HMDB0263566 RDKit 3D PA(PGE1/17:0) 125125 0 0 0 0 0 0 0 0999 V2000 14.5366 0.7380 -1.7092 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7429 -0.5678 -1.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6547 -0.8453 -0.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9057 -2.0896 0.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4432 -1.9998 -0.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7089 -3.2188 0.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3407 -3.5022 -0.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1400 -2.7504 -0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7186 -1.4818 -0.5832 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5066 -0.2633 -0.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8508 0.9896 -0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7013 1.5516 -0.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4648 0.8104 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4785 1.7864 0.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1179 2.9540 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4334 2.6025 -1.3823 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1528 1.9268 -1.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4153 1.5186 -2.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6958 1.7078 0.1316 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4498 1.0561 0.4035 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4826 1.9670 1.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6973 1.4526 1.4753 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0279 0.5603 2.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1202 0.0935 3.1706 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4142 0.0987 2.7179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7361 -1.1802 2.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6421 -1.1037 0.5191 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6035 -0.0175 -0.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9601 -0.4073 0.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0976 0.3964 -0.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0945 1.8186 0.1977 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1179 2.7361 -0.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1707 2.6514 -1.0548 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5770 4.0985 0.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0603 3.9716 0.2969 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.7399 4.9354 -0.4520 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3911 2.5727 -0.1674 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.5346 2.0063 0.5997 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5528 1.4912 -0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6920 0.9279 0.7192 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.7190 1.8654 0.6655 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1735 -0.3682 0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0991 -1.4188 0.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6601 -2.6908 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1790 -2.5225 -1.8753 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1303 -2.0587 -2.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6944 -0.2792 0.9971 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5065 -0.9739 0.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8484 -2.5178 0.6520 P 0 0 0 0 0 5 0 0 0 0 0 0 2.6141 -2.3250 1.9383 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4565 -3.4250 0.8756 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8148 -3.3254 -0.4829 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1392 1.3930 -0.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3378 1.2212 -2.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6197 0.5569 -1.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3609 -1.3560 -2.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7839 -0.4090 -2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6847 -0.9421 0.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2189 0.0543 0.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3876 -2.9755 -0.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8531 -2.1833 1.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4351 -1.8307 -1.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9816 -1.1475 0.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7494 -3.2588 1.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3694 -4.1288 -0.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3654 -3.7609 -1.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1149 -4.6021 0.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0545 -2.6783 1.1565 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2198 -3.4801 -0.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5984 -1.3255 -0.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7485 -1.6865 -1.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4088 -0.3720 -1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9496 -0.0982 0.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6443 1.8048 -1.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6622 0.7965 -2.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9941 2.0660 0.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3834 2.4660 -0.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9393 0.3566 -0.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5579 0.0221 0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6284 1.1770 1.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9981 2.1325 1.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3499 3.5440 0.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9354 3.6968 -0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0955 1.8714 -1.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3084 3.5177 -2.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 0.8507 -0.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 2.8942 0.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0063 2.3935 2.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5021 -0.0751 3.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1452 0.9066 2.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6796 -1.6132 2.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9394 -1.9169 2.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0057 -2.0616 0.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6242 -0.9093 0.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3987 0.0580 -1.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2623 0.9486 0.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9630 -0.3169 1.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1421 -1.5206 0.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1808 0.1892 -1.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0374 -0.1160 0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0302 1.9810 1.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0583 4.3065 1.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3528 4.9006 -0.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3048 4.0896 1.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5797 5.1401 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5527 2.5808 -1.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5142 2.0258 1.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5760 1.4693 -1.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3876 0.7284 1.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5690 2.6228 1.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4202 -0.1507 -0.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1091 -0.7236 0.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2524 -1.1240 -0.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6592 -1.5584 1.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5326 -2.9803 0.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8704 -3.4959 -0.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5409 -3.5187 -2.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0339 -1.8246 -1.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1066 -2.3357 -2.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2536 -2.5452 -3.8406 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1884 -0.9625 -3.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 -0.8704 0.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2123 -0.3201 1.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5577 -4.0639 1.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3099 -3.4758 -1.3196 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 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 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 1 0 32 33 2 0 32 34 1 0 34 35 1 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 37 31 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 6 65 1 0 7 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 9 71 1 0 10 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 20 86 1 6 21 87 1 0 21 88 1 0 25 89 1 0 25 90 1 0 26 91 1 0 26 92 1 0 27 93 1 0 27 94 1 0 28 95 1 0 28 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 31101 1 1 34102 1 0 34103 1 0 35104 1 1 36105 1 0 37106 1 6 38107 1 0 39108 1 0 40109 1 1 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 51124 1 0 52125 1 0 M END