Mol:FLIAACNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 30 0 0 0 0 0 0 0 0999 V2000 -1.4064 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4064 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8501 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2938 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2938 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8501 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2625 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8188 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8188 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2625 1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3749 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3749 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9697 -0.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9697 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2625 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8501 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9625 1.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9627 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9627 -0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5188 -0.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5188 -1.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0749 -0.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 -1.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7955 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0749 -0.9018 0.0000 O 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 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 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 1 19 1 0 0 0 0 20 2 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 13 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 14 1 0 0 0 0 S SKP 8 ID FLIAACNI0001 KNApSAcK_ID C00009505 NAME Derrubone;5,7-Dihydroxy-3',4'-methylenedioxy-6-prenylisoflavone CAS_RN 22044-58-2 FORMULA C21H18O6 EXACTMASS 366.110338308 AVERAGEMASS 366.36402 SMILES O(C1)c(c2)c(ccc(C(=C4)C(=O)c(c3O)c(O4)cc(c(CC=C(C)C)3)O)2)O1 M END