Mol:FLIBALNI0012
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 -2.8958 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3395 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7832 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7832 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3395 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2269 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6706 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6706 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2269 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1145 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1145 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4803 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0751 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0751 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4803 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2269 -1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6646 -2.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4519 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3395 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8956 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8956 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3395 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4517 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4803 -0.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3395 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6693 -0.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2635 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8577 -0.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8577 -0.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4519 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 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 1 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 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 16 1 0 0 0 0 16 11 2 0 0 0 0 1 2 1 0 0 0 0 7 17 2 0 0 0 0 18 14 1 0 0 0 0 1 19 1 0 0 0 0 6 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 16 25 1 0 0 0 0 3 26 1 0 0 0 0 15 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 S SKP 8 ID FLIBALNI0012 KNApSAcK_ID C00009970 NAME 3'-Dimethylallylkievitone;5,7,2',4'-Tetrahydroxy-8,3'-diprenylisoflavanone CAS_RN 104380-55-4 FORMULA C25H28O6 EXACTMASS 424.188588628 AVERAGEMASS 424.48622 SMILES c(c1CC=C(C)C)(c(C(C3)C(c(c2O3)c(O)cc(O)c(CC=C(C)C)2)=O)ccc1O)O M END