HMDB0038363 RDKit 3D (-)-Epigallocatechin 3-(3-methyl-gallate) 54 57 0 0 0 0 0 0 0 0999 V2000 6.1864 -0.8455 -2.4934 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0047 -1.5363 -1.2593 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8229 -1.4481 -0.5405 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7447 -0.6831 -0.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5747 -0.6026 -0.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4583 0.1995 -0.7216 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5406 0.8394 -1.8018 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2627 0.3083 -0.0257 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8248 1.0848 -0.4733 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9959 2.2895 0.4665 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0266 3.1544 -0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8671 4.5174 -0.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7457 5.2051 0.1604 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9129 5.2272 -0.8917 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0503 4.6105 -1.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0528 5.3496 -1.9443 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1482 3.2435 -1.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1555 2.4982 -0.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2496 1.1124 -0.4491 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0894 0.3206 -0.6294 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1438 -0.9303 0.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5578 -0.9316 1.4781 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6165 -2.0829 2.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0408 -2.0312 3.5579 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2517 -3.3120 1.6862 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3329 -4.4379 2.5026 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8410 -3.3214 0.3863 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4721 -4.5254 -0.1887 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7866 -2.1642 -0.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -1.3098 0.9249 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5802 -2.0806 1.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4846 -2.7820 2.5598 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7368 -2.1507 0.6426 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8191 -2.9211 1.0842 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3867 0.2091 -2.2271 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2610 -0.8757 -3.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9796 -1.3009 -3.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8069 -0.1341 -1.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 1.5483 -1.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4378 1.9161 1.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0168 2.7327 0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0042 4.6995 0.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7669 6.3136 -0.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0853 5.5313 -2.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0499 2.7166 -1.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1347 -0.0027 -1.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8466 0.0366 1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0848 -2.8672 4.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1019 -5.3599 2.2261 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4868 -5.3974 0.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4577 -2.1823 -1.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6261 -1.2865 1.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6226 -2.7338 3.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7304 -3.4268 1.9552 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 1 0 23 25 2 0 25 26 1 0 25 27 1 0 27 28 1 0 27 29 2 0 5 30 2 0 30 31 1 0 31 32 1 0 31 33 2 0 33 34 1 0 33 3 1 0 20 9 1 0 29 21 1 0 18 11 1 0 1 35 1 0 1 36 1 0 1 37 1 0 4 38 1 0 9 39 1 6 10 40 1 0 10 41 1 0 13 42 1 0 14 43 1 0 16 44 1 0 17 45 1 0 20 46 1 6 22 47 1 0 24 48 1 0 26 49 1 0 28 50 1 0 29 51 1 0 30 52 1 0 32 53 1 0 34 54 1 0 M END