805 0.0463 2.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9186 -0.0954 4.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1014 0.1972 4.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1558 -0.1313 5.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8403 -2.0967 3.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8135 -2.2224 4.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2222 -3.5138 4.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2031 -2.2549 6.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3824 -2.2431 5.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6662 -0.8040 4.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6668 -3.4050 3.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9919 -1.7179 3.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7527 -1.5248 1.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4841 -3.2728 2.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3932 -3.1090 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6436 -3.8020 1.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7100 -1.4569 1.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3787 -0.8788 0.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1052 -2.6263 -1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4577 -3.0525 -0.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1631 -1.5998 -2.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9095 -0.4298 -1.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -0.0649 0.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 -1.0469 -0.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9199 1.2363 -0.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7802 0.5524 -2.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2012 2.9528 -3.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8809 3.5015 -1.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3463 1.3155 -1.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4497 0.4419 -3.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 1.8415 -4.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0007 -1.9747 -5.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4969 1.3241 -5.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8867 0.2946 -7.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7425 0.2592 -6.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0999 -0.7203 -7.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3568 2.2340 -7.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9098 1.1268 -8.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 4.8598 -2.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0922 3.7341 -3.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3903 4.1409 -0.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5155 4.6694 -1.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0268 1.7923 -0.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5049 2.8693 -0.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8248 2.9661 -2.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4715 0.9658 -3.8215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5771 0.1813 -1.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4312 -0.2686 -3.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2477 -2.0309 -1.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0277 -3.0133 -1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1811 -1.6081 -1.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5214 -2.6862 -3.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1650 -0.7941 -4.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3803 -1.2144 -4.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4867 -4.0330 -2.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1921 -2.7906 -5.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0410 -5.6531 -4.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6411 -4.6854 -6.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 -6.5881 -4.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0279 -5.0324 -4.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1305 -6.0907 -2.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2781 -4.4943 -2.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9729 -7.2502 -2.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0651 -5.6734 -2.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1524 -6.8015 -0.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9684 -6.9508 -0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6764 -4.1613 -0.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8441 -5.0067 1.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3206 -4.6785 -0.0161 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 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 1 0 31 32 2 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 28 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 56 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 53 47 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 6 75 1 0 7 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 9 81 1 0 10 82 1 0 10 83 1 0 11 84 1 0 11 85 1 0 12 86 1 0 12 87 1 0 13 88 1 0 13 89 1 0 14 90 1 0 14 91 1 0 15 92 1 0 15 93 1 0 16 94 1 0 16 95 1 0 17 96 1 0 17 97 1 0 18 98 1 0 18 99 1 0 19100 1 0 19101 1 0 20102 1 0 20103 1 0 21104 1 0 21105 1 0 22106 1 0 22107 1 0 23108 1 0 23109 1 0 27110 1 0 27111 1 0 28112 1 1 29113 1 0 29114 1 0 33115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 45129 1 0 46130 1 0 46131 1 0 47132 1 1 50133 1 0 50134 1 0 51135 1 6 52136 1 0 53137 1 6 54138 1 0 55139 1 0 56140 1 6 57141 1 0 58142 1 0 58143 1 0 59144 1 0 59145 1 0 60146 1 0 60147 1 0 61148 1 0 61149 1 0 62150 1 0 62151 1 0 62152 1 0 M END