HMDB0062296 RDKit 3D 15S-hydroxy-5Z,8Z,11Z,13E,17Z-eicosapentaenoic acid 53 52 0 0 0 0 0 0 0 0999 V2000 8.5213 0.2936 0.3997 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3983 -0.0671 -0.5719 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4071 1.0174 -0.6792 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1465 0.8129 -0.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5442 -0.4316 0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4442 -0.9384 -0.7912 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0107 -1.1786 -2.0647 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3537 0.0222 -0.9649 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2103 0.0064 -0.2465 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1886 1.0004 -0.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9152 1.0029 0.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1888 -0.0351 1.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3663 0.6792 2.5281 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4004 0.6449 3.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6326 -0.1012 3.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9071 -1.0291 2.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8364 -0.9975 1.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8067 0.0668 1.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8005 0.9000 -0.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9537 0.2305 -1.5253 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8541 -0.6409 -1.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7402 -0.5942 -1.4122 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0658 -1.5228 -3.0123 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5204 0.0006 0.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5554 1.3629 0.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3441 -0.3464 1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9430 -0.1929 -1.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9883 -1.0622 -0.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6942 1.9997 -1.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4227 1.6603 -0.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0373 -0.1581 1.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1985 -1.2564 0.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1314 -1.9260 -0.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7593 -2.0620 -2.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4259 0.8083 -1.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1913 -0.7921 0.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3399 1.7482 -1.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6872 1.7322 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0539 -0.5767 0.9233 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 -0.7578 1.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5073 1.3421 2.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3258 1.3030 4.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4644 0.6962 3.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8318 -0.6486 4.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2842 -1.9754 2.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8582 -1.8794 0.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8764 -0.3734 1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7627 0.7799 1.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8574 1.5252 -0.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6716 1.6175 -0.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1784 1.0231 -2.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8812 -0.4195 -1.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6991 -2.3129 -2.8944 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 1 0 6 8 1 0 8 9 2 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 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 1 7 34 1 0 8 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