HMDB0303771 RDKit 3D Quercetin 3-sulfate 36 38 0 0 0 0 0 0 0 0999 V2000 -2.6260 1.9795 0.4078 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9152 0.9558 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.0675 0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0092 2.3097 0.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1393 3.1104 -1.4647 S 0 0 0 0 0 6 0 0 0 0 0 0 0.4613 2.1591 -2.5685 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1392 3.8333 -1.8031 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3729 4.2474 -1.3983 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1919 -0.0751 0.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6204 -0.1549 -0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2443 -1.3830 -0.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -1.5212 -0.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3885 -0.3994 -0.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7717 -0.5173 -0.4467 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8362 0.8406 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6298 1.9672 0.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4385 0.9360 0.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 -1.2663 0.2917 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7058 -1.3811 0.4658 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3018 -2.6386 0.6099 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6612 -2.7258 0.7921 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2772 -3.9644 0.9378 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4565 -1.6013 0.8367 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9031 -0.3552 0.6987 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6361 0.8229 0.7323 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5284 -0.2721 0.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9841 5.1704 -1.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6094 -2.2499 -0.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0628 -2.4632 -0.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2149 -1.4074 -0.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6256 1.8769 -0.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1049 1.9301 0.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6543 -3.5093 0.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3718 -4.3389 1.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5190 -1.7044 0.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6487 0.7217 0.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 2 0 5 8 1 0 3 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 1 0 15 17 2 0 9 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 21 23 2 0 23 24 1 0 24 25 1 0 24 26 2 0 26 2 1 0 17 10 1 0 26 19 1 0 8 27 1 0 11 28 1 0 12 29 1 0 14 30 1 0 16 31 1 0 17 32 1 0 20 33 1 0 22 34 1 0 23 35 1 0 25 36 1 0 M END