Mol:FL1DBANI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 27 0 0 0 0 0 0 0 0999 V2000 -2.4367 -0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4367 -1.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7223 -1.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0078 -1.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0078 -0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7223 0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2933 -1.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4212 -1.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4212 -0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1356 0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8501 -0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5646 0.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5646 0.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8501 1.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1356 0.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2933 -2.4091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1512 0.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2933 0.0659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2790 1.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7223 -2.2443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4188 -2.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7223 0.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4986 1.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4986 2.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8269 2.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2790 2.6465 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 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 7 16 2 0 0 0 0 1 17 1 0 0 0 0 5 18 1 0 0 0 0 13 19 1 0 0 0 0 3 20 1 0 0 0 0 20 21 1 0 0 0 0 6 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 S SKP 8 ID FL1DBANI0001 KNApSAcK_ID C00014615 NAME alpha,beta-Dihydroxanthohumol;4,2',4'-Trihydroxy-6'-methoxy-3'-prenyldihydrochalcone CAS_RN 102448-00-0 FORMULA C21H24O5 EXACTMASS 356.162373878 AVERAGEMASS 356.41226 SMILES COc(c2)c(c(c(CC=C(C)C)c(O)2)O)C(=O)CCc(c1)ccc(O)c1 M END