HMDB0295877 RDKit 3D DG(18:0/0:0/PGF2alpha) 123123 0 0 0 0 0 0 0 0999 V2000 17.7073 -1.1152 -1.1606 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1974 -0.7746 -1.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0414 0.6261 -1.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8059 1.3379 -1.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5352 0.8008 -0.7811 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0215 -0.4421 -1.3702 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7961 -1.0566 -0.8123 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5128 -0.3945 -0.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2134 0.9251 -0.3753 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4177 1.1068 1.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7982 0.3590 2.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4324 0.2488 2.5298 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2890 -0.3529 1.8384 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8083 0.1376 0.5427 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5517 -0.4173 -0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2470 -0.1522 0.5634 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0376 -0.5658 1.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5892 -0.3165 2.3771 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3254 -0.6285 3.5584 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6634 0.2065 1.5226 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3339 0.4517 1.8383 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4563 -0.7832 2.0877 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0905 -1.5307 3.1242 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8620 -0.4291 2.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 0.3166 1.7089 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0289 -0.0818 0.4696 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7183 -1.2042 0.0468 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8645 0.8113 -0.4138 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3850 0.1204 -1.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2451 -1.0607 -1.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5262 -0.9070 -0.7414 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0876 0.2221 -0.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3984 0.2285 0.3432 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4783 1.0260 -0.3562 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.1536 2.4837 -0.5093 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.9122 2.8632 -0.0302 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1702 2.7595 -2.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2311 1.7478 -2.4985 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.2081 1.5789 -3.8616 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7658 0.5245 -1.7230 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.7167 -0.5831 -1.8318 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3291 -1.1673 -0.8326 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2722 -2.2733 -1.0148 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.6260 -3.5248 -0.9603 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.4264 -2.2434 -0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3072 -1.0650 -0.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7690 0.2665 0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3191 0.3607 1.6373 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5426 0.1018 2.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7834 -2.1958 -1.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3195 -0.4783 -1.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8062 -0.8585 -0.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0577 -1.0618 -2.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6846 -1.5002 -0.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9006 1.2733 -1.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3133 0.6780 0.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6372 1.4158 -2.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8838 2.4251 -0.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7219 0.5828 0.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8209 1.6521 -0.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8108 -0.2081 -2.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8034 -1.2130 -1.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0439 -1.3127 0.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6741 -2.1224 -1.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6468 -1.1374 -0.7382 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3419 -0.2678 -2.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8010 1.7163 -0.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1657 1.2227 -0.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1196 2.2247 1.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5548 1.2284 1.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3769 0.7237 3.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2457 -0.7335 2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0647 1.3256 2.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4049 -0.2143 3.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5446 -1.4968 1.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4448 -0.4512 2.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6213 -0.1459 -0.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8287 1.2620 0.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5285 -0.1991 -1.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6928 -1.5689 0.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4587 -0.6548 -0.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0099 0.9750 0.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5405 0.2405 2.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3923 -1.5385 2.2261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1853 1.0544 1.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2934 1.0435 2.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4764 -1.4076 1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4828 -2.2775 3.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3183 -1.3936 2.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7194 0.1464 3.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0806 1.5557 -0.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5366 1.4160 0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4823 -0.2173 -2.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9037 0.8571 -2.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7110 -1.9174 -0.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4662 -1.4771 -2.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1429 -1.8206 -0.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5890 1.1485 -0.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7692 -0.8101 0.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3326 0.6198 1.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3893 1.0039 0.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9346 3.1369 -0.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6034 3.6781 -0.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2250 2.5273 -2.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4524 3.7918 -2.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1882 2.1069 -2.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9123 2.1514 -4.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7795 0.2630 -2.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9279 -0.9482 -2.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0972 -0.8074 0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6845 -2.2330 -2.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3563 -4.2121 -0.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0045 -2.4068 0.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0641 -3.1493 -0.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8016 -1.0001 -1.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2019 -1.2267 0.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5809 1.0306 -0.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9477 0.5637 -0.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6052 -0.4592 1.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8762 1.3454 1.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5601 -0.9633 2.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4663 0.7810 3.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4796 0.3763 1.9459 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 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 40 34 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 6 62 1 0 7 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 9 68 1 0 10 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 21 85 1 0 21 86 1 0 22 87 1 6 23 88 1 0 24 89 1 0 24 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 1 35102 1 1 36103 1 0 37104 1 0 37105 1 0 38106 1 1 39107 1 0 40108 1 6 41109 1 0 42110 1 0 43111 1 6 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 49123 1 0 M END