Mol:FL1CAANP0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -0.0490 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6655 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3799 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3799 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6655 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0944 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8089 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8089 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0944 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0911 0.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6214 -0.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6655 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7635 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7635 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4779 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1924 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1924 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9069 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6655 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3799 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7635 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4779 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4779 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1924 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9069 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9069 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1924 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6214 2.4750 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 4 7 1 0 0 0 0 7 8 2 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 0 0 0 0 9 12 1 0 0 0 0 3 13 1 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 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 28 29 2 0 0 0 0 29 24 1 0 0 0 0 27 30 1 0 0 0 0 S SKP 8 ID FL1CAANP0005 KNApSAcK_ID C00014474 NAME Xanthohumol E;3'-Prenyl-6'',6''-dimethylpyrano[2'',3'':6',5']-4,2',4'-trihydroxychalcone CAS_RN 274675-26-2 FORMULA C25H26O5 EXACTMASS 406.178023942 AVERAGEMASS 406.47094 SMILES C(=C1)C(Oc(c2C(C=Cc(c3)ccc(O)c3)=O)c1c(O)c(CC=C(C)C)c2O)(C)C M END