HMDB0266824 RDKit 3D PA(6 keto-PGF1alpha/a-13:0) 114114 0 0 0 0 0 0 0 0999 V2000 15.5474 1.8122 0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8594 1.1362 -0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5693 0.4602 -0.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6373 1.5219 0.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3604 0.8802 0.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6521 0.1908 -0.5197 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3031 1.0347 -1.5411 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4213 -0.5263 -0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2212 -0.2998 -0.5132 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9919 -0.9553 -0.0749 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1106 -2.0134 0.9572 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2668 -3.0997 0.6399 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5706 -1.3921 2.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2895 0.0610 1.9417 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2413 0.5081 2.7264 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9385 0.0212 0.4669 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5922 -0.6082 0.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5163 0.3054 0.7649 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5381 1.4553 0.3759 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4979 -0.1861 1.7057 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1891 -0.5463 1.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4658 -1.5848 -0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2446 -2.0632 -0.7171 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5013 -0.9765 -1.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1663 0.2297 -1.3898 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6184 -1.2851 -2.1579 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5177 -0.5619 -2.8751 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4941 0.3039 -2.1497 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8518 1.4152 -1.4056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8847 2.2725 -0.8876 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2392 3.5610 -0.0353 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.2767 4.2534 0.8200 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 4.6929 -1.0339 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0644 2.9597 1.0403 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2872 -0.4423 -1.2386 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6400 -0.6164 -1.2916 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2638 -0.0739 -2.2222 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2738 -1.4536 -0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8081 -0.5314 0.8414 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4543 -1.2876 1.9783 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5997 -2.1407 1.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7316 -1.3127 0.9307 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1806 -0.3023 1.9143 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3338 0.5321 1.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3074 1.4098 0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2221 0.8865 -0.9633 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2523 2.1318 -1.9007 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4615 0.0454 -1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4392 -0.5230 -2.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6623 1.6958 0.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3427 2.8975 0.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1926 1.3641 1.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4964 0.3852 -1.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5665 1.8738 -1.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7172 -0.3463 0.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1242 0.0701 -1.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3690 2.2331 -0.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1293 2.0722 0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6887 1.6841 0.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5111 0.1957 1.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2792 -0.6381 -0.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2309 0.4981 -2.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6082 -1.2224 0.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2094 0.4549 -1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5198 -1.4119 -0.9902 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1321 -2.3570 1.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6993 -3.9566 0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2930 -1.5279 3.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5880 -1.8440 2.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1494 0.7296 2.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4103 1.4272 3.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0155 1.0126 -0.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4220 -0.6964 -0.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5485 -1.5912 0.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8343 -1.0620 2.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2461 0.5992 2.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5189 -1.0088 1.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7951 0.3971 0.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9942 -2.4206 0.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1302 -1.1584 -0.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4161 -2.9322 -1.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4491 -2.4622 0.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0481 -1.2739 -3.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9396 0.1166 -3.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2056 0.7536 -2.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 2.0102 -1.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4707 0.9563 -0.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 5.0693 -0.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4230 2.1678 1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1597 -2.0068 -0.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5063 -2.1411 0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4743 0.2117 0.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9487 0.0288 1.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6890 -1.9413 2.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7442 -0.5625 2.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0432 -2.5638 2.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3265 -2.9847 0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2627 -0.8637 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5267 -2.0221 0.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4159 -0.8610 2.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3300 0.4155 2.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5424 1.1654 2.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2317 -0.1793 1.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5210 2.2390 0.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2625 2.0486 0.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3657 0.3390 -1.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8035 1.8730 -2.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6306 2.9385 -1.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3019 2.4290 -2.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5061 -0.8140 -0.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3437 0.7186 -1.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8593 0.1725 -3.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4728 -0.6745 -3.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8737 -1.4882 -2.6488 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 1 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 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 28 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 16 10 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 6 7 62 1 0 8 63 1 0 9 64 1 0 10 65 1 6 11 66 1 1 12 67 1 0 13 68 1 0 13 69 1 0 14 70 1 6 15 71 1 0 16 72 1 6 17 73 1 0 17 74 1 0 20 75 1 0 20 76 1 0 21 77 1 0 21 78 1 0 22 79 1 0 22 80 1 0 23 81 1 0 23 82 1 0 27 83 1 0 27 84 1 0 28 85 1 6 29 86 1 0 29 87 1 0 33 88 1 0 34 89 1 0 38 90 1 0 38 91 1 0 39 92 1 0 39 93 1 0 40 94 1 0 40 95 1 0 41 96 1 0 41 97 1 0 42 98 1 0 42 99 1 0 43100 1 0 43101 1 0 44102 1 0 44103 1 0 45104 1 0 45105 1 0 46106 1 0 47107 1 0 47108 1 0 47109 1 0 48110 1 0 48111 1 0 49112 1 0 49113 1 0 49114 1 0 M END