HMDB0301932 RDKit 3D Epicatechin-(4beta->8)-epicatechin 3'-gallate 83 89 0 0 0 0 0 0 0 0999 V2000 4.6461 -1.1799 -2.7515 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3740 -0.8761 -1.5857 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1990 -0.2281 -1.3519 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2584 0.1275 -2.3425 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1877 1.6214 -2.5596 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3249 2.3115 -1.6087 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5799 3.5831 -1.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6765 4.3140 -1.5947 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6979 4.1871 -0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4108 3.5001 0.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2499 4.1242 1.0668 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6765 2.2222 -0.2474 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8606 1.5069 0.2237 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8845 1.2767 1.6981 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6957 1.2434 2.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5023 1.4323 1.7259 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7522 1.0311 3.7629 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9383 0.8433 4.4635 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9377 0.6285 5.8436 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1057 0.8793 3.7339 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0824 1.0954 2.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2701 1.1317 1.6228 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3772 1.8562 0.4165 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5388 1.2962 -0.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4283 2.1357 -0.9633 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5271 1.6633 -1.6629 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7596 0.3115 -1.7391 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8669 -0.1251 -2.4466 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8873 -0.5524 -1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1531 -1.9143 -1.2101 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7857 -0.0610 -0.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1443 1.9404 -0.3803 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4124 1.2476 -1.5967 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2136 1.6516 -1.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0378 0.3764 -1.5797 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9088 -0.4673 -2.1735 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9426 -1.7857 -1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9883 -1.8491 -0.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0211 -3.0441 0.5943 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 -4.2274 -0.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0394 -5.4191 0.5547 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9616 -4.2140 -1.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9494 -5.4289 -2.1828 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9295 -2.9886 -2.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3417 -1.2364 -0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0912 -0.9631 0.7978 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9958 -1.2816 1.8029 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7019 -0.9903 3.1167 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1877 -1.8886 1.4937 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1566 -2.2433 2.4461 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4392 -2.1630 0.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6522 -2.7802 -0.1519 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5358 -1.8438 -0.8351 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6885 -0.2621 -3.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2020 2.0366 -2.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7246 1.7520 -3.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 4.0096 -2.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9224 5.2011 0.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 3.6565 1.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7344 0.4371 -0.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 1.4259 2.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1661 0.9993 4.3525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8806 -0.3139 6.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0733 0.7406 4.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7051 2.8984 0.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2315 3.2173 -0.8947 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1775 2.4059 -2.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0681 -1.1161 -2.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5418 -2.5980 -0.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1315 -0.7605 0.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0014 2.9999 -0.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9874 1.8156 -2.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5003 -0.6923 -3.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0002 -0.9094 0.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0583 -3.0672 1.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0348 -6.3324 0.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9171 -5.5626 -3.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8948 -2.9904 -3.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 -0.4853 1.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2747 -1.1756 3.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0322 -2.0726 3.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8397 -2.9836 -1.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7446 -2.0610 -1.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 27 29 1 0 29 30 1 0 29 31 2 0 23 32 1 0 32 33 1 0 12 34 2 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 2 0 40 41 1 0 40 42 1 0 42 43 1 0 42 44 2 0 2 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 47 49 2 0 49 50 1 0 49 51 1 0 51 52 1 0 51 53 2 0 36 4 1 0 44 37 1 0 53 45 1 0 34 6 1 0 32 13 1 0 21 14 1 0 31 24 1 0 4 54 1 6 5 55 1 0 5 56 1 0 8 57 1 0 9 58 1 0 11 59 1 0 13 60 1 6 16 61 1 0 17 62 1 0 19 63 1 0 20 64 1 0 23 65 1 1 25 66 1 0 26 67 1 0 28 68 1 0 30 69 1 0 31 70 1 0 32 71 1 6 33 72 1 0 36 73 1 6 38 74 1 0 39 75 1 0 41 76 1 0 43 77 1 0 44 78 1 0 46 79 1 0 48 80 1 0 50 81 1 0 52 82 1 0 53 83 1 0 M END