HMDB0291517 RDKit 3D CDP-DG(18:3(6Z,9Z,12Z)/PGD2) 152154 0 0 0 0 0 0 0 0999 V2000 16.3962 -1.4507 2.8129 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1177 -0.4059 1.9873 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1566 0.7411 1.7083 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9902 0.2011 0.9473 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9646 1.3246 0.6394 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4604 1.8937 1.8846 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2457 1.9658 2.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0078 1.5217 1.7359 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9919 0.9542 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6217 -0.2959 0.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1813 -1.3087 1.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8331 -1.8529 1.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8631 -1.5387 0.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7957 -0.5157 -0.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6430 0.4450 -0.4383 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5723 1.5263 -1.4401 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3414 1.0192 -2.8304 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0802 0.2803 -2.9579 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8363 -0.2432 -4.0996 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1896 0.1469 -1.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0129 -0.5781 -2.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 -0.6474 -0.9216 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8912 -1.4263 -1.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6721 -1.0520 -2.7012 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9555 -1.2870 -3.1092 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.2055 -0.9877 -4.5603 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3259 -2.9288 -2.8032 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9655 -0.3617 -2.1496 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3170 1.1506 -2.7607 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.2398 2.1173 -2.2908 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3809 1.2062 -4.4418 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8042 1.6433 -2.1348 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8471 1.5347 -3.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8934 0.4987 -2.6113 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3320 -0.3149 -1.7085 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7925 -1.5726 -1.5151 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3476 -2.5523 -2.5027 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5014 -2.3050 -3.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1130 -3.2814 -4.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6220 -4.5481 -4.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2456 -5.5517 -5.2175 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4800 -4.7883 -3.2795 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8219 -3.8161 -2.4212 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6385 -4.1121 -1.4825 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3490 -2.0326 -0.1308 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1756 -1.2150 0.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9720 -2.0178 0.6647 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9764 -1.4651 1.3469 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7236 -0.0076 1.4485 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5635 0.2658 2.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7753 0.0641 1.6496 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9552 0.9829 0.4994 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3159 2.0598 0.4933 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7997 0.6591 -0.5261 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4116 -2.0451 0.9022 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9961 -1.5013 2.1489 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7643 -1.5976 0.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0019 -0.2275 0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1273 -0.0353 -0.3675 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1819 0.9713 0.2258 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7451 1.7984 1.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7399 1.4085 2.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2786 2.2583 3.2595 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.2745 3.1370 3.6495 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4398 3.0442 2.6369 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4988 2.1398 2.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2232 1.2672 3.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0968 1.9027 4.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4040 2.7972 5.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3595 1.8062 -0.9883 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.7022 2.2678 -0.9573 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1504 1.2115 -2.3153 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.2954 0.5086 -2.7819 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1401 -2.3329 2.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0766 -1.7699 3.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4590 -1.0358 3.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9449 0.0447 2.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4918 -0.8074 1.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7354 1.4727 1.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9128 1.1687 2.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4982 -0.5898 1.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3576 -0.2409 0.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5696 2.1351 0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2869 0.9298 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2683 2.3400 2.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1493 2.4588 3.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5173 0.8159 2.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2638 2.4173 1.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2549 1.5973 -0.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7107 -0.5990 -0.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3629 -1.0554 2.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9221 -2.1977 0.9448 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6313 -2.6796 1.7469 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9123 -2.1210 0.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4147 -0.9938 -1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6344 0.1159 -0.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7690 -0.1861 -0.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8758 0.8735 0.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7516 2.2444 -1.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5581 2.0687 -1.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3174 1.8915 -3.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2278 0.4262 -3.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1982 -1.5988 -2.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4028 -0.0667 -2.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6472 -1.1735 -0.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -2.5086 -1.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0044 -1.1178 -0.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0156 -3.4945 -3.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5614 1.6116 -4.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4817 1.3693 -4.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3066 2.5655 -3.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1020 -0.0856 -3.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8982 -1.6701 -1.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0990 -1.2960 -3.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4145 -2.9989 -5.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0554 -6.5069 -4.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1641 -5.3225 -6.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9119 -3.0736 -0.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9659 -0.3568 -0.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4763 -0.7512 1.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9493 -3.0388 0.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3016 -2.1667 1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4571 0.3674 0.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6384 0.5611 1.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 -0.4371 3.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 1.3082 2.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9493 -0.9919 1.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5471 0.3879 2.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5405 -3.1436 1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7909 -1.1727 2.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2180 -2.3576 -0.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4056 -1.7596 1.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1320 0.8348 0.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2679 2.7764 1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1902 0.4375 1.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5989 1.6329 4.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6654 3.9674 4.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0298 3.5823 1.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8384 3.8196 3.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2908 2.7953 1.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1364 1.5244 1.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9162 0.6126 2.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5619 0.4876 3.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9522 2.4508 3.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6587 1.1127 4.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5775 3.8826 4.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3513 2.5595 5.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9095 2.6789 6.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7763 2.7632 -0.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1602 2.1572 -1.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1600 2.1063 -3.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2964 0.5163 -3.7569 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 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 1 0 25 26 2 0 25 27 1 0 25 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 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 40 42 2 0 42 43 1 0 43 44 2 0 36 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 45 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 58 59 2 0 58 60 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 63 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 60 70 1 0 70 71 1 0 70 72 1 0 72 73 1 0 54 22 1 0 72 34 1 0 43 37 1 0 1 74 1 0 1 75 1 0 1 76 1 0 2 77 1 0 2 78 1 0 3 79 1 0 3 80 1 0 4 81 1 0 4 82 1 0 5 83 1 0 5 84 1 0 6 85 1 0 7 86 1 0 8 87 1 0 8 88 1 0 9 89 1 0 10 90 1 0 11 91 1 0 11 92 1 0 12 93 1 0 13 94 1 0 14 95 1 0 14 96 1 0 15 97 1 0 15 98 1 0 16 99 1 0 16100 1 0 17101 1 0 17102 1 0 21103 1 0 21104 1 0 22105 1 1 23106 1 0 23107 1 0 27108 1 0 31109 1 0 33110 1 0 33111 1 0 34112 1 6 36113 1 1 38114 1 0 39115 1 0 41116 1 0 41117 1 0 45118 1 6 46119 1 0 46120 1 0 47121 1 0 48122 1 0 49123 1 0 49124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 55129 1 1 56130 1 0 57131 1 0 57132 1 0 60133 1 1 61134 1 0 62135 1 0 63136 1 1 64137 1 0 65138 1 0 65139 1 0 66140 1 0 66141 1 0 67142 1 0 67143 1 0 68144 1 0 68145 1 0 69146 1 0 69147 1 0 69148 1 0 70149 1 1 71150 1 0 72151 1 6 73152 1 0 M END