Mol:FL5FFCNI0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.0741 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0741 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5178 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0385 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0385 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5178 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5948 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1511 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1511 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5948 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5948 -1.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7072 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2742 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8412 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8412 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2742 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7072 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5178 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4638 0.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8486 0.7997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4638 1.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6302 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1851 0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7400 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2949 0.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8486 0.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2949 -0.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0171 -0.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8831 -1.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2397 1.0455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1969 1.9451 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 7 11 2 0 0 0 0 9 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 17 2 0 0 0 0 17 12 1 0 0 0 0 3 18 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 15 1 0 0 0 0 1 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 8 28 1 0 0 0 0 28 29 1 0 0 0 0 6 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 30 31 M SBL 2 1 33 M SMT 2 OCH3 M SVB 2 33 -0.2397 1.0455 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 28 29 M SBL 1 1 31 M SMT 1 OCH3 M SVB 1 31 1.3614 -0.6761 S SKP 8 ID FL5FFCNI0006 KNApSAcK_ID C00005057 NAME 5-Hydroxy-3,8-dimethoxy-3',4'-methylenedioxy-7-prenyloxyflavone CAS_RN 132550-33-5 FORMULA C23H22O8 EXACTMASS 426.13146768 AVERAGEMASS 426.41598000000005 SMILES O=C(c34)C(=C(Oc3c(OC)c(cc(O)4)OCC=C(C)C)c(c2)ccc(c21)OCO1)OC M END