HMDB0287893 RDKit 3D PC(22:1(13Z)/PGD2) 153153 0 0 0 0 0 0 0 0999 V2000 -8.9912 1.9758 -9.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8544 0.9041 -8.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3727 0.1657 -7.3264 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1477 0.8728 -6.0559 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1196 1.9592 -6.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9769 2.5624 -4.6943 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9808 3.6668 -4.6327 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5681 3.2699 -5.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0108 2.2372 -4.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9311 2.3957 -3.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 3.6486 -3.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0904 4.2168 -2.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4493 3.3494 -0.9732 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0068 3.0320 -1.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3907 2.2064 -0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0532 0.8746 0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2699 0.2159 1.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7609 -1.1336 1.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7169 -2.1151 0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6686 -2.2719 -0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6615 -2.7755 0.8362 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9888 -2.8636 0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1075 -2.5426 -1.0219 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0899 -3.2948 0.8889 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3705 -3.3855 0.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9364 -2.0695 -0.0838 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0681 -2.1557 -1.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2422 -0.8708 -1.6441 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4491 -0.8492 -2.8210 P 0 0 0 0 0 5 0 0 0 0 0 0 9.0155 -2.2404 -2.9345 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6896 0.1982 -2.4127 O 0 0 0 0 0 1 0 0 0 0 0 0 7.7788 -0.4728 -4.3394 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0419 0.6879 -4.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3859 1.0950 -5.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4860 0.0901 -5.9960 N 0 0 0 0 0 4 0 0 0 0 0 0 6.1535 -0.7408 -6.9496 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3825 0.7606 -6.7008 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8550 -0.6636 -4.9266 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1799 -1.1547 0.9627 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4793 0.0021 1.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5117 0.2036 0.3405 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6835 1.0152 2.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9337 0.9382 3.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2837 -0.3132 4.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4945 -0.2001 5.5088 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6445 -1.0837 5.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3283 -2.3397 5.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8964 -2.3897 4.8012 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6867 -3.7586 4.1555 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8951 -4.1140 3.5476 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 -4.6510 5.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9646 -3.7964 6.4392 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6475 -4.0774 7.5647 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9173 -2.3783 5.9248 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4561 -2.0627 5.4312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0882 -1.0149 5.8614 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4809 -0.6623 5.3821 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3600 -1.2868 6.2205 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5487 0.8303 5.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8248 1.3972 4.8698 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0738 1.1590 5.5817 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2906 1.6106 6.9546 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4499 1.1405 8.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0741 1.8995 -10.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3531 3.0108 -8.8748 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9338 1.7987 -8.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9036 1.2931 -8.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0209 0.1324 -9.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1270 -0.6733 -7.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4440 -0.4135 -7.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0954 1.2175 -5.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7410 0.1068 -5.3181 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3311 2.7700 -6.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1527 1.5082 -6.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9556 2.9420 -4.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6608 1.7668 -3.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3456 4.4784 -5.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0210 4.1020 -3.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6634 2.8070 -6.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9862 4.1712 -5.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4815 1.2429 -4.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5445 1.5702 -2.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4865 4.4133 -4.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0822 3.3644 -3.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5636 5.1993 -1.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1353 4.4500 -1.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4879 3.8233 0.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9536 2.3421 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8799 2.5447 -2.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4531 3.9936 -1.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3351 2.7969 0.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 1.9604 -0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0161 0.2976 -0.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1035 0.9465 0.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3743 0.8899 2.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8029 0.2291 0.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8272 -1.0525 1.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2118 -1.4755 2.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0419 -3.0987 0.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3774 -1.7322 -0.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5924 -3.0241 -1.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9641 -1.3302 -0.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6858 -2.1634 1.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3897 -3.8155 1.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 -3.9105 1.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3060 -4.0219 -0.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0976 -1.5659 -0.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -2.4790 -0.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8479 -2.8291 -1.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3056 0.6464 -3.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7396 1.5235 -3.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8259 2.0364 -5.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2149 1.2181 -6.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6601 -1.6119 -6.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3832 -1.0959 -7.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8746 -0.0979 -7.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7816 1.4446 -7.4718 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7353 1.2789 -5.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8394 -0.0431 -7.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9537 -1.1910 -5.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5021 0.0586 -4.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5979 -1.3612 -4.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4655 2.0445 1.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8037 1.0865 2.3777 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8410 0.9162 3.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1876 1.8279 4.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0393 -1.1591 3.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3721 -0.2441 4.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6399 0.7115 6.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0872 -0.9167 6.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0144 -2.6154 4.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4392 -3.1445 6.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7107 -1.5778 4.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 -3.7724 3.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1929 -5.0039 3.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4126 -5.1429 5.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6764 -5.4423 5.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -1.7204 6.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9216 -2.7199 4.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6384 -0.3534 6.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5191 -1.1076 4.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9603 -1.8969 5.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7798 1.1124 4.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1005 1.2450 6.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9787 1.0097 3.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6466 2.4961 4.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3494 0.0604 5.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8945 1.6518 4.9554 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3628 1.3275 7.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3462 2.7462 7.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4261 1.4952 8.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5661 0.0290 8.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9347 1.5527 9.0178 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 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 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 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 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 35 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 57 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 54 48 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 6 76 1 0 7 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 20101 1 0 20102 1 0 21103 1 0 21104 1 0 25105 1 0 25106 1 0 26107 1 6 27108 1 0 27109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 36114 1 0 36115 1 0 36116 1 0 37117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 38122 1 0 42123 1 0 42124 1 0 43125 1 0 43126 1 0 44127 1 0 44128 1 0 45129 1 0 46130 1 0 47131 1 0 47132 1 0 48133 1 6 49134 1 6 50135 1 0 51136 1 0 51137 1 0 54138 1 1 55139 1 0 56140 1 0 57141 1 6 58142 1 0 59143 1 0 59144 1 0 60145 1 0 60146 1 0 61147 1 0 61148 1 0 62149 1 0 62150 1 0 63151 1 0 63152 1 0 63153 1 0 M CHG 2 31 -1 35 1 M END