HMDB0240500 RDKit 3D Dihydroresveratrol 3-sulfate 35 36 0 0 0 0 0 0 0 0999 V2000 6.5145 1.8944 -0.5127 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3392 1.3947 0.2719 S 0 0 0 0 0 6 0 0 0 0 0 0 5.8289 0.3868 1.2502 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6838 2.7010 1.0959 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2263 0.6898 -0.7804 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2599 -0.2153 -0.3889 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5228 -1.5756 -0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5438 -2.4708 0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8215 -3.8379 0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3184 -1.9778 0.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0525 -0.6261 0.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3128 -0.1651 0.8342 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1595 -0.1305 -0.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5371 0.3030 -0.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4845 -0.6542 0.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8021 -0.3554 0.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1910 0.9677 0.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5015 1.3016 0.5671 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2586 1.9436 0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9420 1.6265 -0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0234 0.2654 0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7712 2.9272 0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5052 -1.9551 -0.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6231 -4.3690 -0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5779 -2.7188 0.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7404 -0.9386 1.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2374 0.8238 1.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1768 -1.1643 -0.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6425 0.4860 -1.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2077 -1.7097 0.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5599 -1.0886 0.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9081 1.5267 1.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5640 2.9909 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1932 2.3806 -0.4663 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8067 1.3432 0.0071 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 8 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 11 21 2 0 21 6 1 0 20 14 1 0 4 22 1 0 7 23 1 0 9 24 1 0 10 25 1 0 12 26 1 0 12 27 1 0 13 28 1 0 13 29 1 0 15 30 1 0 16 31 1 0 18 32 1 0 19 33 1 0 20 34 1 0 21 35 1 0 M END