Mol:FLICQUNS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -1.5211 -0.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9753 -0.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 -0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7621 -1.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3078 -1.4829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6874 -1.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3826 -1.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5488 -1.8154 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0946 -2.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4741 -2.1033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1691 -1.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6547 -1.4959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3181 -1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4959 -2.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0102 -2.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3468 -2.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4771 -0.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1878 -3.4855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1442 -1.2573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9412 -1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 -0.8810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -1.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4618 -2.5959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4277 -2.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3376 0.0930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1595 0.0210 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 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 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 12 17 2 0 0 0 0 15 18 2 0 0 0 0 13 19 1 0 0 0 0 19 20 1 0 0 0 0 1 21 1 0 0 0 0 21 22 1 0 0 0 0 14 23 1 0 0 0 0 23 24 1 0 0 0 0 2 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 25 26 M SBL 4 1 27 M SMT 4 OCH3 M SVB 4 27 -2.8184 0.4285 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 23 24 M SBL 3 1 25 M SMT 3 OCH3 M SVB 3 25 2.1039 -0.877 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 23 M SMT 2 OCH3 M SVB 2 23 -2.4612 1.5982 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 21 M SMT 1 OCH3 M SVB 1 21 0.8548 -1.1857 S SKP 8 ID FLICQUNS0006 KNApSAcK_ID C00009745 NAME Abruquinone A;6,7,3',4'-Tetramethoxy-2',5'-isoflavanquinone CAS_RN 71593-10-7 FORMULA C19H20O7 EXACTMASS 360.120902994 AVERAGEMASS 360.3579 SMILES c(c3OC)(=O)cc(c(c3OC)=O)C(C2)Cc(c(O2)1)cc(OC)c(OC)c1 M END