HMDB0296527 RDKit 3D DG(21:0/5-iso PGF2VI/0:0) 126126 0 0 0 0 0 0 0 0999 V2000 16.8006 -1.2877 -3.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1510 -0.0374 -2.7475 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2377 -0.4251 -1.6121 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5548 0.8076 -1.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6280 0.3689 0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9536 1.5536 0.7089 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0412 1.2830 1.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7928 0.5742 1.5869 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8658 -0.7757 0.9783 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4579 -1.4454 0.9325 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5833 -0.5744 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1547 -1.1344 -0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5221 -1.2834 1.2898 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1244 -1.7852 1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1312 -0.9218 0.6023 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0628 0.4791 1.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7013 0.6543 2.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4567 0.1661 3.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 0.6435 2.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7049 0.3353 1.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6774 0.9172 1.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3891 0.3573 0.1833 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0945 2.0066 1.7117 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2943 2.6815 1.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4581 1.8711 2.0938 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3808 1.5200 3.5704 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3608 0.6568 3.8809 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6534 0.7412 1.3021 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8429 0.6174 0.5885 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7082 1.5493 0.6802 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1900 -0.5303 -0.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8178 -0.3819 -1.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6775 -0.3841 -2.6527 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1116 -0.5329 -2.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8925 0.6735 -2.9918 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.4695 1.9666 -2.3500 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.5550 2.9493 -3.3663 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4706 2.3403 -1.3085 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3745 1.1142 -1.1589 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.6577 1.4967 -0.8501 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3243 0.5581 -2.5659 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.9045 -0.7864 -2.6631 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3856 -1.4210 -1.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9893 -2.7834 -1.6354 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.2715 -3.1650 -2.9256 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2809 -2.6512 -0.8135 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1586 -1.6199 -1.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4490 -1.4253 -0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2228 -0.9480 0.6676 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5504 -0.7694 1.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4696 -1.4753 -4.3086 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6228 -2.1638 -2.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9046 -1.0968 -3.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5077 0.4112 -3.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8856 0.6991 -2.3378 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4383 -1.0784 -2.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7255 -0.9927 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3153 1.4797 -0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9071 1.3008 -1.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0795 -0.4572 -0.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3271 -0.0211 0.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7066 2.3404 1.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3895 2.0878 -0.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6092 0.7708 2.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7588 2.2815 2.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1147 1.2601 0.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2386 0.4343 2.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6220 -1.4454 1.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0057 -0.5724 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1290 -1.5748 1.9741 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6408 -2.4191 0.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0173 -0.3311 -0.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4051 0.3876 0.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2379 -2.0354 -0.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6118 -0.3333 -0.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5819 -0.3312 1.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1492 -2.0059 1.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0910 -2.7844 0.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8459 -1.9536 2.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1348 -1.3872 0.7352 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3499 -0.9012 -0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4822 1.1032 0.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1153 0.9610 1.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6818 1.8007 2.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5958 0.4139 3.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5101 0.4302 4.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3845 -0.9725 3.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 1.7877 2.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3234 0.4035 3.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5934 -0.7849 1.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3539 0.7332 0.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4207 3.0352 0.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1751 3.6160 2.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3634 2.5525 2.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3303 2.4886 4.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3456 1.0480 3.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6209 -0.2772 4.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1990 -0.9094 -0.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5200 -1.3748 0.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7425 -0.2614 -1.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3191 -0.2689 -3.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4787 -0.8519 -1.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4294 -1.3647 -3.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7720 0.6966 -4.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4747 1.9384 -1.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4806 3.1678 -3.5746 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0208 2.6227 -0.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1040 3.2222 -1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8898 0.4698 -0.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6978 1.9807 0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9145 1.2667 -3.1986 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9409 -1.2789 -3.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3490 -0.9288 -0.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3613 -3.5305 -1.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6186 -2.4279 -3.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7771 -3.6228 -0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0217 -2.2950 0.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6592 -0.6247 -1.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3655 -1.9459 -2.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0982 -0.7053 -1.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0307 -2.3902 -0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6335 -1.6592 1.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7278 0.0524 0.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3667 -0.4970 2.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1346 -1.7128 1.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0982 0.0819 0.9135 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 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 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 25 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 41 35 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 6 63 1 0 7 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 9 69 1 0 10 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 20 90 1 0 20 91 1 0 24 92 1 0 24 93 1 0 25 94 1 1 26 95 1 0 26 96 1 0 27 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 6 36105 1 1 37106 1 0 38107 1 0 38108 1 0 39109 1 1 40110 1 0 41111 1 6 42112 1 0 43113 1 0 44114 1 1 45115 1 0 46116 1 0 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 50126 1 0 M END