Mol:FL63AGNS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -0.4966 -0.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4966 -0.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0419 -1.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5804 -0.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5804 -0.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0419 0.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1189 -1.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6575 -0.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6575 -0.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1189 0.1344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0349 0.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1684 -1.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 0.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6817 -0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2264 0.1004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2264 0.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6817 1.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 0.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0419 -1.7307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7706 1.0436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6817 1.6722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7706 -0.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5731 -0.1765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1114 0.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5731 -0.7980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1114 0.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6647 1.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2181 0.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2181 0.1343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6647 -0.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7706 -0.1847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7706 1.0922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6647 1.7307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 1 11 1 0 0 0 0 8 12 1 6 0 0 0 9 13 1 6 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 3 19 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 15 22 1 0 0 0 0 11 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 24 1 0 0 0 0 29 31 1 0 0 0 0 28 32 1 0 0 0 0 27 33 1 0 0 0 0 S SKP 8 ID FL63AGNS0007 KNApSAcK_ID C00008885 NAME Epigallocatechin 7-O-gallate CAS_RN 96658-18-3 FORMULA C22H18O11 EXACTMASS 458.084911418 AVERAGEMASS 458.37172000000004 SMILES Oc(c(O)4)cc(cc(O)4)C(=O)Oc(c1)cc(O2)c(CC(O)C2c(c3)cc(O)c(c3O)O)c(O)1 M END