HMDB0029184 RDKit 3D 4'-O-Methyl-(-)-epicatechin-7-O-sulphate 40 42 0 0 0 0 0 0 0 0999 V2000 6.4405 0.4200 -0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6518 -0.7135 -0.7166 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2904 -0.7680 -0.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6002 0.3477 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2166 0.3060 0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4982 -0.8465 -0.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0479 -0.8797 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6065 0.2485 -0.5555 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9763 0.3847 -0.2488 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7711 1.2661 -0.9572 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1014 1.4568 -0.7244 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0735 2.5859 -1.6472 S 0 0 0 0 0 4 0 0 0 0 0 0 -6.1426 3.2601 -0.8058 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7723 1.8660 -3.0118 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6697 0.7118 0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8990 -0.1929 1.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5578 -0.8884 2.0164 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5605 -0.3506 0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7799 -1.3080 1.5583 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3088 -0.8789 1.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2572 0.4462 1.9037 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2060 -1.9560 -0.5971 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5908 -1.9314 -0.7794 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2710 -3.0628 -1.1924 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3214 1.0962 -1.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5171 0.1589 -0.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1487 1.0107 0.3946 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1557 1.2564 0.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6762 1.1852 0.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4366 -1.7685 -0.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2976 1.8509 -1.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8617 0.8916 -2.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7270 0.8397 0.4988 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1050 -1.5634 2.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0953 -1.3817 2.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8295 -2.3039 1.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3297 -1.5463 2.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0859 0.5142 2.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6828 -2.8762 -0.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2702 -3.0145 -1.3144 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 11 15 2 0 15 16 1 0 16 17 1 0 16 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 6 22 1 0 22 23 2 0 23 24 1 0 23 3 1 0 20 7 1 0 18 9 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 5 29 1 0 7 30 1 0 10 31 1 0 14 32 1 0 15 33 1 0 17 34 1 0 19 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