HMDB0240512 RDKit 3D Epicatechin 5-sulfate 39 41 0 0 0 0 0 0 0 0999 V2000 -6.2549 0.4237 -0.4447 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7820 0.6802 -0.6260 S 0 0 0 0 0 6 0 0 0 0 0 0 -4.2045 -0.2572 -1.6329 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5705 2.2440 -1.2028 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0075 0.5811 0.8790 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0189 -0.4029 1.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4014 -1.6513 1.4998 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4755 -2.6540 1.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9301 -3.8785 2.1398 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1593 -2.3738 1.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7736 -1.1142 0.9194 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7109 -0.1352 0.7515 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3475 1.2002 0.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1054 1.4679 0.0992 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6216 1.9863 1.2821 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 0.1976 -0.3150 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2522 0.3581 -0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8768 1.5870 -0.4894 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2444 1.6152 -0.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0150 0.4768 -0.7731 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3938 0.5071 -0.9256 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3885 -0.7569 -0.7538 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1416 -1.9322 -0.8858 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0153 -0.7916 -0.6021 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5487 -0.8309 0.6233 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1729 2.8310 -0.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4330 -1.8176 1.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2359 -4.6266 1.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4245 -3.1311 1.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9274 1.4105 -0.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8161 1.9270 0.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2358 2.1920 -0.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4754 2.9826 1.2431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3796 -0.0914 -1.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2562 2.4591 -0.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7210 2.5913 -0.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9531 1.3278 -0.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6669 -2.8124 -0.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5529 -1.7889 -0.5914 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 2 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 2 0 16 25 1 0 12 6 1 0 24 17 1 0 25 11 1 0 4 26 1 0 7 27 1 0 9 28 1 0 10 29 1 0 13 30 1 0 13 31 1 0 14 32 1 6 15 33 1 0 16 34 1 6 18 35 1 0 19 36 1 0 21 37 1 0 23 38 1 0 24 39 1 0 M END