HMDB0240529 RDKit 3D Hydroxytyrosol 3'-glucuronide 41 42 0 0 0 0 0 0 0 0999 V2000 -5.1545 2.3411 -0.9511 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0870 2.1512 -0.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7223 3.0285 0.6648 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2469 0.9910 -0.6882 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1223 0.9885 0.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 -0.2097 -0.0960 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1086 -0.0698 0.3298 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1295 -0.0818 -0.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2510 0.1130 0.6132 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5314 0.1158 0.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7025 0.3231 1.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2059 -0.9769 1.5667 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2976 -0.7475 2.4001 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6981 -0.0829 -1.2188 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6186 -0.2743 -2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3114 -0.2774 -1.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2814 -0.4783 -2.4828 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1787 -1.2678 0.6742 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1886 -2.4181 -0.1313 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6251 -0.8558 0.8482 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7373 0.0956 1.8719 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1112 -0.2519 -0.4635 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9283 -1.1828 -1.4595 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7050 2.8327 1.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9693 1.0672 -1.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5056 -0.3793 -1.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0865 0.2684 1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5178 0.8615 0.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4020 0.9461 1.9269 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4554 -1.5214 2.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5830 -1.6139 0.7219 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6336 0.1687 2.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7286 -0.0775 -1.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7696 -0.4310 -3.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4346 -0.6223 -3.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7565 -1.4592 1.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7127 -2.2891 -0.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2208 -1.7356 1.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9945 0.0063 2.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1742 -0.0011 -0.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0030 -0.8188 -2.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 10 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 6 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 4 1 0 16 8 1 0 3 24 1 0 4 25 1 6 6 26 1 6 9 27 1 0 11 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 13 32 1 0 14 33 1 0 15 34 1 0 17 35 1 0 18 36 1 1 19 37 1 0 20 38 1 1 21 39 1 0 22 40 1 1 23 41 1 0 M END