Mol:FLIBALNI0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -2.1808 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1808 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6245 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0682 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0682 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6245 0.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5119 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0444 -0.6317 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0444 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5119 0.3319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6005 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6005 -1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1953 -1.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7901 -1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7901 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1953 -0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5119 -1.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7369 0.3318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6245 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1806 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1806 1.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6245 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7367 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1953 0.0768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6245 -1.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6561 -2.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5222 -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 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 1 18 1 0 0 0 0 6 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 16 24 1 0 0 0 0 3 25 1 0 0 0 0 14 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 28 M SMT 1 OCH3 M SVB 1 28 2.0224 -1.8458 S SKP 8 ID FLIBALNI0008 KNApSAcK_ID C00009959 NAME 4'-O-Methylkievitone;5,7,2'-Trihydroxy-4'-methoxy-8-prenylisoflavanone CAS_RN - FORMULA C21H22O6 EXACTMASS 370.141638436 AVERAGEMASS 370.39578 SMILES c(c3O)(C1=O)c(c(CC=C(C)C)c(O)c3)OCC(c(c2)c(cc(OC)c2)O)1 M END