Mol:FL63ACNS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -2.0952 0.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0952 0.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5566 -0.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0181 0.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0181 0.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5566 1.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4796 -0.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 0.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 0.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4796 1.1834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6334 1.1832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5699 -0.0444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5385 1.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0832 0.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6279 1.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6279 1.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0832 2.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5385 1.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2261 1.9726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5566 -0.6818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5699 -0.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1588 -1.1593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0541 -1.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0541 -1.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5806 -2.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1071 -1.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1071 -1.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5806 -0.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6334 -0.8976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6334 -2.1133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5806 -2.7211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0832 2.7211 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 19 16 1 0 0 0 0 3 20 1 0 0 0 0 12 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 25 31 1 0 0 0 0 17 32 1 0 0 0 0 S SKP 8 ID FL63ACNS0006 KNApSAcK_ID C00008866 NAME (-)-Epicatechin 3-O-gallate CAS_RN 1257-08-5 FORMULA C22H18O10 EXACTMASS 442.089996796 AVERAGEMASS 442.37232000000006 SMILES Oc(c(O)1)cc(C(=O)OC(C3)C(Oc(c4)c3c(O)cc(O)4)c(c2)ccc(c2O)O)cc(O)1 M END