HMDB0240507 RDKit 3D Epicatechin 3-sulfate 39 41 0 0 0 0 0 0 0 0999 V2000 1.3324 3.7694 2.4956 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0623 4.0712 1.7458 S 0 0 0 0 0 6 0 0 0 0 0 0 -1.0556 4.1022 2.7579 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2006 5.5545 0.9754 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2789 2.8374 0.6601 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3861 1.6791 0.9589 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3934 1.3048 -0.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7749 -0.1161 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7170 -0.6025 -1.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2728 0.3319 -1.8748 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0690 -1.9331 -1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5076 -2.8354 -0.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8629 -4.1861 -0.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5752 -2.3804 0.7479 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2248 -1.0209 0.7519 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2828 -0.6170 1.6727 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5104 0.5380 1.3460 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4586 0.0997 0.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7876 0.7744 -0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7077 0.2598 -1.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3158 -0.9586 -1.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2430 -1.4933 -2.3959 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9970 -1.6478 -0.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6336 -2.8779 -0.1537 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0947 -1.1241 0.5192 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0682 5.5465 0.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9945 1.9038 1.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0299 1.5655 -1.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3621 1.8712 0.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9623 -0.0202 -2.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8159 -2.2973 -1.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4317 -4.8170 0.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1187 -3.0539 1.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0830 0.7732 2.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3496 1.7196 -1.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9831 0.7763 -2.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6715 -2.3808 -2.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4058 -3.4101 0.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8693 -1.7059 1.4157 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 1 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 2 0 17 6 1 0 25 18 1 0 15 8 1 0 4 26 1 0 6 27 1 1 7 28 1 0 7 29 1 0 10 30 1 0 11 31 1 0 13 32 1 0 14 33 1 0 17 34 1 1 19 35 1 0 20 36 1 0 22 37 1 0 24 38 1 0 25 39 1 0 M END