Mol:FLIA1LNI0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -2.1832 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1832 -0.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6269 -0.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0706 -0.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0706 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6269 0.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5143 -0.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -0.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 0.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5143 0.4862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5981 -0.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5981 -1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1929 -1.8286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7877 -1.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7877 -0.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1929 -0.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5143 -1.4406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6269 1.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 1.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 2.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7391 2.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6269 2.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7755 -2.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 -2.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6537 -1.9852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5198 -2.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5404 0.7838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0403 1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 0.1291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2045 -0.2834 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 6 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 13 23 1 0 0 0 0 23 24 1 0 0 0 0 14 25 1 0 0 0 0 25 26 1 0 0 0 0 1 27 1 0 0 0 0 27 28 1 0 0 0 0 16 29 1 0 0 0 0 29 30 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 29 30 M SBL 4 1 31 M SMT 4 OCH3 M SVB 4 31 1.49 0.1291 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 27 28 M SBL 3 1 29 M SMT 3 OCH3 M SVB 3 29 -2.5404 0.7838 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 25 26 M SBL 2 1 27 M SMT 2 OCH3 M SVB 2 27 2.0246 -1.6914 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 23 24 M SBL 1 1 25 M SMT 1 OCH3 M SVB 1 25 0.7755 -2.0001 S SKP 8 ID FLIA1LNI0005 KNApSAcK_ID C00009884 NAME Prebarbigerone;7,2',4',5'-Tetramethoxy-8-prenylisoflavone CAS_RN 130286-70-3 FORMULA C24H26O6 EXACTMASS 410.172938564 AVERAGEMASS 410.45964 SMILES O(C=2)c(c(CC=C(C)C)1)c(C(=O)C2c(c3)c(OC)cc(OC)c3OC)ccc1OC M END