Mol:FLIAEANS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 23 25 0 0 0 0 0 0 0 0999 V2000 -1.9253 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9253 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8127 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8127 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2564 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2999 0.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2999 0.6874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2564 1.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4508 -1.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0456 -0.9628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0456 -0.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4508 0.0674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2564 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 -0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6398 -1.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6131 0.2592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9809 -0.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2825 1.3062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7824 2.1723 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 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 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 14 19 1 0 0 0 0 2 20 1 0 0 0 0 20 21 1 0 0 0 0 1 22 1 0 0 0 0 22 23 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 22 23 M SBL 2 1 24 M SMT 2 OCH3 M SVB 2 24 -2.2825 1.3062 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 22 M SMT 1 OCH3 M SVB 1 22 -2.6398 0.1365 S SKP 8 ID FLIAEANS0006 KNApSAcK_ID C00009463 NAME 7-O-Methyltectorigenin;5,4'-Dihydroxy-6,7-dimethoxyisoflavone CAS_RN 1096-58-8 FORMULA C17H14O6 EXACTMASS 314.07903818 AVERAGEMASS 314.28945999999996 SMILES COc(c1)c(OC)c(O)c(C(=O)2)c(OC=C(c(c3)ccc(O)c3)2)1 M END