HMDB0273771 RDKit 3D PGP(PGE2/20:4(8Z,11Z,14Z,17Z)) 140140 0 0 0 0 0 0 0 0999 V2000 -0.6655 -1.9016 7.9012 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4131 -2.8273 7.2782 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 -2.0309 7.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2391 -1.8632 5.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8004 -2.4521 4.7021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9543 -3.2908 4.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6407 -3.0613 3.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3716 -1.9435 2.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2617 -2.3520 0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2697 -2.2462 0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9531 -1.6615 0.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0407 -2.6850 -0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9664 -2.3461 -0.9396 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9383 -0.9642 -1.4565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2523 -0.2678 -1.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2993 -0.7472 -2.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6160 -0.0805 -1.8163 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1884 -0.8159 -0.6562 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3844 -0.0775 -0.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8615 1.0950 0.6894 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6645 1.9336 1.1504 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5055 1.1582 0.8885 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8890 2.1071 1.6972 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9830 3.1071 1.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 2.7876 0.4515 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0205 3.8797 0.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3427 5.0225 0.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2006 3.8572 -0.6292 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2426 4.7520 -0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4936 4.9251 -0.8232 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2209 3.7330 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4881 3.4585 -2.4946 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0883 4.3130 -3.6011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1690 3.6834 -4.6447 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8616 4.7936 -5.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0394 5.9793 -5.4907 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3119 4.0520 -6.8137 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2566 2.8650 -6.8905 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2330 3.1573 -7.8457 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8444 2.6934 -5.5001 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7585 1.2726 -5.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1719 0.7435 -4.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1739 -0.7038 -3.8076 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0079 -1.2244 -4.4341 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3173 -1.4596 -4.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.0586 -3.9362 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9198 -1.2032 -2.4549 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3662 -0.7513 -2.2256 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6388 -0.9021 -0.7657 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5243 1.3590 2.9896 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7162 0.2463 2.7230 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6030 -0.5572 4.2352 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.0036 -0.9830 4.6714 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9651 0.5394 5.3419 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6346 -1.9126 4.1895 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3024 -2.9008 3.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5148 -4.1697 3.3611 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3436 -4.6880 4.6775 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1353 -5.2745 2.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3776 -5.0307 1.2506 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0585 -6.4353 0.5320 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.0275 -7.5668 0.5912 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4388 -6.9399 1.3201 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3276 -6.0980 -1.0873 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 -1.0011 7.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6169 -2.4588 8.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 -1.6109 8.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0502 -3.2014 6.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5859 -3.6405 8.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0594 -1.5448 8.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1586 -1.2514 5.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 -3.2030 4.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5497 -1.6482 4.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1806 -4.1460 4.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4984 -3.7512 2.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3243 -1.2942 2.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5963 -1.2341 2.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1879 -2.8265 0.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3761 -2.6016 -0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 -0.6756 0.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8353 -1.6429 1.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0761 -3.6925 0.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7088 -3.0383 -1.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9613 -1.1340 -2.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0751 -0.3597 -1.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6020 -0.4668 -0.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0656 0.8318 -1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4337 -1.8276 -2.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0246 -0.3771 -3.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3423 -0.0851 -2.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3811 0.9557 -1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4840 -0.9673 0.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5036 -1.8671 -0.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0657 0.2310 -0.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9066 -0.7389 0.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8117 2.7284 2.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5814 3.8445 0.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6712 3.7707 2.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6247 2.8111 -0.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0343 4.0223 -1.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8569 5.7831 0.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 4.3677 0.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 5.5252 -0.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2773 5.6679 -1.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5616 3.0410 -0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0463 2.5323 -2.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7516 5.3286 -3.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0529 4.5286 -4.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2067 3.4110 -4.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3021 3.6710 -6.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2695 4.6478 -7.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6853 1.9571 -7.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8647 3.8545 -8.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9408 2.9825 -5.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2858 0.5923 -5.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6573 1.4114 -3.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0429 -0.9566 -2.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 -2.2075 -4.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2860 -1.3859 -5.5013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1174 -2.5532 -4.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9339 -0.0193 -4.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4082 -1.7787 -4.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7836 -2.2545 -2.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3118 -0.4971 -1.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0493 -1.4210 -2.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4220 0.3027 -2.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0323 -0.1906 -0.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3789 -1.9661 -0.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7368 -0.8170 -0.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0608 1.9895 3.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4682 0.9537 3.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4786 0.4015 6.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4593 -2.4990 2.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2716 -3.1052 3.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4896 -4.0202 2.9673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6013 -5.3476 4.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1468 -5.5537 3.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5561 -6.2304 2.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3651 -7.8886 1.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1046 -6.6566 -1.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 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 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 23 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 59 60 1 0 60 61 1 0 61 62 2 0 61 63 1 0 61 64 1 0 40 34 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 23 96 1 1 24 97 1 0 24 98 1 0 28 99 1 0 28100 1 0 29101 1 0 29102 1 0 30103 1 0 30104 1 0 31105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 1 37110 1 0 37111 1 0 38112 1 6 39113 1 0 40114 1 6 41115 1 0 42116 1 0 43117 1 1 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 49127 1 0 49128 1 0 49129 1 0 50130 1 0 50131 1 0 54132 1 0 56133 1 0 56134 1 0 57135 1 6 58136 1 0 59137 1 0 59138 1 0 63139 1 0 64140 1 0 M END