HMDB0285680 RDKit 3D PC(14:0/PGF1alpha) 135135 0 0 0 0 0 0 0 0999 V2000 2.5009 -1.0679 6.4535 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8893 -0.9494 5.9515 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6277 -2.1923 5.6174 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1062 -3.0344 4.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7348 -3.5643 4.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3702 -4.4635 3.5219 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4045 -3.7175 2.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9801 -4.6503 1.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0484 -3.7634 -0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6534 -4.4695 -1.4003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3326 -5.6628 -1.8738 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6772 -5.7636 -2.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8960 -5.3404 -1.6967 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0739 -3.8922 -1.5107 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9075 -3.5177 -0.6254 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3772 -2.9224 -2.2598 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6798 -1.5919 -1.9564 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9100 -0.5645 -2.7143 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3619 0.8000 -2.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1160 0.7792 -0.7710 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5797 2.2437 -0.0687 P 0 0 0 0 0 5 0 0 0 0 0 0 3.7449 2.5684 1.1459 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1958 2.2137 0.4424 O 0 0 0 0 0 1 0 0 0 0 0 0 4.3898 3.5185 -1.1591 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3635 4.7515 -0.5364 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1969 5.8211 -1.5798 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9722 5.6583 -2.3280 N 0 0 0 0 0 4 0 0 0 0 0 0 2.7693 6.8143 -3.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9835 4.4843 -3.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8267 5.5939 -1.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5301 -0.7160 -2.4388 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 -0.7702 -3.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7639 -0.6896 -4.5897 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1028 -0.9310 -2.9295 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8277 -0.8450 -4.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2614 -1.0645 -3.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0440 -0.2443 -2.8929 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 -0.5523 -1.4783 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4172 0.1886 -0.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3387 1.6359 -0.2557 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9374 2.1923 -0.0865 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0133 1.2736 0.3355 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6063 2.8440 -1.4171 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9236 3.4101 -1.8251 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1038 3.5481 -3.1772 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0167 2.5444 -1.1814 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0621 3.4559 -0.6663 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4769 3.5655 0.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5705 4.5618 0.9356 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.0535 5.1717 -0.2143 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7030 3.8366 1.5949 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2387 3.1288 2.8747 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4237 2.4269 3.4882 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9567 1.7215 4.7532 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8852 0.7055 4.4713 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -0.3400 7.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2303 -2.0610 6.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7441 -0.7415 5.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8664 -0.2436 5.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -0.3989 6.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7620 -2.8229 6.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6984 -1.9011 5.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8387 -3.8566 4.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1003 -2.4265 3.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5979 -4.1675 5.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9505 -2.7597 4.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3839 -4.9263 3.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1102 -5.3040 3.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4869 -3.4546 2.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8423 -2.7801 2.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 -4.9155 1.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6923 -5.4711 1.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9088 -3.1495 -0.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1676 -3.0254 0.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 -4.6076 -1.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7393 -3.6911 -2.2517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1323 -6.5529 -1.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6456 -6.0644 -2.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8947 -6.8559 -2.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6775 -5.2541 -3.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8267 -5.7513 -2.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9618 -5.8788 -0.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4523 -1.4262 -0.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7887 -1.4569 -2.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1546 -0.5295 -3.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4657 0.8699 -2.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8863 1.6306 -2.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3189 4.9600 0.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5256 4.8164 0.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0658 5.9099 -2.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1132 6.7945 -1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7103 7.2307 -3.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1147 7.5820 -2.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 6.4688 -4.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0251 4.2188 -3.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3616 4.6646 -4.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5116 3.6641 -2.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8082 4.6107 -0.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8369 6.3908 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9057 5.6692 -2.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0346 0.0102 -2.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0924 -1.8533 -2.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4849 -1.6458 -4.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 0.1521 -4.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 -1.1300 -4.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4173 -2.1526 -3.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1213 -0.4933 -3.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8731 0.8500 -3.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1681 -1.6465 -1.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6853 -0.7555 -1.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1516 -0.2925 0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5181 -0.0769 -0.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8129 1.8238 0.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9603 3.0149 0.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9921 1.2771 1.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8942 3.6951 -1.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1332 2.1862 -2.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0128 4.4373 -1.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0940 4.4837 -3.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5172 1.9360 -1.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5765 4.1456 -1.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0686 2.9716 1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1826 5.2966 1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0876 6.1513 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4741 4.5740 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1871 3.0791 0.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8370 3.8771 3.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4894 2.3419 2.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1831 3.1750 3.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8339 1.6568 2.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8086 1.2036 5.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5770 2.4722 5.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0523 -0.2442 5.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8772 1.0727 4.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7828 0.4652 3.3853 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 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 21 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 27 30 1 0 18 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 46 40 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 17 83 1 0 17 84 1 0 18 85 1 6 19 86 1 0 19 87 1 0 25 88 1 0 25 89 1 0 26 90 1 0 26 91 1 0 28 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 30100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 1 41114 1 1 42115 1 0 43116 1 0 43117 1 0 44118 1 1 45119 1 0 46120 1 6 47121 1 0 48122 1 0 49123 1 1 50124 1 0 51125 1 0 51126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 54131 1 0 54132 1 0 55133 1 0 55134 1 0 55135 1 0 M CHG 2 23 -1 27 1 M END