HMDB0286755 RDKit 3D PC(6 keto-PGF1alpha/18:3(9Z,12Z,15Z)) 140140 0 0 0 0 0 0 0 0999 V2000 2.9087 -4.6733 1.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 -5.7886 2.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6192 -7.0636 1.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7253 -7.9364 1.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2826 -7.9969 1.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4380 -8.1394 0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4610 -7.5070 -0.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2479 -6.4289 0.4898 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2990 -5.2508 -0.3716 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0293 -4.0290 -0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6201 -3.6110 1.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2851 -2.9338 1.2789 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1948 -2.4330 2.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7693 -1.4120 3.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2496 -0.9070 4.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1817 0.1459 5.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3486 1.2922 4.1713 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 2.3542 4.7138 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6288 2.3119 5.8902 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6087 3.4273 3.9261 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3935 4.5031 4.2429 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6333 4.5726 3.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2653 4.5764 2.0265 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7949 3.5060 1.3126 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7212 2.3949 1.9687 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3658 3.4790 -0.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8535 3.4909 -0.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 3.3531 -1.6705 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0658 3.3670 -1.8235 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4538 3.1191 -3.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 2.8240 -4.0254 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8345 3.1974 -3.7656 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0392 2.0697 -4.7940 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4448 2.1634 -5.3689 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8054 3.4862 -5.4715 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3118 1.4114 -4.3714 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4205 0.2699 -3.8893 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7673 0.1181 -2.5175 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0245 0.7454 -4.0405 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0353 -0.2100 -4.5511 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2705 -1.4062 -5.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2183 -2.3254 -5.5353 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8480 -2.2967 -4.6281 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 -2.1526 -6.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8152 -0.8662 -7.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1063 -0.5633 -6.6121 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6140 0.7695 -7.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9281 1.1294 -6.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7017 5.8443 4.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5602 6.0227 4.7482 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9513 7.5577 4.3849 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.4521 7.9365 3.0101 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5454 8.7219 5.4612 O 0 0 0 0 0 1 0 0 0 0 0 0 0.7373 7.6030 4.4261 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1601 6.4210 3.7814 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6548 6.4096 3.7998 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2096 5.2305 3.1642 N 0 0 0 0 0 4 0 0 0 0 0 0 2.9787 4.1101 4.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6129 5.3557 2.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4651 4.9513 1.9487 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4492 -4.8254 0.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0258 -4.7283 1.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6285 -3.6894 1.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0285 -5.7556 3.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3448 -5.6482 2.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6865 -7.2175 1.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1254 -8.8446 0.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0832 -7.1139 2.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1118 -8.9148 2.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0029 -8.9445 -0.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7813 -7.8479 -1.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2752 -6.8627 0.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8547 -6.2129 1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6093 -5.4492 -1.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1079 -3.2163 -0.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3624 -2.7897 1.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7224 -4.3639 2.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4351 -3.6400 0.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2971 -2.0702 0.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1515 -1.8949 2.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3669 -3.2057 3.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0329 -0.6654 2.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7257 -1.9654 3.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2036 -1.7065 5.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7549 -0.4461 4.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7521 0.5103 6.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1351 -0.3392 5.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 0.9071 3.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3869 1.6893 3.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7196 4.4449 5.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3278 3.7340 3.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2046 5.4936 3.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7880 2.5988 -0.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7665 4.3830 -0.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4622 4.4395 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4515 2.5941 0.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 4.2157 -2.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8607 2.4451 -2.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5561 2.5751 -1.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4344 4.3800 -1.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0161 4.1745 -4.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6212 3.0624 -3.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3054 2.1352 -5.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5308 1.6471 -6.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3881 3.7846 -4.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5402 2.1040 -3.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2400 1.0241 -4.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6885 -0.6734 -4.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9565 0.2436 -1.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6811 1.0216 -2.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0203 0.0957 -4.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3214 -1.7399 -5.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6178 -3.3826 -5.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1303 -3.1816 -4.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7024 -2.3090 -7.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8852 -2.9819 -7.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1508 -0.0073 -7.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1130 -0.9943 -8.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0478 -0.5157 -5.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8699 -1.3403 -6.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9044 1.5714 -6.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7126 0.7601 -8.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9873 2.2038 -6.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7576 0.9132 -7.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0472 0.5507 -5.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4266 5.8586 2.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4530 6.6235 4.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6805 5.5848 4.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 6.5348 2.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9933 6.3863 4.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0381 7.3240 3.3241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3650 4.4069 5.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5247 3.2177 3.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 3.9625 4.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1160 5.7728 3.8011 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0450 4.3338 2.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8594 5.9016 1.9787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 4.1069 1.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 5.8133 1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 4.6235 2.2636 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 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 21 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 57 60 1 0 39 33 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 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 21 90 1 1 22 91 1 0 22 92 1 0 26 93 1 0 26 94 1 0 27 95 1 0 27 96 1 0 28 97 1 0 28 98 1 0 29 99 1 0 29100 1 0 32101 1 0 32102 1 0 33103 1 6 34104 1 6 35105 1 0 36106 1 0 36107 1 0 37108 1 6 38109 1 0 39110 1 1 40111 1 0 41112 1 0 42113 1 6 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 58132 1 0 58133 1 0 58134 1 0 59135 1 0 59136 1 0 59137 1 0 60138 1 0 60139 1 0 60140 1 0 M CHG 2 53 -1 57 1 M END