HMDB0041784 RDKit 3D trans-Resveratrol 4'-sulfate 33 34 0 0 0 0 0 0 0 0999 V2000 5.4707 -0.6597 1.5313 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2036 0.0171 0.3936 S 0 0 0 0 0 6 0 0 0 0 0 0 7.4375 -0.7495 0.0893 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5447 1.5848 0.9277 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2108 0.0576 -0.9878 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8511 -0.1064 -0.8209 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2774 -1.3527 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9207 -1.5248 -0.6931 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0886 -0.4351 -0.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3531 -0.6166 -0.3049 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1966 0.3585 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6519 0.1839 0.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 -1.0399 0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6522 -1.1604 0.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2953 -2.3720 0.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4106 -0.0262 0.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8265 1.2242 0.4638 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5492 2.3894 0.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4616 1.2931 0.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6730 0.8039 -0.4452 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0516 0.9872 -0.6129 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2278 2.2467 0.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8713 -2.2508 -1.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4471 -2.4951 -0.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7777 -1.6342 -0.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8388 1.3860 -0.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7173 -1.9457 -0.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6782 -2.8111 -0.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4787 -0.0670 0.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6956 2.7343 1.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9841 2.2841 0.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0927 1.7041 -0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4697 1.9922 -0.5763 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 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 17 18 1 0 17 19 2 0 9 20 1 0 20 21 2 0 21 6 1 0 19 12 1 0 4 22 1 0 7 23 1 0 8 24 1 0 10 25 1 0 11 26 1 0 13 27 1 0 15 28 1 0 16 29 1 0 18 30 1 0 19 31 1 0 20 32 1 0 21 33 1 0 M END