HMDB0029176 RDKit 3D 3'-O-Methyl-(-)-epicatechin-5-O-sulphate 40 42 0 0 0 0 0 0 0 0999 V2000 3.8454 -2.4433 0.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2090 -1.5364 -0.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5638 -0.3846 -0.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3932 -0.0580 0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6778 1.0779 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4458 1.4636 0.5896 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5873 1.8532 -0.3018 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8020 1.2085 -0.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8876 1.7567 -1.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1196 1.1549 -1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1568 1.7707 -1.8362 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2470 -0.0699 -0.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2035 -0.6548 0.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3650 -2.2170 0.9443 S 0 0 0 0 0 4 0 0 0 0 0 0 -4.7632 -2.3838 1.4981 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9590 -3.4668 -0.1206 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9679 -0.0053 0.2287 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8386 -0.6397 0.9653 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0367 0.4760 1.6009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9415 1.1149 2.4856 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1462 1.9193 -1.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2948 1.6174 -1.8352 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9970 0.4685 -1.5388 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1653 0.1617 -2.2525 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5725 -3.2146 1.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9013 -2.9625 0.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5306 -1.8546 1.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0226 -0.7058 0.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6672 2.4086 1.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7291 2.7178 -1.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7936 2.3963 -1.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2193 -0.5767 -0.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6712 -4.2755 0.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2176 -1.2809 1.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2683 -1.2341 0.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7588 0.0933 2.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3327 1.8535 1.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5943 2.8318 -1.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6395 2.2917 -2.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6824 -0.6720 -2.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 13 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 5 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 3 1 0 19 6 1 0 17 8 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 6 29 1 0 9 30 1 0 11 31 1 0 12 32 1 0 16 33 1 0 18 34 1 0 18 35 1 0 19 36 1 0 20 37 1 0 21 38 1 0 22 39 1 0 24 40 1 0 M END