Mol:FL2F2CNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 27 0 0 0 0 0 0 0 0999 V2000 -1.6821 -0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1612 -1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6403 -0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6403 -0.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1612 0.0962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6821 -0.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1195 -1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4014 -0.8060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4014 -0.2045 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1195 0.0962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9218 0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1195 -1.6307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4562 -0.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9905 0.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9905 0.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4562 1.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9218 0.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3966 1.1190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1359 1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5687 1.5408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0393 0.4142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5393 1.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3966 -0.6501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3736 -0.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 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 4 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 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 11 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 16 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 1 23 1 0 0 0 0 23 24 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 26 M SMT 2 OCH3 M SVB 2 26 -2.3966 -0.6501 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 24 M SMT 1 OCH3 M SVB 1 24 -2.0393 0.4142 S SKP 8 ID FL2F2CNS0002 KNApSAcK_ID C00008398 NAME 6,7-Dimethoxy-3',4'-methylenedioxyflavanone CAS_RN 94392-48-0 FORMULA C18H16O6 EXACTMASS 328.094688244 AVERAGEMASS 328.31604 SMILES c(c(OC)4)(OC)cc(c1c4)OC(c(c3)cc(c2c3)OCO2)CC1=O M END