Mol:FL2FCDNI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 -3.2135 -0.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2135 -1.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6572 -1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1009 -1.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1009 -0.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6572 -0.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5446 -1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9883 -1.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9883 -0.3666 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5446 -0.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4322 -0.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1348 -0.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7018 -0.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7018 0.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1348 0.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4322 0.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5446 -1.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6572 -1.9723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3278 0.4178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1520 0.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2847 -0.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0778 -0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2689 0.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3436 -0.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5707 0.2522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0706 1.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4182 1.5126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1327 1.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 19 14 1 0 0 0 0 19 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 1 25 1 0 0 0 0 25 26 1 0 0 0 0 15 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 29 M SMT 2 OCH3 M SVB 2 29 0.4182 1.5126 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 -3.5707 0.2522 S SKP 8 ID FL2FCDNI0002 KNApSAcK_ID C00008350 NAME Eriodictyol 7,3'-dimethyl ether 4'-prenyl ether CAS_RN 39953-50-9 FORMULA C22H24O6 EXACTMASS 384.1572885 AVERAGEMASS 384.42236 SMILES c(c(C(O3)CC(c(c23)c(cc(c2)OC)O)=O)1)c(OC)c(OCC=C(C)C)cc1 M END