HMDB0265160 RDKit 3D PA(PGE2/20:4(5Z,8Z,11Z,14Z)) 124124 0 0 0 0 0 0 0 0999 V2000 -13.5675 2.4141 4.5782 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3133 1.8688 3.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4516 1.0073 2.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3324 0.5548 1.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6017 -0.3254 0.3465 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4939 0.4618 -0.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2124 0.1506 -0.1442 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7361 -1.0502 0.5071 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0361 -2.0954 -0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7488 -2.2043 -1.4541 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0508 -1.3048 -2.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0715 -0.6365 -3.3397 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7854 -0.6500 -3.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0232 -1.4313 -2.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2252 -2.4994 -2.9351 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9273 -2.5466 -2.8263 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0547 -1.6100 -2.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3187 -2.3498 -1.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3787 -1.5491 -0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2577 -1.0031 -0.9901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 -1.1247 -2.2086 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2378 -0.3065 -0.3081 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8478 0.2005 -1.0971 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0813 -0.6270 -0.7226 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2041 -0.3021 -1.3835 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1217 0.6854 -1.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0055 1.6210 -0.5886 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2744 0.6866 -2.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2384 -0.6102 -3.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4609 -1.8328 -2.3062 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7974 -1.7940 -1.7362 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0741 -1.7478 -0.4626 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0539 -1.7241 0.5729 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1887 -0.4880 1.4267 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0179 -0.4659 2.4337 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0126 -1.0832 2.3382 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4296 0.4691 3.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9140 0.7532 3.2567 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5876 0.6930 4.4598 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2659 -0.5046 2.4581 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6441 -0.7061 2.1673 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6439 0.1589 2.3737 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0684 -0.1936 2.0170 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3770 -1.4747 2.5083 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3189 -0.2253 0.5486 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1078 1.0265 -0.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9305 2.2082 0.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3940 2.1261 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1752 1.1064 0.6223 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0632 1.6445 -0.8966 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1463 2.3592 -1.2036 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 4.0172 -0.9297 P 0 0 0 0 0 5 0 0 0 0 0 0 1.3001 4.1542 0.0695 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 4.7828 -2.3715 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2239 4.7001 -0.2792 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.2326 2.4883 5.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1781 3.4444 4.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7001 1.7245 4.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1935 1.2700 3.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7602 2.7160 2.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6042 1.6213 2.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1247 0.1154 3.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6748 1.4609 0.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1892 -0.0272 1.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3952 -0.5132 -0.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3112 -1.2910 0.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7735 1.4041 -0.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4901 0.8900 -0.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9480 -0.6742 1.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5043 -1.4719 1.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6642 -2.9846 0.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1955 -3.1680 -1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7197 -1.9686 -3.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8755 -0.6109 -2.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4793 0.0317 -4.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1850 -0.0427 -4.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2836 -0.6162 -1.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5276 -1.6979 -1.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7843 -3.2653 -3.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4604 -3.4113 -3.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4569 -0.6613 -1.7916 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2545 -1.3295 -2.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0074 -2.9652 -0.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7044 -3.1349 -1.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8684 -0.7718 0.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8998 -2.2465 0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5992 -0.0035 -2.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2285 -0.5582 0.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8126 -1.6911 -0.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0717 1.5114 -3.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2348 0.8712 -1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9997 -0.5735 -3.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2424 -0.6688 -3.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4771 -2.6917 -3.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6288 -2.0781 -1.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6344 -1.8044 -2.4797 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1290 -1.7272 -0.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2446 -2.6078 1.2556 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0096 -1.8439 0.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1083 0.4436 0.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8053 1.3625 3.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3409 0.0072 4.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0427 1.6636 2.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9856 1.5580 4.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9269 -1.3585 3.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9849 -1.6685 1.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3917 1.1118 2.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7226 0.5026 2.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6854 -1.4038 3.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6410 -1.0293 0.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3351 -0.6367 0.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0152 1.3050 -0.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2028 0.8432 -1.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6890 2.6590 1.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5685 3.0326 -0.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8202 3.1435 0.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6386 1.9937 -1.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4779 0.2325 -0.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1902 1.5755 0.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8031 0.8083 1.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4053 1.8806 0.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7414 2.0247 -1.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5494 4.1706 -3.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9349 4.6263 -0.9830 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 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 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 23 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 40 34 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 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 23 87 1 6 24 88 1 0 24 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 6 37101 1 0 37102 1 0 38103 1 6 39104 1 0 40105 1 1 41106 1 0 42107 1 0 43108 1 1 44109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 54123 1 0 55124 1 0 M END