Mol:FL1DEANI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 32 0 0 0 0 0 0 0 0999 V2000 2.6913 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6913 -0.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1560 -0.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6208 -0.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6208 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1560 0.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1237 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6593 -0.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1949 -0.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7317 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1949 -1.0815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7317 0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2482 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2354 0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2354 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2482 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2482 -1.1166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7188 0.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0852 0.5057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2152 0.5583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7188 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2011 -0.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6834 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1644 -0.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6455 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1254 -0.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6834 -1.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6053 -0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0852 -0.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6053 -1.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2482 1.1166 0.0000 O 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 12 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 23 27 1 0 0 0 0 26 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 13 31 1 0 0 0 0 S SKP 8 ID FL1DEANI0001 KNApSAcK_ID C00008022 NAME 3'-Geranyl-4,2',4',5',6'-pentahydroxydihydrochalcone CAS_RN 76015-50-4 FORMULA C25H30O6 EXACTMASS 426.204238692 AVERAGEMASS 426.5021 SMILES CC(C)=CCCC(=CCc(c(O)1)c(c(C(=O)CCc(c2)ccc(O)c2)c(O)c1O)O)C M END