HMDB0013653 RDKit 3D Prostaglandin D2-1-glyceryl ester 68 68 0 0 0 0 0 0 0 0999 V2000 -7.2925 2.6071 -1.5457 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9138 1.7084 -0.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3583 0.3898 -1.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2304 -0.3929 -1.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2031 -0.6683 -0.6202 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0249 -1.4588 -1.1546 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3711 -0.8003 -2.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0735 -1.6127 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9106 -1.0443 0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9452 -1.1570 1.1683 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3188 -1.9950 2.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3896 -2.1369 2.8455 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 -2.7397 2.7517 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0546 -2.0242 2.0086 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2897 -0.8707 2.7492 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6269 -1.7471 0.7053 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1389 -0.8049 -0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 -1.4389 -0.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 -0.9435 -0.3437 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7644 0.2978 0.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5766 0.1158 1.6491 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9415 -0.4423 1.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8262 0.3974 0.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4400 1.5216 0.2399 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1084 0.0050 0.2559 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8837 0.8594 -0.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1929 2.1910 0.0803 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8907 2.0909 1.2843 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1618 2.8890 -0.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3269 2.1137 -1.0256 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5095 2.1193 -2.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0986 3.0652 -2.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8082 3.4492 -0.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8360 2.2281 -0.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2530 1.6018 0.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1798 0.5932 -1.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7762 -0.2034 -0.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8196 0.0852 -2.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6698 -1.3703 -2.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6711 -1.1975 0.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7766 0.3317 -0.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3456 -2.4579 -1.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7736 0.0980 -2.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4180 -2.2487 0.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6106 -0.4091 -0.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6701 -0.1466 1.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0126 -2.5775 3.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1175 -3.7877 2.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9199 -2.6788 1.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2808 -0.0483 2.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7839 -2.7144 0.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1405 0.2179 0.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5132 -0.7794 -1.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3454 -2.4002 -1.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4795 -1.4645 -0.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8732 0.8673 0.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3344 0.9805 -0.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9702 -0.4531 2.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6816 1.1381 2.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3838 -0.5976 2.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8842 -1.4884 1.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8712 0.3500 -0.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3996 1.0219 -1.5001 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3261 2.8776 0.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5508 2.7703 1.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7274 2.9754 -1.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4652 3.8767 -0.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2296 1.4667 -1.7596 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 14 16 1 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 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 16 10 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 2 35 1 0 3 36 1 0 3 37 1 0 4 38 1 0 4 39 1 0 5 40 1 0 5 41 1 0 6 42 1 6 7 43 1 0 8 44 1 0 9 45 1 0 10 46 1 1 13 47 1 0 13 48 1 0 14 49 1 6 15 50 1 0 16 51 1 6 17 52 1 0 17 53 1 0 18 54 1 0 19 55 1 0 20 56 1 0 20 57 1 0 21 58 1 0 21 59 1 0 22 60 1 0 22 61 1 0 26 62 1 0 26 63 1 0 27 64 1 0 28 65 1 0 29 66 1 0 29 67 1 0 30 68 1 0 M END