HMDB0029182 RDKit 3D 4'-O-Methyl-(-)-epicatechin-5-O-sulphate 40 42 0 0 0 0 0 0 0 0999 V2000 6.2744 0.0049 -1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6557 0.0632 0.0429 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2841 0.1836 0.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5153 0.2470 -0.9912 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1623 0.3660 -0.8279 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5397 0.4246 0.4113 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0699 0.5533 0.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4459 -0.3593 -0.5379 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8213 -0.4466 -0.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4013 -0.8947 -1.8598 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7693 -0.9858 -1.9915 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3255 -1.4321 -3.1896 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5322 -0.6227 -0.9076 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9722 -0.1833 0.2707 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9835 0.2775 1.6503 S 0 0 0 0 0 4 0 0 0 0 0 0 -6.3131 -0.5034 1.6051 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3137 1.9558 1.4791 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6030 -0.0921 0.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0214 0.3783 1.6622 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5397 0.3004 1.7715 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0925 -0.9059 2.3153 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3103 0.3609 1.5376 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6801 0.2407 1.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4561 0.1766 2.5673 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9841 -0.9679 -1.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3800 0.0622 -1.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9456 0.8049 -1.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9969 0.2017 -1.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5665 0.4151 -1.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1648 1.6163 0.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7518 -1.1674 -2.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4832 -2.4309 -3.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6084 -0.6986 -1.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5179 2.0860 0.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4269 -0.3171 2.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4065 1.3813 1.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1927 1.1096 2.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4286 -1.6965 1.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8339 0.4058 2.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4607 0.0884 2.4845 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 11 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 14 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 12 32 1 0 13 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