Mol:FL6FDANM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 24 0 0 0 0 0 0 0 0999 V2000 -2.0624 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0624 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9498 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9498 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3935 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1628 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1628 0.1167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3935 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7189 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2859 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8528 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8528 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2859 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7189 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 1.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4197 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4197 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9197 1.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9425 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2281 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 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 9 11 1 6 0 0 0 11 12 2 0 0 0 0 12 13 1 0 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 11 1 0 0 0 0 6 17 1 0 0 0 0 14 18 1 0 0 0 0 1 19 1 0 0 0 0 19 20 1 0 0 0 0 3 21 1 0 0 0 0 21 22 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 23 M SMT 2 OCH3 M SVB 2 23 -1.9425 -1.0073 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 21 M SMT 1 OCH3 M SVB 1 21 -2.4197 0.7355 S SKP 8 ID FL6FDANM0001 KNApSAcK_ID C00008781 NAME 4'-Hydroxy-5,7-dimethoxy-8-methylflavan CAS_RN - FORMULA C18H20O4 EXACTMASS 300.136159128 AVERAGEMASS 300.349 SMILES O([C@@H]1c(c3)ccc(O)c3)c(c2C)c(c(OC)cc2OC)CC1 M END