HMDB0287599 RDKit 3D PC(20:4(8Z,11Z,14Z,17Z)/5-iso PGF2VI) 137137 0 0 0 0 0 0 0 0999 V2000 0.8354 8.4682 8.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5074 7.0542 8.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8433 7.0029 9.2479 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8440 6.2397 8.8587 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6670 5.2723 7.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9652 3.9022 8.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9249 3.1914 7.6741 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8105 3.6789 6.6015 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8385 2.7949 5.4273 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4786 3.1274 4.2306 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9741 4.4687 3.8763 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7547 5.2108 2.8932 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2784 5.5624 1.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9071 5.2156 1.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0293 6.4176 1.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3502 6.0464 0.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3689 5.3490 -0.6856 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 6.2513 -1.7853 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1259 5.4852 -3.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9793 4.3178 -3.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2325 4.5037 -3.3927 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6168 2.9745 -2.9549 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6717 2.0652 -3.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3878 0.6301 -2.9157 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2015 0.1423 -1.5328 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0052 0.3831 -0.9109 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0503 -0.2815 0.6772 P 0 0 0 0 0 5 0 0 0 0 0 0 0.8714 0.4529 1.6089 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4456 -1.8969 0.5267 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.6151 -0.2801 1.2593 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9635 -1.4305 1.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4015 -1.2557 2.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9627 -2.3321 3.1188 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.0852 -1.7934 3.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0888 -2.9915 4.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5606 -3.3599 2.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4429 0.0867 -3.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7831 -0.7894 -4.8181 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0406 -1.0836 -4.8648 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -1.4408 -5.8268 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0248 -0.5530 -6.4629 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3374 -0.6889 -6.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0151 -1.8403 -5.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0005 -1.3726 -4.7760 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1427 -0.5857 -5.4044 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9245 0.7765 -5.4302 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3450 -0.9119 -4.5654 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8162 -1.6066 -3.3256 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4996 -0.5942 -2.4266 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4821 -2.2504 -3.7432 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5980 -3.6894 -3.8394 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3467 -4.5366 -4.7988 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5560 -6.0324 -4.6328 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3374 -6.5454 -5.6596 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1853 -6.7041 -4.6128 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3665 -6.1626 -3.4689 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0045 -6.8084 -3.4473 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1616 -6.2543 -2.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1953 -6.8823 -2.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9402 8.5186 8.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 9.2330 8.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4121 8.4820 7.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 6.9052 9.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7884 6.3839 7.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0396 7.7099 10.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8168 6.3160 9.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5824 5.2724 7.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2855 5.6699 6.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3164 3.5077 8.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1508 2.1544 8.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8361 4.7419 6.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8682 3.5118 7.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1883 1.7317 5.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5509 2.3620 3.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8065 5.0956 4.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9215 4.3120 3.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8069 5.5265 3.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9193 6.1455 1.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4429 4.3587 1.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0796 4.8363 0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4933 7.1086 0.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9545 6.9517 2.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8365 5.3545 1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9962 6.9363 0.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1279 4.3646 -0.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4355 5.1553 -0.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4563 7.1626 -1.8732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1895 6.6294 -1.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9227 5.1583 -3.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3499 6.2252 -3.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1748 2.2690 -4.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4642 2.3272 -2.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4082 0.1411 -3.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3495 -0.9838 -1.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0767 0.5225 -0.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3013 -1.5990 2.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9267 -2.2823 1.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0297 -1.1266 1.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4744 -0.3216 3.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9925 -0.7003 3.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0599 -2.0322 3.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0674 -2.1712 4.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5961 -2.2913 4.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7032 -3.7033 4.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3361 -3.6535 3.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4868 -3.0054 1.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8558 -3.7718 1.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8570 -4.1980 2.9414 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6524 -1.7610 -6.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4511 -2.4251 -5.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6313 0.3335 -6.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0123 0.0132 -6.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3746 -2.5872 -5.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6340 -2.3127 -6.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3989 -0.4951 -4.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3313 -0.9207 -6.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1445 1.1418 -6.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0672 -1.5720 -5.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9340 -0.0101 -4.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4908 -2.3425 -2.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8137 0.0170 -2.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8284 -2.0774 -2.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9813 -4.2163 -2.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9946 -4.2418 -5.7381 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0359 -6.1880 -3.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9701 -7.2458 -5.3532 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3603 -7.7810 -4.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6634 -6.6076 -5.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2376 -5.0609 -3.5683 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8988 -6.4302 -2.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0722 -7.8950 -3.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4425 -6.5685 -4.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6348 -6.4135 -1.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0313 -5.1538 -2.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5572 -7.2206 -3.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9422 -6.1267 -1.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -7.7384 -1.5564 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 2 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 33 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 50 44 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 23 91 1 0 23 92 1 0 24 93 1 6 25 94 1 0 25 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 34100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 36108 1 0 40109 1 0 40110 1 0 41111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 1 45116 1 6 46117 1 0 47118 1 0 47119 1 0 48120 1 1 49121 1 0 50122 1 1 51123 1 0 52124 1 0 53125 1 1 54126 1 0 55127 1 0 55128 1 0 56129 1 0 56130 1 0 57131 1 0 57132 1 0 58133 1 0 58134 1 0 59135 1 0 59136 1 0 59137 1 0 M CHG 2 29 -1 33 1 M END