Mol:FL4DEANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 1.2194 1.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 1.1186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 0.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2194 0.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7198 0.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7199 1.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1836 -0.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7199 -0.6150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2203 -0.3261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2204 0.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7204 -0.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7204 -1.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2348 -1.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7491 -1.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7492 -0.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2348 -0.3179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8098 0.0142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2194 1.9850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2624 -1.5052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7199 -1.3178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0571 -1.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6416 -1.5892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2133 -2.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1305 -0.9553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2188 0.2519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -0.4241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4689 1.7992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1239 2.7378 0.0000 C 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 9 11 1 0 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 9 17 1 1 0 0 0 1 18 1 0 0 0 0 14 19 1 0 0 0 0 8 20 1 1 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 8 24 1 6 0 0 0 3 25 1 0 0 0 0 7 26 2 0 0 0 0 2 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 27 28 M SBL 1 1 29 M SMT 1 OCH3 M SVB 1 29 -2.3792 -0.0446 S SKP 8 ID FL4DEANS0001 KNApSAcK_ID C00000979 NAME 6-Methoxyaromadendrin 3-O-acetate;3,5,7,4'-Tetrahydroxy-6-methoxyflavanone 3-acetate CAS_RN 130926-71-5 FORMULA C18H16O8 EXACTMASS 360.08451748799996 AVERAGEMASS 360.31484 SMILES c(c3OC)(O)cc(O1)c(c3O)C([C@](OC(C)=O)([C@]1(c(c2)ccc(O)c2)[H])[H])=O M END