HMDB0240530 RDKit 3D Hydroxytyrosol 3'-sulfate 25 25 0 0 0 0 0 0 0 0999 V2000 3.8711 1.0506 2.4869 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4525 0.6927 1.0670 S 0 0 0 0 0 6 0 0 0 0 0 0 4.6535 0.0517 0.4499 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1841 2.1857 0.3049 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1097 -0.2585 1.1495 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0772 -0.4255 0.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0423 0.3692 0.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1274 0.2163 -0.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3409 1.0683 -0.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3016 0.3502 0.5977 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6305 0.2334 1.8083 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0348 -0.7589 -1.4301 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0723 -1.5820 -1.5764 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -1.3834 -0.6788 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2745 -2.1515 -0.7406 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7813 2.2982 -0.4807 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1524 1.1462 1.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8310 1.2360 -1.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 2.0638 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2394 0.9202 0.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4933 -0.6576 0.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9002 -0.5614 2.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8775 -0.8929 -2.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1469 -2.3447 -2.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3340 -2.8659 -1.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 2 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 8 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 6 1 0 4 16 1 0 7 17 1 0 9 18 1 0 9 19 1 0 10 20 1 0 10 21 1 0 11 22 1 0 12 23 1 0 13 24 1 0 15 25 1 0 M END