Mol:FL2FADNM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -1.9317 -0.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9317 -0.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3754 -1.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8191 -0.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8191 -0.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3754 0.2022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2628 -1.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2935 -0.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2935 -0.1190 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2628 0.2022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8496 0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4166 -0.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9836 0.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9836 0.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4166 1.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8496 0.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2628 -1.6263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3754 -1.7246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4091 0.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9836 0.8568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3754 0.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3901 -1.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6382 1.7246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0175 2.6499 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 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 7 17 2 0 0 0 0 3 18 1 0 0 0 0 19 1 1 0 0 0 0 14 20 1 0 0 0 0 6 21 1 0 0 0 0 2 22 1 0 0 0 0 15 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 23 24 M SBL 1 1 25 M SMT 1 OCH3 M SVB 1 25 1.6382 1.7246 S SKP 8 ID FL2FADNM0001 KNApSAcK_ID C00008315 NAME 5,7,4'-Trihydroxy-3'-methoxy-6,8-di-C-methylflavanone CAS_RN 78417-14-8 FORMULA C18H18O6 EXACTMASS 330.110338308 AVERAGEMASS 330.33191999999997 SMILES O(C(c(c3)cc(OC)c(O)c3)2)c(c1C)c(C(=O)C2)c(c(c1O)C)O M END