HMDB0062222 RDKit 3D 18R-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid 53 52 0 0 0 0 0 0 0 0999 V2000 -6.5594 0.1852 2.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5851 1.0776 1.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8807 0.3489 -0.0281 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9052 1.1543 -1.1454 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4728 0.1953 0.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5930 -0.5415 -0.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2308 -0.6913 0.1249 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3954 -1.4214 -0.5765 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6457 -2.1541 -1.7873 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0018 -1.8501 -3.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2006 -0.9252 -3.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3353 0.1658 -2.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7956 0.1452 -2.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5021 0.1227 -1.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9672 0.1243 -0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5403 1.3041 0.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2906 1.2249 1.7288 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6359 -0.0647 2.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1585 -0.1604 2.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5313 -0.0659 0.8188 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0003 -0.1579 0.7169 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5705 -1.1612 1.2104 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7455 0.8161 0.1046 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5361 0.2963 2.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3691 -0.8575 2.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7915 0.4931 3.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6055 1.3904 0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0303 1.9987 1.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3434 -0.6354 -0.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6511 0.6747 -1.9721 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0606 0.6654 1.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9818 -0.9968 -1.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8407 -0.1989 1.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3795 -1.4955 -0.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7795 -2.2323 -1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4459 -3.2835 -1.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2535 -2.5689 -3.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2124 -0.8705 -4.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1003 1.1125 -3.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1983 0.3742 -1.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3493 0.1489 -3.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6174 0.0981 -1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.3261 0.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1210 -0.8371 0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2945 2.2870 0.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6778 2.1780 2.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1554 -0.9250 1.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4007 0.0571 3.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5225 -1.0621 2.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5370 0.7380 2.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0994 0.8557 0.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0585 -0.9074 0.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6523 1.0898 0.5064 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 3 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 6 4 30 1 0 5 31 1 0 6 32 1 0 7 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 10 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 13 41 1 0 14 42 1 0 15 43 1 0 15 44 1 0 16 45 1 0 17 46 1 0 18 47 1 0 18 48 1 0 19 49 1 0 19 50 1 0 20 51 1 0 20 52 1 0 23 53 1 0 M END