HMDB0041668 RDKit 3D 4'-Methyl-(-)-epigallocatechin 3-(4-methyl-gallate) 57 60 0 0 0 0 0 0 0 0999 V2000 6.2700 -2.9279 1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0978 -1.5995 0.5663 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9066 -1.0684 0.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0560 -0.4563 1.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3945 -0.3642 2.4106 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8570 0.0779 0.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5059 0.0035 -0.6818 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2362 0.5551 -1.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9133 0.4876 -2.3940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 1.1897 -0.3502 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8931 1.7317 -0.7770 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0345 3.1955 -0.5872 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8066 3.5772 0.6328 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9182 4.9362 0.9399 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3173 5.8814 0.1125 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6201 5.3560 2.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2280 4.4504 2.9005 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9202 4.9128 4.0085 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1057 3.1234 2.5802 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4146 2.6871 1.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2963 1.3303 1.1597 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0943 1.0241 -0.2027 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0481 -0.4409 -0.4398 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7261 -1.0383 -1.4829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6944 -2.3998 -1.7191 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3890 -2.9925 -2.7836 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9456 -3.2101 -0.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9158 -4.5667 -1.1062 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8442 -5.4673 -0.5429 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2544 -2.6498 0.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 -3.4477 1.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3167 -1.2731 0.3825 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3334 -0.6006 -1.5982 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5313 -1.1341 -1.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4004 -1.7593 -2.0915 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3552 -3.1729 0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7262 -3.6645 0.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9625 -2.9941 2.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2599 -0.7428 2.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1840 0.5602 1.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9371 1.5364 -1.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0402 3.7221 -0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5409 3.7167 -1.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8081 5.6004 -0.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6807 6.4328 2.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0159 5.8685 4.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5695 2.3905 3.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9781 1.3967 -0.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3016 -0.3946 -2.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9178 -2.3645 -3.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 -6.2673 -0.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4747 -4.9680 0.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4809 -5.9691 -1.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4694 -4.4414 0.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7475 -0.8840 1.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0737 -0.6724 -2.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1323 -1.8121 -3.0684 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 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 25 27 2 0 27 28 1 0 28 29 1 0 27 30 1 0 30 31 1 0 30 32 2 0 7 33 1 0 33 34 2 0 34 35 1 0 34 3 1 0 22 11 1 0 32 23 1 0 20 13 1 0 1 36 1 0 1 37 1 0 1 38 1 0 5 39 1 0 6 40 1 0 11 41 1 6 12 42 1 0 12 43 1 0 15 44 1 0 16 45 1 0 18 46 1 0 19 47 1 0 22 48 1 6 24 49 1 0 26 50 1 0 29 51 1 0 29 52 1 0 29 53 1 0 31 54 1 0 32 55 1 0 33 56 1 0 35 57 1 0 M END