HMDB0288515 RDKit 3D PC(PGE2/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 143143 0 0 0 0 0 0 0 0999 V2000 0.5636 -2.7774 5.3937 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6462 -3.7059 4.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8842 -4.4926 4.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -4.5001 3.4926 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -3.7013 2.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0438 -4.7051 1.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0568 -4.7035 0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2101 -3.7303 0.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -4.4907 0.6562 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1730 -4.2274 1.6874 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9286 -3.1302 2.7008 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1521 -2.3117 2.7121 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2414 -1.0751 2.4235 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1444 -0.1747 2.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1138 0.9266 3.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4663 2.1429 2.8137 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9886 2.7282 1.5954 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1951 1.9883 0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6791 2.3156 -0.7705 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8307 3.4524 -1.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4698 3.2220 -1.6353 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4623 2.6621 -0.7532 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7741 3.5029 -0.0478 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1032 1.3503 -0.5384 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0609 0.9925 0.3585 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4692 0.1414 1.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2810 -0.0508 2.2997 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6479 0.9821 2.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1686 2.1468 2.8494 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3912 0.8273 3.7583 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7399 1.1399 2.7977 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0993 1.0848 3.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4822 -0.1994 4.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5020 -0.9547 3.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4489 -0.6260 2.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3892 -1.7781 1.5558 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7753 -3.0389 2.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0689 -3.7694 2.8533 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2334 -3.2348 1.9207 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2705 -2.7598 0.4498 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.5604 -2.4717 0.0551 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3469 -1.5786 0.4294 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6764 -1.4342 -0.8816 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8886 -2.2226 -1.9089 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1450 -1.9766 -3.1886 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5326 -2.8183 -4.2050 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2673 -0.5565 -3.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4789 -0.4496 -4.9463 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5355 0.9532 -5.5131 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7431 1.0250 -6.7959 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3128 0.0594 -7.8204 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 0.2922 -0.3779 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3362 1.1176 -1.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1256 0.3739 -2.1819 P 0 0 0 0 0 5 0 0 0 0 0 0 0.6593 -0.0872 -3.5168 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3909 -1.0121 -1.3355 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.1807 1.4076 -2.4822 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6497 1.9026 -1.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8051 2.8306 -1.4693 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5248 3.9823 -2.2700 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.3572 5.1596 -1.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2878 3.8748 -3.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6040 4.1981 -3.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7512 -3.4232 6.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4488 -2.3935 5.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3388 -1.9913 5.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5819 -3.1159 3.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2437 -4.4023 4.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9974 -5.1366 5.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7484 -5.1352 3.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 -3.1753 2.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7014 -2.9633 2.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2192 -5.4273 1.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0597 -5.4906 -0.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0144 -2.8312 0.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3361 -3.4430 -0.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -5.3155 -0.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0646 -4.8610 1.8409 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7855 -3.6548 3.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0572 -2.5850 2.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1088 -2.8487 3.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2884 -0.6066 2.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1805 -0.8010 2.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1421 0.0799 0.9754 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7457 0.6876 4.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3682 2.8785 3.6895 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0284 3.1437 1.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4468 3.7184 1.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8901 1.1133 0.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9341 1.6131 -1.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3875 3.9693 -2.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8727 4.2791 -0.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5908 2.5497 -2.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1251 4.1887 -2.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6568 1.9462 0.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2518 0.6107 2.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7604 -0.8637 1.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 1.6107 4.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2877 -0.1632 4.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6815 0.4945 1.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5812 2.1807 2.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0544 1.8292 4.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8348 1.4853 2.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8330 -0.5585 4.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6337 -1.8962 4.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1278 0.2568 2.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4842 -0.4680 2.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3756 -1.8889 1.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5256 -4.2981 2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8813 -2.5600 2.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8741 -3.5865 -0.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8935 -2.9993 -0.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9331 -0.6171 0.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9506 -0.6184 -1.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5671 -3.0406 -1.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0599 -2.1636 -2.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2993 -2.4389 -4.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9436 0.1795 -2.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3398 -0.3591 -3.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4564 -0.7732 -4.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9407 -1.1675 -5.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5572 1.3021 -5.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0082 1.6146 -4.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6719 0.8947 -6.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8890 2.0457 -7.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4132 0.1571 -7.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9284 0.3623 -8.8211 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9613 -0.9724 -7.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -0.5461 -0.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2608 -0.1336 0.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8446 2.4213 -0.7462 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0061 1.0640 -0.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1171 3.1920 -0.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7077 2.3045 -1.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6019 4.9816 -0.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3255 5.4881 -0.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9967 5.9642 -2.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4684 3.6246 -2.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3804 3.2357 -3.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0489 4.9121 -3.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0646 5.1820 -2.9889 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3595 3.3771 -3.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2308 4.1508 -4.2249 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 2 0 16 17 1 0 17 18 1 0 18 19 2 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 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 25 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 58 59 1 0 59 60 1 0 60 61 1 0 60 62 1 0 60 63 1 0 42 36 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 25 95 1 1 26 96 1 0 26 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 34105 1 0 35106 1 0 35107 1 0 36108 1 6 39109 1 0 39110 1 0 40111 1 6 41112 1 0 42113 1 1 43114 1 0 44115 1 0 45116 1 1 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 51128 1 0 52129 1 0 52130 1 0 58131 1 0 58132 1 0 59133 1 0 59134 1 0 61135 1 0 61136 1 0 61137 1 0 62138 1 0 62139 1 0 62140 1 0 63141 1 0 63142 1 0 63143 1 0 M CHG 2 56 -1 60 1 M END