HMDB0002115 RDKit 3D 8-isoprostaglandin PGF2b 59 59 0 0 0 0 0 0 0 0999 V2000 -6.3411 2.0455 -1.6656 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1201 0.8194 -0.8127 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8084 1.2150 0.6264 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5839 0.0248 1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4546 -0.8698 1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1121 -0.2141 1.0423 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0131 0.8560 0.1731 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0212 -1.1639 0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9681 -0.8218 -0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0512 -1.7896 -0.3387 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4358 -1.5835 0.1641 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3221 -0.6372 -0.5717 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8894 0.7445 -0.6773 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5703 1.7399 -0.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8226 1.5524 0.5545 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9922 2.2764 -0.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2720 2.0571 0.6605 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4194 2.7376 0.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3035 3.4173 -1.0089 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6758 2.6523 0.6143 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9794 -3.0117 -0.2130 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3457 -3.0506 -0.1162 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4552 -3.1300 -1.6326 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3138 -2.1324 -1.7853 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8137 -2.7549 -2.3183 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6902 1.9514 -2.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1402 2.9859 -1.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3805 2.1117 -2.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0554 0.2149 -0.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2993 0.1822 -1.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9985 1.9475 0.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7373 1.7505 0.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4991 0.3311 2.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5369 -0.5790 1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7232 -1.3380 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4144 -1.7092 1.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9002 0.1061 2.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9482 0.5495 -0.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0475 -2.1794 1.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9721 0.1828 -0.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2416 -2.8291 0.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5041 -1.4484 1.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4249 -0.9879 -1.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3568 -0.8072 -0.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9756 0.9596 -1.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2082 2.7936 -0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0740 0.5713 0.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6863 2.1649 1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1392 1.9471 -1.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8141 3.3706 -0.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4776 0.9490 0.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1753 2.4244 1.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1494 1.7756 0.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4747 -3.6814 0.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5904 -2.6171 0.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0222 -4.1466 -1.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2516 -2.9521 -2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5532 -1.2826 -2.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9049 -3.6905 -2.0145 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 12 13 1 0 13 14 2 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 11 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 24 10 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 6 37 1 1 7 38 1 0 8 39 1 0 9 40 1 0 10 41 1 1 11 42 1 1 12 43 1 0 12 44 1 0 13 45 1 0 14 46 1 0 15 47 1 0 15 48 1 0 16 49 1 0 16 50 1 0 17 51 1 0 17 52 1 0 20 53 1 0 21 54 1 1 22 55 1 0 23 56 1 0 23 57 1 0 24 58 1 6 25 59 1 0 M END