HMDB0283911 RDKit 3D PE(PGE1/22:1(13Z)) 146146 0 0 0 0 0 0 0 0999 V2000 -1.0285 2.6483 3.7858 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0921 1.8544 3.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2076 1.4270 1.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9742 0.6692 1.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9006 0.1644 -0.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2287 -0.8006 -0.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2033 -1.2546 -1.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2908 -2.2951 -2.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0493 -2.5903 -3.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6953 -3.7799 -4.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 -4.9455 -3.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9291 -5.2316 -2.9434 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7400 -5.5268 -4.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2074 -5.4314 -3.7362 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6643 -6.4435 -2.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9350 -5.8618 -2.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3808 -4.7241 -1.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6557 -5.3117 -0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8478 -4.3065 0.7705 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4163 -4.8907 2.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4492 -4.0681 2.8525 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0477 -4.1402 2.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3548 -5.1713 1.7713 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9489 -3.2397 2.7343 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2945 -3.4781 2.4054 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9791 -2.7057 1.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0394 -1.3115 1.5349 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7925 -0.5553 0.6258 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3891 -1.2233 -0.2832 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9197 0.9154 0.6625 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8904 1.3894 -0.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9817 2.8860 -0.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6474 3.5297 -0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7747 5.0469 -0.6889 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4691 5.7212 -1.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0132 5.3660 -2.3789 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9172 5.7563 -3.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1007 5.9413 -3.4192 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0796 5.8809 -4.6969 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 5.6995 -4.2480 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2537 6.4439 -4.9565 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7402 6.1157 -2.7752 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4311 5.6327 -2.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1155 6.4532 -1.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 6.0060 -0.4703 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3715 5.6412 -1.2871 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7374 7.1326 0.4409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9383 6.7661 1.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6884 5.5768 2.1551 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9386 5.2399 2.9689 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0758 4.9184 2.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0952 -3.3944 3.6922 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6472 -4.3255 4.6035 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5688 -4.2378 6.0393 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.1134 -5.6099 6.3122 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8650 -3.1629 5.7787 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5514 -3.6912 7.2606 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2273 -3.6057 6.8253 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3099 -3.0924 7.9168 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3312 -3.9648 9.0728 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8307 2.6726 4.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0161 3.7289 3.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 2.2112 3.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2722 0.9654 3.8058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0087 2.4858 3.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1271 0.8076 1.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3764 2.3723 1.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8518 1.3686 1.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1736 -0.1402 1.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8645 -0.3309 -0.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8166 1.0124 -0.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2150 -0.3196 -0.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1581 -1.6393 0.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1696 -0.4411 -2.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7539 -1.8412 -1.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0915 -3.1276 -1.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2999 -1.9191 -2.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1902 -1.7466 -4.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5281 -3.9092 -5.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9501 -5.8335 -3.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1056 -4.9184 -2.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4093 -4.4079 -2.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0908 -6.1392 -2.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6009 -6.5452 -4.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5521 -4.7709 -4.9414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7775 -5.5563 -4.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3887 -4.3709 -3.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9610 -6.8561 -2.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1025 -7.3129 -3.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3297 -6.6328 -1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5611 -5.4515 -2.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3112 -4.2055 -0.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7847 -3.9996 -1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4581 -5.6584 0.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0850 -6.2379 -0.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9442 -3.9601 0.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4408 -3.3884 0.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0855 -5.9574 1.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3487 -4.9885 2.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7699 -2.9941 2.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4621 -4.3539 3.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3718 -4.5996 2.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0552 -3.0561 1.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4279 -2.9017 0.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9139 1.3029 0.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2765 1.2463 1.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8626 0.8982 -0.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5642 1.0191 -1.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3106 3.2165 0.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7280 3.2612 -1.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3314 3.2456 -1.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9341 3.2204 0.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6325 5.4092 -1.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9578 5.2854 0.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7229 5.3112 -0.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5292 6.8231 -0.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8469 4.2647 -2.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3924 5.0543 -5.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2002 6.8485 -5.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4126 4.6080 -4.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1406 6.2993 -4.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9395 7.1788 -2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7267 4.5986 -2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8004 7.4857 -1.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0529 5.1157 0.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7589 4.7597 -1.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9734 8.0548 -0.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9227 7.4117 1.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1963 7.6739 1.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7869 6.5724 0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4729 4.7013 1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8758 5.8286 2.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7504 4.3516 3.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2031 6.1061 3.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7217 4.1391 2.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6359 5.8330 1.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6817 4.4891 1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9486 -2.3353 4.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1901 -3.5911 3.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5400 -2.2336 5.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1394 -3.0223 5.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -4.6479 6.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5624 -2.0857 8.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7328 -3.1371 7.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 -4.1417 9.4514 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8986 -3.5351 9.8613 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 2 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 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 25 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 42 36 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 6 73 1 0 7 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 12 83 1 0 13 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 15 89 1 0 16 90 1 0 16 91 1 0 17 92 1 0 17 93 1 0 18 94 1 0 18 95 1 0 19 96 1 0 19 97 1 0 20 98 1 0 20 99 1 0 21100 1 0 21101 1 0 25102 1 6 26103 1 0 26104 1 0 30105 1 0 30106 1 0 31107 1 0 31108 1 0 32109 1 0 32110 1 0 33111 1 0 33112 1 0 34113 1 0 34114 1 0 35115 1 0 35116 1 0 36117 1 1 39118 1 0 39119 1 0 40120 1 1 41121 1 0 42122 1 6 43123 1 0 44124 1 0 45125 1 1 46126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 51137 1 0 52138 1 0 52139 1 0 56140 1 0 58141 1 0 58142 1 0 59143 1 0 59144 1 0 60145 1 0 60146 1 0 M END