Mol:FL1D1ANI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 30 0 0 0 0 0 0 0 0999 V2000 -0.6173 0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6173 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1526 -0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3122 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3122 0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1526 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1849 -0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6493 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1137 -0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5769 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1137 -0.8024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5769 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0604 0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5440 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5440 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0604 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0604 -0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0274 0.8374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7766 0.7848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7766 -0.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7054 -0.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1698 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7054 -0.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6342 -0.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0986 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5630 -0.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5630 -0.8244 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 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 7 1 0 0 0 0 10 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 10 1 0 0 0 0 16 17 1 0 0 0 0 14 18 1 0 0 0 0 5 19 1 0 0 0 0 4 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 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 S SKP 8 ID FL1D1ANI0002 KNApSAcK_ID C00008014 NAME 3-Geranyl-4,2',4'-trihydroxydihydrochalcone CAS_RN - FORMULA C25H30O4 EXACTMASS 394.21440944799997 AVERAGEMASS 394.50329999999997 SMILES c(c1CCC(=O)c(c2O)ccc(c2)O)c(CC=C(C)CCC=C(C)C)c(O)cc1 M END