HMDB0240532 RDKit 3D Hydroxytyrosol 4'-sulfate 25 25 0 0 0 0 0 0 0 0999 V2000 -3.6908 0.5844 -1.2379 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8655 0.7155 0.2508 S 0 0 0 0 0 6 0 0 0 0 0 0 -3.4400 2.0904 0.6541 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4263 0.3529 0.7384 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7356 -0.3733 0.9616 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4198 -0.2093 0.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5874 0.6224 1.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7493 0.8082 0.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1911 0.0948 -0.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5940 0.2797 -0.6082 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4655 -0.7372 0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7776 -0.5169 -0.3137 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3863 -0.7536 -0.9354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9348 -0.8912 -0.5151 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7864 -1.7202 -1.1929 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0102 1.0561 0.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9767 1.1536 2.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3669 1.4677 1.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9330 1.3062 -0.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6918 0.1402 -1.7092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3467 -0.6316 1.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1619 -1.7551 -0.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9698 0.4635 -0.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7113 -1.3108 -1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4717 -2.2365 -1.9966 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 2 0 9 10 1 0 10 11 1 0 11 12 1 0 9 13 1 0 13 14 2 0 14 15 1 0 14 6 1 0 4 16 1 0 7 17 1 0 8 18 1 0 10 19 1 0 10 20 1 0 11 21 1 0 11 22 1 0 12 23 1 0 13 24 1 0 15 25 1 0 M END