HMDB0289554 RDKit 3D PC(PGE2/P-18:0) 142142 0 0 0 0 0 0 0 0999 V2000 5.1505 -5.6936 0.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0404 -6.5418 0.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6569 -5.8966 0.4552 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6704 -6.8688 -0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2454 -6.5892 -0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 -5.4883 -0.6843 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4765 -5.4327 -2.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7494 -5.2392 -2.9307 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4175 -3.8541 -2.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7013 -3.8828 -3.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5612 -2.7311 -3.6301 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0811 -1.9376 -2.4948 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0199 -1.1247 -1.8627 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5122 -0.2338 -0.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3337 0.6097 -0.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 -0.1265 0.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1218 0.9157 0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0096 1.1010 -0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7836 2.1544 0.4596 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1759 2.1556 0.3274 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6614 2.3916 -1.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1291 1.5609 -2.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4941 1.8571 -3.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2812 2.7952 -3.5518 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9463 1.0800 -4.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4356 1.1493 -4.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9261 2.6017 -4.3048 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5337 2.4990 -4.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2924 2.9256 -3.2134 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8427 3.6003 -2.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5692 4.9357 -1.8059 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2534 5.7937 -3.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9383 5.4538 -4.1317 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3988 7.2127 -2.5912 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4496 7.1468 -1.1080 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7975 8.1302 -0.4448 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9147 5.7154 -0.7317 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4251 5.5512 0.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6389 5.0304 1.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8619 4.7776 2.9943 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2210 5.4785 3.7088 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9798 3.5131 3.6642 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1014 2.5652 3.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9023 1.3262 4.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9080 0.2694 4.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6676 -0.9307 4.9612 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7318 3.2093 1.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8221 3.1463 2.3933 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7680 2.5305 3.7433 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.9717 3.3753 3.8453 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7592 2.7910 5.0796 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.9088 0.9637 3.3720 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7103 0.0204 3.6164 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3657 -1.2637 2.8085 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0777 -1.8085 3.0558 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.1651 -2.7821 4.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9706 -0.9340 3.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7640 -2.6401 1.8591 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9411 -4.6279 0.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5867 -6.1249 1.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0184 -5.7750 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1788 -6.6479 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1093 -7.5441 0.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6156 -5.8677 1.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 -4.8772 0.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8183 -7.8030 0.5989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0026 -7.3072 -1.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2853 -7.5468 -0.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -6.6048 1.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5331 -5.5366 -0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1111 -4.5163 -0.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 -6.3342 -2.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1839 -4.5810 -2.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4346 -5.1706 -4.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5334 -5.9711 -2.9151 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7207 -3.1081 -3.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6268 -3.7837 -1.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 -4.3388 -4.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3649 -4.7315 -3.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0129 -1.9729 -4.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4242 -3.0486 -4.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9067 -1.2860 -2.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5968 -2.6186 -1.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5386 -0.4982 -2.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2366 -1.7276 -1.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8180 -0.8698 0.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3496 0.3755 -1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 1.4435 0.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9779 1.0720 -1.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3577 -0.5961 1.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7552 -0.8353 -0.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3685 1.5370 1.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 0.5104 -0.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6237 1.1976 0.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7677 2.2523 -1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4591 3.4391 -1.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2020 -0.0058 -4.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3455 1.3356 -5.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9838 0.6490 -5.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1595 0.5977 -3.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4379 3.2231 -3.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2008 2.9954 -5.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0288 1.9968 -5.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3845 2.7252 -3.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8236 3.0329 -1.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2551 3.8722 -2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 4.7916 -1.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5403 7.8566 -2.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3699 7.5911 -2.9902 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5327 7.1431 -0.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8282 8.0287 0.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 5.7366 -0.7792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4026 5.8482 0.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3591 4.7150 1.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7386 5.4754 3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5124 4.9229 4.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0133 2.9419 3.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0871 3.6746 4.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3289 2.3676 2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0478 3.0346 3.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8993 0.9229 4.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9154 1.6918 5.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9059 -0.1624 3.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9344 0.6204 4.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7269 -0.8298 5.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4973 -1.0034 5.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6688 -1.8811 4.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6106 4.2248 0.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7216 2.9335 1.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8061 0.2421 3.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7378 -0.3421 4.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1786 -1.9741 3.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4352 -1.0326 1.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6498 -3.7123 3.8594 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5915 -2.3394 4.9993 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2192 -2.9500 4.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0227 0.0678 2.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0411 -1.3912 2.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7498 -0.8630 4.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7214 -2.9775 1.9214 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8404 -1.9981 0.9601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5139 -3.4309 1.8193 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 1 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 2 3 18 19 1 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 2 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 20 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 55 58 1 0 37 31 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 6 71 1 0 7 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 9 77 1 0 10 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 18 93 1 0 20 94 1 1 21 95 1 0 21 96 1 0 25 97 1 0 25 98 1 0 26 99 1 0 26100 1 0 27101 1 0 27102 1 0 28103 1 0 29104 1 0 30105 1 0 30106 1 0 31107 1 1 34108 1 0 34109 1 0 35110 1 6 36111 1 0 37112 1 1 38113 1 0 39114 1 0 40115 1 1 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 46127 1 0 47128 1 0 47129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 56134 1 0 56135 1 0 56136 1 0 57137 1 0 57138 1 0 57139 1 0 58140 1 0 58141 1 0 58142 1 0 M CHG 2 51 -1 55 1 M END