HMDB0062408 RDKit 3D 5S-hydroxy-6E,8Z,11Z,14Z,17Z-eicosapentaenoic acid 53 52 0 0 0 0 0 0 0 0999 V2000 -8.4454 -0.4467 2.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0714 0.1054 1.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3226 -0.8147 0.8569 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8690 -0.5987 -0.3726 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0602 0.6288 -1.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0459 1.5254 -1.5303 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7658 1.4700 -1.3779 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0856 0.3831 -0.6432 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2021 -0.3088 -1.6105 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9153 -0.3831 -1.3828 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2029 0.1729 -0.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4826 -1.0324 0.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7659 -1.0443 0.5191 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5914 0.0577 0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9257 -0.0181 0.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8373 1.0592 -0.1609 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4865 1.5323 0.9771 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8533 0.6731 -1.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7719 -0.4327 -0.8063 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6048 -0.2227 0.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4580 -1.4648 0.5678 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2299 -1.8694 -0.3507 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4154 -2.2067 1.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7981 -1.1174 1.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1783 0.3951 2.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4382 -0.9330 3.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2257 1.0957 1.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5649 0.2756 2.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1026 -1.8216 1.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3458 -1.4662 -0.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6641 0.2910 -2.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9314 1.2096 -0.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4252 2.4390 -2.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0969 2.2693 -1.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6830 -0.2630 -0.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4058 0.8991 0.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6250 -0.7642 -2.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2909 -0.9017 -2.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 0.5322 0.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4814 0.9687 -0.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1778 -1.8269 0.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -1.9265 0.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2738 0.9875 -0.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3149 -0.9226 0.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2570 1.9602 -0.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8226 2.1045 1.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4835 1.5329 -1.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3321 0.3406 -2.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4919 -0.5675 -1.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2432 -1.4227 -0.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0104 -0.1209 1.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3093 0.6148 0.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0788 -1.8855 2.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 15 16 1 0 16 17 1 0 16 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 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 9 37 1 0 10 38 1 0 11 39 1 0 11 40 1 0 12 41 1 0 13 42 1 0 14 43 1 0 15 44 1 0 16 45 1 6 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