HMDB0038373 RDKit 3D [Gallocatechin(4alpha->8)]2catechin 103111 0 0 0 0 0 0 0 0999 V2000 -3.6548 4.9176 -2.8161 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1703 3.6224 -2.7213 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8627 3.3703 -2.3649 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 2.0804 -2.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0531 1.8226 -1.9088 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2034 1.0355 -2.5313 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5109 1.2837 -2.8881 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0153 2.5671 -2.9893 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2798 0.1587 -3.1371 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1677 -1.0320 -2.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2448 -0.9820 -1.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4374 0.1365 -0.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4645 0.1780 0.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6182 1.3357 1.1009 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2869 -0.9003 0.5191 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3234 -0.8805 1.4690 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0995 -2.0397 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9394 -3.1210 -0.0687 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0657 -2.0616 -1.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7967 -1.1636 -1.6996 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4630 -2.5337 -1.8404 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8082 -0.3862 -2.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3892 -0.5721 -2.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5427 -0.5636 -3.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1054 -0.4231 -4.4857 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8922 -0.6886 -2.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3462 -0.8277 -1.6238 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7344 -0.9572 -1.3736 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4342 -0.8362 -0.6124 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0945 -0.7142 -0.8484 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8415 -0.7317 0.2198 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4606 -1.1365 1.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4563 -1.9615 2.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0347 -3.0521 1.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9846 -3.8218 2.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5347 -4.9116 1.6801 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3712 -3.5203 3.5966 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3133 -4.2728 4.2979 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7867 -2.4186 4.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1798 -2.1086 5.4855 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8403 -1.6498 3.5055 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8849 -1.8936 1.4194 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2095 -2.4370 2.6193 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8321 -0.9241 0.8182 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2442 -1.1557 1.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7698 -2.4100 0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9895 -3.5629 0.7299 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1227 -2.5684 1.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9578 -1.4526 1.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3162 -1.6663 1.5098 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4411 -0.1841 1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0701 -0.0672 1.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5476 1.2392 1.2821 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2715 2.3835 1.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5345 3.1238 0.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8693 2.5203 -0.8744 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1060 3.2809 -2.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0035 4.6557 -1.9825 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2450 5.3775 -3.1378 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6646 5.2620 -0.7916 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5698 6.6615 -0.7892 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4329 4.5028 0.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4954 2.0508 2.3496 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2437 3.2036 2.5911 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2974 0.9922 1.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0566 5.3196 -1.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2005 4.2220 -2.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5498 2.6134 -1.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0545 2.7069 -3.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3422 -1.9216 -3.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8244 1.0283 -0.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3282 1.4298 1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9053 -1.6969 1.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7759 -3.9468 -0.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9886 -2.9897 -1.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9664 -0.8786 -0.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3013 -3.0721 -1.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9295 -0.7379 -3.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7571 -0.4115 -5.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6282 -0.6826 -3.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3465 -0.9430 -2.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2098 -0.2102 2.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7412 -3.3129 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2185 -5.5372 2.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7787 -5.0830 3.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8540 -2.6401 6.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -0.7900 4.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6577 -2.7482 0.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0582 -3.4227 2.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5881 0.1065 1.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3681 -4.4817 0.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5573 -3.5593 1.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9246 -0.8925 1.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5761 3.0199 2.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9495 1.4431 -0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3676 2.7715 -2.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1638 6.3924 -3.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3265 7.1114 0.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1659 5.0038 1.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1359 1.6424 3.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6785 3.7734 3.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6789 1.4219 0.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1649 0.7805 2.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 6 2 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 2 0 10 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 26 27 2 0 27 28 1 0 27 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 35 37 2 0 37 38 1 0 37 39 1 0 39 40 1 0 39 41 2 0 32 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 46 48 1 0 48 49 2 0 49 50 1 0 49 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 2 0 58 59 1 0 58 60 1 0 60 61 1 0 60 62 2 0 54 63 1 0 63 64 1 0 63 65 1 0 8 2 1 0 19 11 1 0 30 23 1 0 41 33 1 0 52 45 1 0 62 55 1 0 22 6 1 0 44 29 1 0 65 51 1 0 1 66 1 0 3 67 1 0 5 68 1 0 8 69 1 0 10 70 1 0 12 71 1 0 14 72 1 0 16 73 1 0 18 74 1 0 19 75 1 0 20 76 1 0 21 77 1 0 22 78 1 0 25 79 1 0 26 80 1 0 28 81 1 0 32 82 1 0 34 83 1 0 36 84 1 0 38 85 1 0 40 86 1 0 41 87 1 0 42 88 1 0 43 89 1 0 44 90 1 0 47 91 1 0 48 92 1 0 50 93 1 0 54 94 1 0 56 95 1 0 57 96 1 0 59 97 1 0 61 98 1 0 62 99 1 0 63100 1 0 64101 1 0 65102 1 0 65103 1 0 M END