HMDB0295584 RDKit 3D DG(PGE1/16:0/0:0) 117117 0 0 0 0 0 0 0 0999 V2000 15.4780 0.7123 -0.9323 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9743 0.5587 -0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6101 -0.2544 0.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1212 -0.4173 0.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3871 0.8955 0.5837 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8872 0.5237 0.6688 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1473 1.7884 0.7812 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6888 1.7901 0.8953 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8293 1.2508 -0.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9390 -0.1445 -0.5843 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8298 -1.2699 0.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5844 -1.4844 1.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1288 -0.4756 2.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8566 -0.9075 2.7879 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7318 -1.1368 1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3193 0.0458 1.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7662 1.1991 1.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3843 -0.0470 0.0538 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9161 1.0170 -0.7199 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2972 0.8260 -2.1977 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7572 -0.3331 -2.7038 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5867 1.0474 -0.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1082 -0.1142 -1.2610 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0355 -1.3908 -0.8483 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4308 -1.6772 0.2095 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6364 -2.5582 -1.5688 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4186 -2.2147 -2.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5569 -1.3011 -2.7174 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7572 -1.5746 -1.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4833 -1.6017 -0.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7386 -1.8454 0.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8088 -0.8443 0.2169 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.9444 -1.2324 1.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9024 -1.9145 0.8128 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6860 -0.6145 2.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6018 0.4144 2.2035 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3543 -0.0756 2.6464 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5158 0.5452 0.7286 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.5424 1.4144 0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4168 2.1376 0.7792 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4349 2.9992 0.0755 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.8657 4.0515 -0.5949 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2988 2.1374 -0.8272 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0259 1.0793 -0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8694 0.2466 -0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6210 -0.8368 -0.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5400 -0.2424 0.8368 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9234 -0.2251 -0.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8097 1.5956 -0.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7276 0.7613 -2.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5403 1.5713 -0.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5918 0.0049 -1.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0328 0.1615 1.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0301 -1.2817 0.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8197 -1.0500 1.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7611 -0.8954 -0.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6669 1.4899 1.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5596 1.4618 -0.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8053 -0.0150 1.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7262 -0.1147 -0.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5145 2.4627 -0.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5615 2.3273 1.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3467 1.3792 1.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3800 2.8838 1.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1015 1.8962 -1.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7899 1.6034 -0.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0341 -0.2934 -1.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7698 -0.3123 -1.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9445 -2.2150 -0.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7487 -1.3965 0.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7418 -1.6741 0.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5907 -2.4766 1.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9092 0.5042 1.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8976 -0.2750 2.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1036 -1.8054 3.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6093 -0.0759 3.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9426 -1.9952 1.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8209 -1.4356 2.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3666 1.9874 -0.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9168 1.6987 -2.7548 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4013 0.7967 -2.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3377 -0.8401 -3.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9908 1.9721 -1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8845 1.0367 0.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 -3.2828 -0.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -3.0738 -1.9909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 -1.7884 -3.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 -3.1996 -3.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1648 -0.2645 -2.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9581 -1.1548 -3.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1385 -2.6083 -2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6149 -0.8916 -2.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9461 -0.6887 -0.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8372 -2.4621 -0.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4557 -2.0660 1.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1526 -2.8189 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1566 -0.8397 -0.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3147 -1.3719 3.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5791 -0.0839 2.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7544 1.3319 2.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2199 0.0700 3.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5364 0.9265 0.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5743 1.4571 -1.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3693 2.0865 1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0977 3.4008 0.8674 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4101 4.2178 -1.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0661 2.7923 -1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6975 1.6328 -1.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6838 1.5319 0.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2456 0.4517 0.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2582 -0.2302 -1.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6155 0.8738 -1.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2560 -1.3938 -0.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9226 -1.5327 0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1654 -1.0825 1.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9441 0.1626 1.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2220 0.5087 0.4312 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 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 19 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 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 38 32 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 3 54 1 0 4 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 6 60 1 0 7 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 9 66 1 0 10 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 19 79 1 1 20 80 1 0 20 81 1 0 21 82 1 0 22 83 1 0 22 84 1 0 26 85 1 0 26 86 1 0 27 87 1 0 27 88 1 0 28 89 1 0 28 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 6 35 98 1 0 35 99 1 0 36100 1 1 37101 1 0 38102 1 1 39103 1 0 40104 1 0 41105 1 1 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 47116 1 0 47117 1 0 M END