Mol:FL2FECNS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -2.5089 0.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5089 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7944 -0.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0800 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0800 0.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7944 0.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3655 -0.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 0.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3655 0.7507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1075 0.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8219 0.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5364 0.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5364 1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8219 2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1075 1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3655 -1.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7944 -1.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1700 0.7199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8166 0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1659 1.9646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4659 -2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1450 -0.8540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7563 -0.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6856 1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1664 0.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8166 0.7878 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 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 7 17 2 0 0 0 0 3 18 1 0 0 0 0 1 19 1 0 0 0 0 19 20 1 0 0 0 0 14 21 1 0 0 0 0 18 22 1 0 0 0 0 2 23 1 0 0 0 0 23 24 1 0 0 0 0 21 25 1 0 0 0 0 13 26 1 0 0 0 0 26 27 1 0 0 0 0 S SKP 8 ID FL2FECNS0008 KNApSAcK_ID C00014137 NAME (2S)-5,6,7,3',4'-Pentamethoxyflavanone CAS_RN 104193-93-3 FORMULA C20H22O7 EXACTMASS 374.136553058 AVERAGEMASS 374.38448000000005 SMILES c(C(=O)1)(c3OC)c(cc(c3OC)OC)OC(c(c2)cc(c(c2)OC)OC)C1 M END