HMDB0302998 RDKit 3D Orsellinic acid 2-O-beta-D-glucoside 41 42 0 0 0 0 0 0 0 0999 V2000 5.1610 -0.7946 0.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9795 0.0496 -0.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1654 1.3335 -0.6108 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0524 2.0734 -0.9146 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 3.3733 -1.3779 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7932 1.5362 -0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5815 0.2606 -0.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3805 -0.3467 -0.1318 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9039 0.1697 -0.3606 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4383 -0.5591 -1.4131 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7880 -0.3932 -1.5913 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1642 1.0510 -1.7534 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5277 1.2151 -1.9337 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4719 -1.0667 -0.4349 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3874 -2.4527 -0.6785 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9028 -0.7303 0.8921 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9294 -0.0998 1.6389 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6807 0.0884 0.9039 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8655 -0.3493 1.9775 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7211 -0.4785 -0.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5856 -1.8569 0.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5583 -2.8404 -0.3002 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4873 -2.0559 1.8491 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0738 -0.1676 0.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0284 -1.1957 1.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2025 -1.6158 -0.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1763 1.7413 -0.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2302 4.1365 -0.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9583 2.1409 -1.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8404 1.2321 -0.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0809 -0.9293 -2.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8078 1.7133 -0.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6806 1.3976 -2.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6952 2.1683 -2.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5766 -0.8435 -0.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6276 -2.6847 -1.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7329 -1.6977 1.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5286 0.4149 1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9655 1.1407 1.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 -1.3174 1.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9467 -2.7606 2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 11 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 7 20 2 0 20 21 1 0 21 22 2 0 21 23 1 0 20 2 1 0 18 9 1 0 1 24 1 0 1 25 1 0 1 26 1 0 3 27 1 0 5 28 1 0 6 29 1 0 9 30 1 0 11 31 1 0 12 32 1 0 12 33 1 0 13 34 1 0 14 35 1 0 15 36 1 0 16 37 1 0 17 38 1 0 18 39 1 0 19 40 1 0 23 41 1 0 M END