HMDB0038371 RDKit 3D ent-Epicatechin-(4alpha->8)-ent-epicatechin-(4alpha->8)-ent-epicatechin 3',3'... 131141 0 0 0 0 0 0 0 0999 V2000 7.2842 1.4423 -1.3363 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8372 0.2891 -0.8124 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7904 -0.0786 -1.4553 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7572 -0.3717 -2.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5215 -1.8645 -2.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5994 -2.3022 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7738 -3.4261 -0.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9003 -4.2166 -0.5227 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7605 -3.8449 0.4764 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6193 -3.1029 0.6137 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6754 -3.5586 1.4973 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4016 -1.9117 -0.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0511 -1.3972 -0.0479 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8131 -2.0733 -1.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4884 -3.1127 -1.8565 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8104 -3.5351 -1.9067 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4535 -3.7120 -2.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8086 -3.3320 -2.6056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7037 -3.9588 -3.3881 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1544 -2.2797 -1.7739 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5496 -1.8126 -1.6277 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5190 -2.9329 -1.4936 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1942 -4.0875 -0.8214 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9627 -4.2674 -0.2127 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1301 -5.1249 -0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3733 -5.0086 -1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3406 -6.0486 -1.2531 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6654 -3.8426 -1.9934 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7571 -2.7937 -2.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0856 -1.6252 -2.7699 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4945 -0.4135 -2.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8377 -0.3108 -0.7939 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0478 -0.9009 -0.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4337 -0.8832 0.9586 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6380 -0.2791 1.9023 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0061 -0.2436 3.2658 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4649 0.2972 1.5048 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6840 0.8903 2.4795 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0830 0.2778 0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9836 -0.6624 -2.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7774 -0.8741 -3.7933 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1633 -1.6805 -1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2728 -0.5714 -0.1727 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5576 0.5430 -0.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7997 1.7979 0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3050 1.9332 1.4292 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5616 3.1661 1.9807 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3382 4.3459 1.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6101 5.5821 1.8925 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8284 4.2488 0.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5662 5.3582 -0.7237 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5839 3.0247 -0.5142 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 0.2445 -0.6376 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 0.7715 0.4842 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6843 1.1897 1.6638 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7379 0.2519 2.5488 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9304 2.5447 2.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1115 3.6362 1.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 4.9469 1.7874 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3747 5.9898 0.8781 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0893 5.2046 3.1478 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 6.4943 3.6798 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9092 4.1256 4.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 4.3966 5.3534 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 2.8212 3.5225 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4224 -1.5630 -0.9544 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3409 -0.4215 -1.6730 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4051 0.3618 -2.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6224 1.6613 -1.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2764 2.8049 -2.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5106 4.0432 -1.7038 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0244 4.2810 -0.5024 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2558 5.5347 0.0348 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3846 3.1370 0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8949 3.3785 1.5537 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1345 1.9219 -0.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5867 -0.2849 0.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5147 -1.5996 0.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2128 -2.2841 1.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1249 -3.6097 1.8824 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1568 -1.5080 2.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8729 -2.1725 3.3326 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2295 -0.2114 2.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1421 0.5814 2.7708 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5041 0.4551 1.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0139 -0.0592 -3.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5031 -2.3340 -2.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2054 -2.2047 -3.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6709 -4.0570 -1.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9298 -4.7404 1.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2111 -3.1185 1.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3757 -1.2299 0.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0857 -4.2810 -2.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 -4.5508 -3.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6639 -3.8489 -3.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5467 -1.4208 -0.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7505 -5.1082 0.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9192 -6.0595 -0.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2511 -6.7212 -2.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6208 -3.7392 -2.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7852 0.4702 -2.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6756 -1.3670 -1.0744 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3841 -1.3471 1.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9063 -0.6887 3.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9594 0.8976 3.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1566 0.7692 -0.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5250 0.3039 -2.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8349 -1.1140 -4.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7866 0.7731 -1.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5372 1.0651 2.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9754 3.2673 2.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4240 6.4150 1.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7795 6.2895 -0.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1709 2.8732 -1.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0961 -0.2445 -1.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1993 3.5052 0.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4354 6.9512 1.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2902 7.2927 3.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8658 5.3024 5.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7031 2.0246 4.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0964 0.5899 -3.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8541 2.7237 -3.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2179 4.9159 -2.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9762 6.3443 -0.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0369 4.3476 1.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4205 1.0684 0.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7865 -2.1878 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4640 -4.1913 1.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7514 -3.1706 3.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7034 0.2134 3.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6220 1.5026 0.8280 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 1 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 35 36 1 0 35 37 1 0 37 38 1 0 37 39 2 0 31 40 1 0 40 41 1 0 20 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 2 0 48 49 1 0 48 50 1 0 50 51 1 0 50 52 2 0 44 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 59 61 2 0 61 62 1 0 61 63 1 0 63 64 1 0 63 65 2 0 12 66 2 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 2 0 70 71 1 0 71 72 2 0 72 73 1 0 72 74 1 0 74 75 1 0 74 76 2 0 2 77 1 0 77 78 2 0 78 79 1 0 79 80 1 0 79 81 2 0 81 82 1 0 81 83 1 0 83 84 1 0 83 85 2 0 68 4 1 0 76 69 1 0 85 77 1 0 66 6 1 0 53 13 1 0 65 57 1 0 42 14 1 0 52 45 1 0 40 21 1 0 29 22 1 0 39 32 1 0 4 86 1 0 5 87 1 0 5 88 1 0 8 89 1 0 9 90 1 0 11 91 1 0 13 92 1 0 16 93 1 0 17 94 1 0 19 95 1 0 21 96 1 0 24 97 1 0 25 98 1 0 27 99 1 0 28100 1 0 31101 1 0 33102 1 0 34103 1 0 36104 1 0 38105 1 0 39106 1 0 40107 1 0 41108 1 0 44109 1 0 46110 1 0 47111 1 0 49112 1 0 51113 1 0 52114 1 0 53115 1 0 58116 1 0 60117 1 0 62118 1 0 64119 1 0 65120 1 0 68121 1 0 70122 1 0 71123 1 0 73124 1 0 75125 1 0 76126 1 0 78127 1 0 80128 1 0 82129 1 0 84130 1 0 85131 1 0 M END