Mol:FLIEDANI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 31 0 0 0 0 0 0 0 0999 V2000 -1.4619 1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4619 0.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9056 0.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3493 0.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3493 1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9056 1.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 0.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7633 0.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7633 1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 1.3632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3194 0.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3194 -0.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9142 -0.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5090 -0.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5090 0.0786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9142 0.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2128 -0.6079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1032 -0.9512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3194 1.3631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9163 -0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9163 -0.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 -0.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 -1.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1032 -0.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3420 -0.0820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6276 -0.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8191 1.6608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3191 2.5268 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 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 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 7 17 1 0 0 0 0 1 2 1 0 0 0 0 12 17 1 0 0 0 0 14 18 1 0 0 0 0 9 19 2 0 0 0 0 2 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 3 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 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 27 28 M SBL 2 1 30 M SMT 2 OCH3 M SVB 2 30 -1.8191 1.6608 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 28 M SMT 1 OCH3 M SVB 1 28 -1.342 -0.082 S SKP 8 ID FLIEDANI0001 KNApSAcK_ID C00009780 NAME 1-O-Methylglycyrol;5-O-Methylglycyrol;9-Hydroxy-1,3-dimethoxy-2-prenylcoumestan CAS_RN 23013-85-6 FORMULA C22H20O6 EXACTMASS 380.125988372 AVERAGEMASS 380.3906 SMILES C(C)(C)=CCc(c(OC)1)c(OC)cc(O4)c1c(c2C(=O)4)oc(c3)c2ccc3O M END