HMDB0029177 RDKit 3D 3'-O-Methyl-(-)-epicatechin-7-O-sulphate 41 43 0 0 0 0 0 0 0 0999 V2000 -3.3137 2.3139 -1.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2197 1.6864 -0.7045 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7335 0.6938 0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3869 0.3161 0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8829 -0.6658 0.9267 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4573 -1.0853 0.9131 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4215 0.0265 0.8837 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7115 -0.0906 0.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8026 0.5118 0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0554 0.3617 0.3623 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1952 0.9371 0.8625 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6351 2.5036 0.2924 S 0 0 0 0 0 4 0 0 0 0 0 0 6.4737 2.3776 -0.9734 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2009 3.3754 0.0087 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1713 -0.4248 -0.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0844 -1.0402 -1.3512 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1483 -1.8333 -2.4883 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8440 -0.8684 -0.7691 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6142 -1.4924 -1.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1678 -2.0858 -0.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3611 -2.6492 -0.6146 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7687 -1.2774 1.8013 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1019 -0.9219 1.8504 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5858 0.0638 1.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9337 0.4402 1.0502 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6400 3.0013 -1.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7491 1.5282 -2.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8731 2.8810 -2.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7131 0.8022 -0.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2401 -1.6058 1.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7055 1.1173 1.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4320 4.2912 -0.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1360 -0.5830 -1.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0681 -1.9520 -2.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9358 -2.3401 -1.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0116 -0.7943 -1.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4504 -2.9496 0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5188 -2.2788 -1.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 -2.0578 2.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8042 -1.3976 2.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2722 1.1650 0.4326 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 11 12 1 0 12 13 2 0 12 14 1 0 10 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 5 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 3 1 0 20 6 1 0 18 8 1 0 1 26 1 0 1 27 1 0 1 28 1 0 4 29 1 0 6 30 1 0 9 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 23 40 1 0 25 41 1 0 M END