HMDB0040293 RDKit 3D (-)-Epigallocatechin 3-(4-methyl-gallate) 54 57 0 0 0 0 0 0 0 0999 V2000 6.3257 -1.7712 -3.8175 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1475 -1.8137 -2.4007 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0771 -1.1297 -1.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1876 0.1823 -1.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4339 0.8066 -1.5959 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1441 0.8765 -0.8517 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9221 0.2636 -0.6762 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8080 1.0016 -0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9954 2.1888 0.2710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6107 0.3655 0.0864 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4739 1.0449 0.6584 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9041 0.4568 1.9758 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8074 1.4428 2.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8033 1.5906 3.9679 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0085 0.8763 4.8485 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6784 2.5434 4.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5027 3.2947 3.6945 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3670 4.2360 4.2229 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4715 3.1086 2.3128 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6138 2.1713 1.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6096 2.0122 0.3839 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 1.1855 -0.2414 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3134 -0.0966 -0.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9266 -0.7303 -1.7656 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5467 -1.9083 -2.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2074 -2.5993 -3.2733 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5271 -2.4734 -1.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1310 -3.6734 -1.6885 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9061 -1.8510 -0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8986 -2.4060 0.6659 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2897 -0.6576 0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7763 -1.0491 -1.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8374 -1.7056 -1.6363 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6645 -3.0400 -2.0374 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1249 -1.0171 -4.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4166 -1.4732 -4.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7193 -2.7528 -4.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2195 0.3293 -2.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2637 1.9192 -0.5333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 2.0956 0.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0096 0.2721 2.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4127 -0.5268 1.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3586 0.1740 4.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6679 2.6526 5.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2996 4.0179 4.4937 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1343 3.7187 1.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3206 1.6752 -1.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1768 -0.3310 -2.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4928 -2.2339 -3.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8603 -4.1445 -2.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1554 -1.9254 1.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6237 -0.1907 1.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8028 -1.4936 -0.9233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7832 -3.5078 -1.9196 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 27 29 1 0 29 30 1 0 29 31 2 0 7 32 1 0 32 33 2 0 33 34 1 0 33 3 1 0 22 11 1 0 31 23 1 0 20 13 1 0 1 35 1 0 1 36 1 0 1 37 1 0 5 38 1 0 6 39 1 0 11 40 1 1 12 41 1 0 12 42 1 0 15 43 1 0 16 44 1 0 18 45 1 0 19 46 1 0 22 47 1 6 24 48 1 0 26 49 1 0 28 50 1 0 30 51 1 0 31 52 1 0 32 53 1 0 34 54 1 0 M END