Mol:FL63AANS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 20 22 0 0 0 0 0 0 0 0999 V2000 -1.8645 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8645 -0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 -0.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 -0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2489 -0.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2896 -0.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2896 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2489 0.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4027 0.4777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 -1.3873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8006 -0.7499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7691 0.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3138 0.1293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8586 0.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8586 1.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3138 1.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7691 1.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4027 1.3870 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 3 12 1 0 0 0 0 8 13 1 1 0 0 0 9 14 1 1 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 17 20 1 0 0 0 0 S SKP 8 ID FL63AANS0003 KNApSAcK_ID C00008806 NAME ent-Epiafzelechin CAS_RN 36801-69-1 FORMULA C15H14O5 EXACTMASS 274.084123558 AVERAGEMASS 274.26866 SMILES Oc(c3)ccc(c3)C(O1)C(O)Cc(c(O)2)c(cc(O)c2)1 M END