HMDB0276884 RDKit 3D PI(PGE2/18:3(9Z,12Z,15Z)) 141142 0 0 0 0 0 0 0 0999 V2000 9.4045 4.4052 -2.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8566 2.9269 -2.1771 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3291 2.9525 -2.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2453 2.4254 -1.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9518 1.6533 -0.3538 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5663 0.3272 -0.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0177 -0.8138 -0.3774 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6570 -1.2398 -0.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5659 -0.2773 -0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8176 -0.0635 1.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0300 -0.7987 2.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7938 -1.5714 2.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6552 -0.6351 2.8616 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3952 -1.3154 3.2982 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8567 -2.3337 2.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6163 -3.0010 2.8646 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4796 -2.1026 3.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9559 -1.4084 1.9832 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0897 -2.0766 1.3252 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2593 -0.1735 1.5047 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6462 0.4088 0.3393 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6974 0.1486 -0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1731 -1.1358 -0.7941 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7932 -2.3123 -1.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1008 -3.3772 -0.6917 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0699 -2.5584 -2.6086 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6063 -2.5114 -2.5624 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1207 -3.8097 -2.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9877 -4.2979 -3.2875 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2431 -4.0074 -3.3705 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0999 -3.9477 -2.1633 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9467 -2.7305 -2.2521 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2772 -2.7511 -1.6747 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6447 -3.6898 -0.9983 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2183 -1.5997 -1.9138 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0849 -1.2595 -0.7618 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8987 -2.3077 0.1847 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0200 0.0313 -0.0894 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.4003 0.6722 -0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1928 0.7278 0.9128 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5434 1.3442 0.9222 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.4483 0.2592 1.0066 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7170 2.1723 2.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6715 3.2360 2.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7633 4.1520 1.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6778 5.2242 1.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8238 6.0952 -0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0486 1.0824 -0.4486 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.7414 2.3089 -0.7221 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0335 1.4758 0.5907 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4403 1.0250 1.8458 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6228 0.9113 0.2784 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6724 1.7162 0.9148 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 1.1318 0.5788 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.8261 0.1567 1.6881 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9977 0.5948 -0.9682 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0942 2.2973 0.7147 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3485 1.8210 0.5216 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6473 -0.5020 0.6265 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1763 -0.6512 1.9393 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0690 -1.5509 -0.2233 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6015 -2.7751 0.2886 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1416 -1.5907 -1.6566 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4896 -0.4884 -2.4067 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0644 4.9411 -2.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3455 4.4218 -2.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5658 4.7434 -1.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3258 2.4225 -2.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5389 2.5115 -1.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7345 3.4981 -3.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3352 2.5400 -1.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9044 1.7130 -0.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5671 2.2073 0.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6782 0.3477 -0.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7333 -1.7122 -0.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5756 -2.0370 0.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3832 -1.8547 -1.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2431 0.3275 -0.9347 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0227 0.7008 0.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9333 -1.4077 2.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1260 0.0051 3.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5473 -2.2546 1.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9585 -2.2525 3.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4552 -0.0757 1.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9495 0.0454 3.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5723 -1.7988 4.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6418 -0.5040 3.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7357 -1.9270 1.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6293 -3.1429 2.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9524 -3.5639 3.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3366 -3.7820 2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8484 -1.3609 3.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6860 -2.7436 3.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8824 -0.2963 0.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2845 0.4547 -1.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5295 0.8620 -0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3826 -3.4967 -3.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4197 -1.7435 -3.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1732 -2.1932 -3.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2985 -1.6800 -1.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5698 -3.6722 -1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6998 -4.5632 -2.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5545 -4.9538 -4.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7480 -3.7912 -4.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5632 -4.1238 -1.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8033 -4.8329 -2.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0947 -2.5410 -3.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7571 -0.7619 -2.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8812 -2.0332 -2.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1719 -1.4421 -1.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5798 -3.0093 0.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9036 -0.1428 1.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7419 1.1074 -1.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8582 0.2953 1.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8082 1.8828 0.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2905 -0.3048 0.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7442 2.5183 2.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4896 1.4796 3.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6660 3.8221 3.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6740 2.7038 2.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6214 3.5255 0.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7360 4.6646 1.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6935 4.7294 1.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7667 5.8062 2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8350 5.9846 -0.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6338 7.1558 0.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0622 5.7672 -0.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4911 0.9391 -1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3419 2.4533 0.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8784 2.5648 0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4310 1.7435 2.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4889 1.1719 -0.7885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4909 1.1271 -1.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 2.3847 -0.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9583 2.2395 1.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7283 -0.8272 0.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4338 0.0781 2.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9889 -1.6948 0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3184 -2.8481 1.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1021 -1.7782 -2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5196 -0.7574 -3.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 1 0 13 14 1 0 14 15 1 0 15 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 2 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 38 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 57 58 1 0 52 59 1 0 59 60 1 0 59 61 1 0 61 62 1 0 61 63 1 0 63 64 1 0 58 21 1 0 63 32 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 12 83 1 0 13 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 15 89 1 0 16 90 1 0 16 91 1 0 17 92 1 0 17 93 1 0 21 94 1 6 22 95 1 0 22 96 1 0 26 97 1 0 26 98 1 0 27 99 1 0 27100 1 0 28101 1 0 28102 1 0 29103 1 0 30104 1 0 31105 1 0 31106 1 0 32107 1 6 35108 1 0 35109 1 0 36110 1 6 37111 1 0 38112 1 1 39113 1 0 40114 1 0 41115 1 6 42116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 45121 1 0 45122 1 0 46123 1 0 46124 1 0 47125 1 0 47126 1 0 47127 1 0 48128 1 6 49129 1 0 50130 1 1 51131 1 0 52132 1 6 56133 1 0 58134 1 0 58135 1 0 59136 1 1 60137 1 0 61138 1 6 62139 1 0 63140 1 6 64141 1 0 M END