HMDB0285940 RDKit 3D PC(5-iso PGF2VI/16:0) 133133 0 0 0 0 0 0 0 0999 V2000 0.0086 6.6046 -5.9847 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3019 6.9753 -6.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2218 7.7641 -5.7877 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6352 7.0414 -4.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3374 5.7509 -4.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7751 5.0068 -3.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7038 4.6073 -2.6628 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6526 3.6862 -3.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2887 2.4077 -3.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3335 1.4111 -4.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5692 1.9292 -5.4619 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3663 0.8703 -5.9787 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3856 0.4128 -4.9795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2838 1.5112 -4.5024 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3106 1.0708 -3.5132 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7867 0.5161 -2.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5651 0.4692 -2.0401 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6496 0.0371 -1.3036 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2850 -0.5033 -0.0765 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4968 -1.9748 0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1583 -2.4091 1.4169 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2174 -3.7638 1.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5295 -4.5400 0.7508 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9202 -4.3168 3.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 -5.7742 2.9802 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8252 -6.5365 3.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5893 -5.9772 3.8735 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5774 -6.4303 2.9763 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6680 -7.9164 2.9273 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5002 -8.4315 1.6451 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0562 -8.2463 3.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2862 -7.1437 4.4503 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6186 -7.0146 4.7542 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8856 -5.9390 3.5880 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6942 -4.7389 4.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3437 -3.5950 4.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1079 -2.4184 5.0111 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8568 -2.5285 5.6187 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2765 -1.1124 4.3159 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3714 -0.8485 3.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4158 -1.8052 2.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4102 -1.2772 0.9905 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4037 -2.1902 -0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6742 0.3408 1.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0161 1.5876 0.9461 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3035 2.6541 2.1914 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.8665 3.9789 1.6831 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4584 1.9909 3.2308 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.8730 3.0397 3.0306 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0165 3.6905 2.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2847 4.0695 2.7477 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2297 4.9507 3.8638 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.0063 5.6494 4.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3143 5.9399 3.8513 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4495 4.1591 5.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5099 5.8117 -6.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1081 6.2662 -4.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6922 7.4850 -5.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0433 7.6311 -7.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8052 6.0677 -7.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1290 8.1214 -6.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6849 8.7185 -5.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2642 7.7584 -3.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7286 6.8887 -3.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6672 5.1233 -5.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2349 5.9677 -5.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3267 4.1056 -3.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5297 5.5900 -3.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2522 5.4534 -2.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2161 4.0087 -1.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0996 4.2205 -4.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9081 3.4874 -2.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0511 2.6413 -4.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8113 1.9630 -2.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9619 0.5571 -4.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7016 0.9711 -3.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 2.8489 -5.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3191 2.2120 -6.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 -0.0260 -6.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8502 1.2644 -6.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0063 -0.3620 -5.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8893 -0.1538 -4.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8059 1.9645 -5.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6622 2.3606 -4.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1113 0.4394 -3.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8853 2.0100 -3.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1271 -0.4087 -0.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8859 -2.5840 -0.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5917 -2.1859 -0.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7926 -3.9886 3.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 -3.7664 3.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7317 -6.2993 2.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9389 -7.6399 3.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5099 -4.8958 3.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3349 -6.4356 4.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4895 -6.0225 1.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0323 -8.3914 3.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3504 -8.5695 1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7614 -8.0374 2.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1595 -9.2508 3.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6147 -7.2489 5.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7669 -6.4516 5.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 -5.8050 2.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0383 -4.7385 5.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0247 -3.5582 3.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8463 -2.4607 5.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3377 -1.6849 5.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3284 -1.0227 3.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1618 -0.3168 5.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3073 -0.7116 3.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6626 0.1538 2.7557 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4117 -1.9142 1.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9956 -2.8102 2.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6142 -1.3514 1.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -0.2608 0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4423 -2.5756 -0.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2902 -3.0527 -0.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1444 -1.5840 -1.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2759 -0.0740 2.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7547 0.5191 1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5121 4.5325 1.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7887 2.9332 1.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8484 3.1480 3.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8781 4.5998 1.9452 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7923 6.5126 4.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7227 5.0032 4.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3969 6.1123 3.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2491 5.3794 3.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1051 6.7582 3.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4264 6.2723 4.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4398 3.5720 5.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6154 4.9072 5.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3835 3.5447 4.9961 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 1 0 16 17 2 0 16 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 2 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 19 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 52 55 1 0 34 28 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 6 68 1 0 7 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 9 74 1 0 10 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 19 87 1 6 20 88 1 0 20 89 1 0 24 90 1 0 24 91 1 0 25 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 28 96 1 6 29 97 1 1 30 98 1 0 31 99 1 0 31100 1 0 32101 1 1 33102 1 0 34103 1 6 35104 1 0 36105 1 0 37106 1 1 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 53125 1 0 53126 1 0 53127 1 0 54128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 55133 1 0 M CHG 2 48 -1 52 1 M END