HMDB0267235 RDKit 3D PA(a-25:0/PGE2) 147147 0 0 0 0 0 0 0 0999 V2000 -14.7656 2.0916 0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0970 1.3755 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9207 -0.1256 -0.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2073 -0.5827 1.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9873 -2.0589 1.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1851 -2.6153 0.0389 C 0 0 2 0 0 0 0 0 0 0 0 0 -14.0783 -4.0101 0.2395 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7921 -2.1050 -0.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9863 -1.9144 0.9734 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6067 -1.4159 0.9376 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.0867 -1.0894 -0.4416 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.6711 -1.1899 -0.3971 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4714 0.3357 -0.6434 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4671 0.9379 0.7035 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4768 2.1310 0.9359 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4515 -0.1307 1.7027 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.2154 -0.1014 2.5992 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1354 1.1958 3.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1653 2.0273 3.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9546 1.7712 2.3432 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8742 2.7697 1.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6671 2.6365 0.3912 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4730 1.3369 -0.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0145 0.2797 0.0823 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5946 1.2503 -1.3597 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4188 -0.0284 -1.9252 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0375 -0.3421 -2.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 -0.2586 -1.4476 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8347 -0.9302 -0.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6705 -1.7701 0.0854 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6259 -0.6815 0.5917 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 0.3393 -0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 0.7131 0.6425 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4309 -0.3804 0.9205 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9516 -1.0834 -0.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9379 -2.1116 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1639 -1.8020 0.7984 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1734 -0.8651 0.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7601 0.5572 0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8145 1.4558 -0.5204 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0519 1.4795 0.3338 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0567 2.4202 -0.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3518 2.5392 0.4249 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0170 1.2063 0.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3500 1.2623 1.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3176 2.1899 0.5321 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5991 1.7642 -0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2097 0.4117 -1.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5474 0.2937 -0.3354 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0640 -1.1177 -0.5465 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3959 -1.3696 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7499 -2.8287 -0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2266 -1.2853 1.5974 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5885 -1.5472 2.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3328 -0.0195 -3.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2377 -1.2375 -3.8308 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1936 -1.3188 -5.1998 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.3824 -2.2510 -5.0039 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3162 -1.8985 -6.5098 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7881 0.2178 -5.5773 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.0363 1.6867 -0.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9555 3.1676 -0.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4058 2.0408 1.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6993 1.6487 0.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6061 1.7756 -0.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3422 -0.3577 -1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9201 -0.5780 -0.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8921 -0.3227 1.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2937 0.0097 1.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4321 -2.2710 2.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9764 -2.5644 1.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6778 -2.5106 -0.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6854 -4.4617 -0.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3603 -1.8453 -1.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4123 -2.1630 1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9518 -2.2255 1.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3945 -1.7751 -1.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3987 -1.9832 0.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5058 0.3856 -1.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7618 0.8675 -1.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3533 0.0431 2.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4030 -0.8627 3.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3641 -0.4580 2.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9963 1.4419 3.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1408 3.0106 3.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9093 0.7613 1.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0445 1.9580 2.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0226 3.8179 1.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8026 2.6002 0.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7058 3.4661 -0.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7247 2.9066 0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8700 -0.8501 -1.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8019 0.3578 -3.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9884 -1.3629 -2.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1307 -1.6627 0.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9029 -0.3382 1.5946 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4545 0.0551 -1.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3995 1.2653 -0.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1314 1.1252 1.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9936 1.5366 0.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9502 -1.1500 1.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2775 0.0392 1.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0436 -1.7126 -0.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1461 -0.4349 -1.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3689 -2.8780 0.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2433 -2.6943 -0.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9661 -1.5541 1.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7275 -2.7961 0.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4932 -1.3009 -0.7553 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1386 -0.9468 0.8443 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5605 0.9521 1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8539 0.6791 -0.5003 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0381 1.0485 -1.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4063 2.4675 -0.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4421 0.4664 0.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8603 1.8760 1.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5293 3.3906 -0.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2370 2.0144 -1.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9723 3.2778 -0.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1268 2.9774 1.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1676 0.8128 -0.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3653 0.5512 1.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2179 1.6459 2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7697 0.2562 1.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8870 3.1973 0.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2589 2.2247 1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7059 1.8217 -1.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3309 2.5071 -1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5663 -0.4095 -0.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3855 0.2456 -2.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3090 0.9563 -0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4430 0.5647 0.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2738 -1.7988 -0.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1060 -1.2711 -1.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1676 -0.6958 -0.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8345 -3.0253 -0.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4082 -3.0049 -1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0918 -3.4676 0.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9047 -0.2656 1.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4830 -2.0403 1.8983 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2974 -0.8315 1.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4990 -1.4067 3.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8490 -2.6109 1.9975 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3556 0.1803 -2.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0314 0.8128 -3.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7339 -1.2131 -6.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1346 0.6857 -4.7657 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 2 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 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 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 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 26 55 1 0 55 56 1 0 56 57 1 0 57 58 2 0 57 59 1 0 57 60 1 0 16 10 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 6 7 73 1 0 8 74 1 0 9 75 1 0 10 76 1 1 11 77 1 6 12 78 1 0 13 79 1 0 13 80 1 0 16 81 1 1 17 82 1 0 17 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 22 90 1 0 22 91 1 0 26 92 1 1 27 93 1 0 27 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 46125 1 0 46126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 52136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 54143 1 0 55144 1 0 55145 1 0 59146 1 0 60147 1 0 M END