HMDB0037945 RDKit 3D Epicatechin 3-O-(3-O-methylgallate) 53 56 0 0 0 0 0 0 0 0999 V2000 6.8400 1.4594 -0.6344 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5129 1.2424 0.7100 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1936 0.9550 1.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1648 0.8707 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8747 0.5867 0.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8007 0.5029 -0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0143 0.6879 -1.6509 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4925 0.2184 -0.0682 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 0.1311 -0.9896 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6257 1.1513 -0.8106 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4816 1.0804 -2.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1123 2.1891 -2.5081 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9440 3.3846 -1.8226 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8864 2.0813 -3.6363 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0194 0.8667 -4.2794 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8174 0.8244 -5.4166 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3879 -0.2625 -3.8158 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6003 -0.1465 -2.6655 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 -1.3006 -2.2267 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1320 -1.2545 -1.0988 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8026 -1.7361 0.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1170 -1.4267 0.3726 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7646 -1.8628 1.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0581 -2.6222 2.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6465 -3.0933 3.6178 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7425 -2.9435 2.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0269 -3.7071 3.1235 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1213 -2.4906 1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5863 0.3783 1.8862 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6033 0.4550 2.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2621 0.2386 4.1513 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8781 0.7389 2.4296 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9180 0.8274 3.3191 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9510 1.4294 -0.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4233 2.3894 -1.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3870 0.6167 -1.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3776 1.0348 -0.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0997 0.3370 -2.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2945 1.0110 0.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1745 2.1776 -0.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4204 4.1956 -2.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3998 2.9473 -4.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9393 -0.0427 -5.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5237 -1.1850 -4.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 -1.9258 -1.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7262 -0.8437 -0.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7914 -1.6084 1.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5934 -2.8995 3.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4843 -4.0269 3.9594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0939 -2.7552 0.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5804 0.1529 2.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9440 0.2800 4.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8009 0.6916 4.2965 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 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 2 0 5 29 2 0 29 30 1 0 30 31 1 0 30 32 2 0 32 33 1 0 32 3 1 0 20 9 1 0 28 21 1 0 18 11 1 0 1 34 1 0 1 35 1 0 1 36 1 0 4 37 1 0 9 38 1 6 10 39 1 0 10 40 1 0 13 41 1 0 14 42 1 0 16 43 1 0 17 44 1 0 20 45 1 6 22 46 1 0 23 47 1 0 25 48 1 0 27 49 1 0 28 50 1 0 29 51 1 0 31 52 1 0 33 53 1 0 M END