HMDB0285091 RDKit 3D PE(PGE2/DiMe(9,5)) 135136 0 0 0 0 0 0 0 0999 V2000 15.4514 1.8034 -0.4735 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3757 1.9831 -1.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6622 0.6531 -1.6176 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5726 0.5631 -2.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9009 -0.7805 -2.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2449 -1.1607 -1.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9641 -1.0329 -1.1388 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6052 -1.4182 0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2179 -1.3357 0.5308 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8977 0.1144 0.8462 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0941 0.9414 -0.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2750 0.4186 -1.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8322 0.4105 -1.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2313 1.8071 -1.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8193 1.5333 -0.8428 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8724 2.7351 -0.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5527 1.9906 -0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2116 1.7119 0.6688 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8026 1.6328 -1.5959 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2739 0.8427 -1.4826 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5897 1.2544 -0.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2008 0.0576 -0.5969 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3448 -0.4076 -0.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2236 0.4733 0.1379 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5675 -1.8401 0.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8157 -2.5257 0.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9891 -2.2534 0.9074 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9458 -2.2389 2.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3792 -1.1003 3.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8293 -0.0203 2.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2704 0.2275 2.0285 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.0948 0.7167 3.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0686 0.5407 4.2678 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1325 1.5977 2.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3889 2.0865 1.1338 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.4336 3.0504 1.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6774 0.8679 0.6907 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.4979 -0.1682 0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7287 -0.0673 -0.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4382 -1.1889 -1.0496 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.5650 -1.5872 -0.3866 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4800 -1.0831 -2.5054 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0219 0.0595 -3.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2993 0.6859 -3.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1191 1.1944 -2.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7322 0.2905 -1.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0597 -0.6105 -0.9089 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6358 -0.4888 0.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5742 -2.0363 1.1415 P 0 0 0 0 0 5 0 0 0 0 0 0 0.0220 -3.0186 0.2068 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0869 -2.4267 1.6698 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5383 -1.6059 2.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1152 -1.6445 3.6202 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2001 -0.1988 4.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4908 0.3964 4.0704 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7378 -1.8668 0.7037 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 -2.4444 2.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7854 -1.6891 -0.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1630 -2.0877 0.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2259 1.1156 -0.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9576 1.2424 0.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8493 2.7582 -0.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7970 2.2161 -2.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7019 2.7715 -1.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2387 0.4962 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4204 -0.1267 -1.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7906 1.3512 -2.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9036 0.7832 -3.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6328 -1.5299 -3.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0709 -0.6875 -3.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1480 -1.8724 1.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5137 -1.8198 -0.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8774 0.2761 1.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6672 0.4747 1.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1695 1.0711 -0.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7194 1.9567 -0.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5389 1.0461 -2.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5461 -0.6297 -1.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5097 -0.3059 -0.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3337 0.0899 -2.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3619 2.3913 -1.9792 H 0 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0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 20 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 8 56 2 0 56 57 1 0 56 58 1 0 58 59 1 0 58 6 2 0 37 31 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 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 20 87 1 6 21 88 1 0 21 89 1 0 25 90 1 0 25 91 1 0 26 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 6 34101 1 0 34102 1 0 35103 1 6 36104 1 0 37105 1 6 38106 1 0 39107 1 0 40108 1 6 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 51123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 55128 1 0 55129 1 0 57130 1 0 57131 1 0 57132 1 0 59133 1 0 59134 1 0 59135 1 0 M END