HMDB0276952 RDKit 3D PI(PGE1/18:3(9Z,12Z,15Z)) 143144 0 0 0 0 0 0 0 0999 V2000 16.3645 -0.0239 -1.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1877 -0.8026 -1.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5432 0.0223 -0.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2952 0.3888 -0.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3653 0.0445 -1.4767 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8675 1.3005 -2.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6218 1.6417 -2.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5398 0.7996 -1.5659 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8559 1.6229 -0.5416 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7897 1.3046 0.7147 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3483 0.1348 1.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5640 -0.7885 2.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4947 -1.6917 1.8845 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1306 -1.5676 1.4392 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6094 -1.2153 0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8417 0.0704 -0.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4376 1.3027 0.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9656 1.3316 0.4862 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4509 2.2982 1.1184 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1643 0.3131 0.0718 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7687 0.2715 0.3137 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4255 -0.8575 1.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8869 -0.6827 2.5415 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7140 0.1030 3.5915 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4622 1.1215 3.8369 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 -0.0949 4.6185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1333 1.1831 5.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1567 1.7018 4.6375 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3525 0.8221 4.9349 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6635 1.4086 4.5471 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2053 0.9633 3.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3983 -0.5081 3.0658 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7908 -0.9418 2.7674 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1986 -1.9966 3.2956 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7828 -0.2832 1.9129 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2070 -1.2920 0.8481 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.6062 -1.4299 0.9836 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9166 -0.8657 -0.5510 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.1861 -0.9274 -1.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7246 0.1351 -1.9132 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9997 -0.0677 -2.7083 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.0190 -0.3632 -1.7867 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3082 1.1254 -3.5285 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5332 0.9615 -4.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7526 0.7202 -3.5478 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9318 0.6327 -4.5467 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6543 -0.5103 -5.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8899 -1.7431 -1.2322 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6002 -2.5787 -2.1334 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8540 -0.9887 -1.9427 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1702 0.3471 -2.1851 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4454 -1.0386 -1.3038 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6415 -0.6549 -2.3289 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 -0.1948 -2.2088 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.0156 1.3139 -2.5208 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2403 -0.9053 -3.5190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2171 -0.5270 -0.8518 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9647 0.1971 -0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4191 -0.1372 -0.0781 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6490 0.9840 -0.5188 O 0 0 0 0 0 0 0 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H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1279 -3.1238 2.4983 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 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 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 50 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 52 59 1 0 59 60 1 0 59 61 1 0 61 62 1 0 61 63 1 0 63 64 1 0 58 21 1 0 63 32 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 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 21 94 1 1 22 95 1 0 22 96 1 0 26 97 1 0 26 98 1 0 27 99 1 0 27100 1 0 28101 1 0 28102 1 0 29103 1 0 29104 1 0 30105 1 0 30106 1 0 31107 1 0 31108 1 0 32109 1 1 35110 1 0 35111 1 0 36112 1 1 37113 1 0 38114 1 1 39115 1 0 40116 1 0 41117 1 6 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 47129 1 0 48130 1 1 49131 1 0 50132 1 6 51133 1 0 52134 1 1 56135 1 0 58136 1 0 58137 1 0 59138 1 1 60139 1 0 61140 1 6 62141 1 0 63142 1 1 64143 1 0 M END