Mol:FLIA2CNS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -2.9766 -0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4504 -0.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5064 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0886 0.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6148 0.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5588 -0.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1446 1.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7267 1.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2530 1.3395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1969 0.6997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7827 2.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2201 2.7416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2800 3.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9024 3.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4650 3.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4051 2.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6186 1.8048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2785 -1.1308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7010 -2.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4760 4.5352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0496 5.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9001 3.1823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9720 4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2313 -0.8010 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 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 1 18 1 0 0 0 0 18 19 1 0 0 0 0 14 20 1 0 0 0 0 20 21 1 0 0 0 0 13 22 1 0 0 0 0 22 23 1 0 0 0 0 2 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 24 25 M SBL 4 1 26 M SMT 4 OCH3 M SVB 4 26 -2.8184 0.4285 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 22 23 M SBL 3 1 24 M SMT 3 OCH3 M SVB 3 24 0.8548 -1.1857 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 20 21 M SBL 2 1 22 M SMT 2 OCH3 M SVB 2 22 2.1039 -0.877 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 18 19 M SBL 1 1 20 M SMT 1 OCH3 M SVB 1 20 -2.4612 1.5982 S SKP 8 ID FLIA2CNS0006 KNApSAcK_ID C00009420 NAME 6,7,3',4'-Tetramethoxyisoflavone CAS_RN 24126-93-0 FORMULA C19H18O6 EXACTMASS 342.110338308 AVERAGEMASS 342.34262 SMILES c(c(OC)3)(OC)cc(c1c3)OC=C(c(c2)cc(OC)c(OC)c2)C1=O M END
