Mol:FLIAABNI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -2.1831 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1831 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6268 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0705 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6268 0.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5142 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0421 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0421 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5142 0.3319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5982 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5982 -1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 -1.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7878 -1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7878 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 -0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5142 -1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7392 0.3318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6268 -1.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6268 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1829 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1829 1.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7390 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6268 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6538 -2.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5199 -2.6395 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 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 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 1 18 1 0 0 0 0 3 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 14 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 27 M SMT 1 OCH3 M SVB 1 27 2.0247 -1.8458 S SKP 8 ID FLIAABNI0002 KNApSAcK_ID C00009897 NAME Gancanin M;5,7,-Dihydroxy-4'-methoxy-8-prenylisoflavone CAS_RN 129145-51-3 FORMULA C21H20O5 EXACTMASS 352.13107375 AVERAGEMASS 352.3805 SMILES c(c3)(O)c(C1=O)c(c(CC=C(C)C)c3O)OC=C1c(c2)ccc(OC)c2 M END