HMDB0285885 RDKit 3D PC(PGE1/15:0) 136136 0 0 0 0 0 0 0 0999 V2000 3.1078 3.6784 0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6390 3.1909 1.3904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4799 3.7091 2.5196 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9851 3.2092 3.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 3.6243 4.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3968 5.1046 4.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0419 5.4572 4.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2398 6.9472 4.5103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6145 7.3650 4.8496 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7184 6.9059 3.9741 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6208 7.2904 2.5347 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8712 6.7845 1.8293 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8404 7.1020 0.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6743 6.4140 -0.3351 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7895 4.9503 -0.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8026 4.3444 0.2478 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7744 4.1413 -0.6939 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8317 2.7286 -0.6383 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8719 2.1488 0.3802 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9821 0.7368 0.3679 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 0.0016 1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5004 0.6020 2.0992 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3219 -1.4962 1.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5032 -1.9887 2.4218 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5525 -3.5025 2.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1784 -4.0648 1.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2761 -5.5592 1.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9204 -6.2448 0.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4249 -6.2284 -1.1742 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0660 -6.7741 -1.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7335 -7.2434 -0.6765 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1278 -6.6241 -2.9149 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8724 -5.5302 -3.3298 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1877 -4.6062 -4.0740 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3566 -4.9706 -1.9776 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6832 -4.3419 -2.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3681 -4.0840 -3.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6979 -3.4477 -3.1443 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4835 -2.0874 -3.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4832 -3.5833 -1.8861 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8166 -2.8735 -2.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6641 -2.9733 -0.8215 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0054 -2.3565 0.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7052 -0.8893 0.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6850 2.0413 -1.9431 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6924 2.4189 -2.8486 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4524 1.5918 -4.3066 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.3502 2.2243 -5.3355 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8244 1.7169 -4.7316 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.7835 -0.0675 -4.1276 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1711 -0.2839 -4.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4172 -1.7663 -4.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8190 -2.0867 -4.2421 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.3694 -1.7068 -5.5247 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9413 -3.5434 -4.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6363 -1.4997 -3.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6427 4.6435 0.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7431 2.9228 -0.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2227 3.8250 -0.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5942 3.5373 1.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6967 2.0774 1.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5215 4.8359 2.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5182 3.3340 2.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6251 3.4629 4.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9606 2.0872 3.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8345 3.1373 3.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3561 3.2458 5.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9945 5.5074 5.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7708 5.6219 3.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3032 4.9638 5.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6895 5.0393 3.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4399 7.3580 5.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1213 7.3178 3.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8468 6.9619 5.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7152 8.4761 4.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6597 7.3954 4.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9211 5.8162 4.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6334 8.4030 2.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6925 6.9398 2.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1013 5.7339 2.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7332 7.3770 2.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7950 6.7487 -0.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7428 8.1778 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7421 6.8446 0.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7469 6.7125 -1.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8528 2.4792 -0.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0612 2.5034 1.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1788 2.3504 0.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0518 -1.8466 0.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3605 -1.7982 1.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0902 -1.6061 3.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5604 -1.6505 2.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2496 -3.7463 3.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4175 -3.9702 2.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4435 -3.8238 0.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1234 -3.5678 1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2971 -6.0162 1.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9287 -5.7600 2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1178 -7.3560 0.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0137 -5.8685 0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0937 -6.9172 -1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1545 -6.3688 -3.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2371 -7.5601 -3.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6984 -5.9455 -3.9289 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6756 -5.0015 -4.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5628 -4.2548 -1.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1574 -4.0553 -1.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9210 -4.3571 -4.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3037 -3.9137 -3.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8296 -1.9918 -4.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7189 -4.6356 -1.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9260 -3.1588 -1.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7069 -1.8306 -2.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3551 -3.4130 -2.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5859 -2.3936 -1.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9622 -4.0002 -0.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0709 -2.8812 0.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6938 -2.4699 1.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2521 -0.4082 -0.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0127 -0.3177 1.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5995 -0.7048 0.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8920 0.9471 -1.7533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6933 2.1001 -2.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6556 0.2993 -3.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5439 0.0862 -5.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8687 -2.2975 -4.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0866 -2.1157 -3.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4311 -0.6083 -5.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8526 -2.1614 -6.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4388 -2.0645 -5.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7992 -3.9893 -5.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8944 -3.8493 -3.6463 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1008 -3.9147 -3.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5206 -2.1769 -3.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0630 -1.4608 -2.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0517 -0.5107 -3.5105 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 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 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 2 0 30 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 18 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 53 56 1 0 35 29 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 6 69 1 0 7 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 9 75 1 0 10 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 18 86 1 1 19 87 1 0 19 88 1 0 23 89 1 0 23 90 1 0 24 91 1 0 24 92 1 0 25 93 1 0 25 94 1 0 26 95 1 0 26 96 1 0 27 97 1 0 27 98 1 0 28 99 1 0 28100 1 0 29101 1 6 32102 1 0 32103 1 0 33104 1 6 34105 1 0 35106 1 1 36107 1 0 37108 1 0 38109 1 6 39110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 54128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 56136 1 0 M CHG 2 49 -1 53 1 M END