Mol:FL63AANS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -2.0952 1.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0952 0.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5566 0.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0181 0.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0181 1.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5566 1.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4796 0.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 0.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 1.1866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4796 1.4975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6334 1.4974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5699 0.2698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5385 1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0832 1.1490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6279 1.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6279 2.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0832 2.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5385 2.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2261 2.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5566 -0.3676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5699 -0.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1588 -0.8451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0541 -0.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0541 -1.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5806 -1.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1071 -1.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1071 -0.8873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5806 -0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6334 -0.5834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6334 -1.7991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5806 -2.4070 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 S SKP 8 ID FL63AANS0004 KNApSAcK_ID C00008864 NAME Epiafzelechin 3-O-gallate CAS_RN 108907-43-3 FORMULA C22H18O9 EXACTMASS 426.095082174 AVERAGEMASS 426.37292 SMILES c(c4)(ccc(c4)C(O2)C(Cc(c(O)3)c2cc(c3)O)OC(=O)c(c1)cc(O)c(O)c(O)1)O M END