Mol:FLIA1CNI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -1.2122 0.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2122 -0.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6559 -0.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0996 -0.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0996 0.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6559 0.7978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4567 -0.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 -0.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 0.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4567 0.7978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5691 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5691 -1.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1639 -1.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7587 -1.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7587 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1639 -0.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7683 0.7977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4567 -1.1323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3443 1.1302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9195 0.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4934 1.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4933 1.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0674 0.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3529 -0.1438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0674 -0.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6247 -1.6736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4908 -2.1736 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 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 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 1 2 1 0 0 0 0 1 17 1 0 0 0 0 7 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 15 24 1 0 0 0 0 24 25 1 0 0 0 0 14 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 26 27 M SBL 2 1 28 M SMT 2 OCH3 M SVB 2 28 2.9957 -1.3799 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 26 M SMT 1 OCH3 M SVB 1 26 3.3529 -0.1438 S SKP 8 ID FLIA1CNI0003 KNApSAcK_ID C00009812 NAME 7-Prenyloxy-3',4'-dimethoxyisoflavone CAS_RN 82345-39-9 FORMULA C22H22O5 EXACTMASS 366.146723814 AVERAGEMASS 366.40708000000006 SMILES c(c3)c(cc(c3OC)OC)C(C2=O)=COc(c12)cc(cc1)OCC=C(C)C M END