Mol:FL2FCANI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -2.9878 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4669 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9460 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9460 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4669 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9878 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9043 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9043 0.1385 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4252 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3839 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4252 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1505 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6848 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6848 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1505 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3839 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4669 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2183 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7518 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2840 1.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8151 1.0567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3450 1.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8151 0.4448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3450 0.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8449 1.6234 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 3 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 4 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 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 11 1 0 0 0 0 2 18 1 0 0 0 0 15 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 6 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 27 M SMT 1 OCH3 M SVB 1 27 -3.345 0.7573 S SKP 8 ID FL2FCANI0002 KNApSAcK_ID C00008493 NAME 5-Hydroxy-7-methoxy-4'-prenyloxyflavanone CAS_RN 14117-55-6 FORMULA C21H22O5 EXACTMASS 354.146723814 AVERAGEMASS 354.39638 SMILES c(c1C(C2)Oc(c3)c(c(cc3OC)O)C(=O)2)cc(OCC=C(C)C)cc1 M END