Mol:FLIB2CNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 27 0 0 0 0 0 0 0 0999 V2000 -1.3007 -0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7548 -0.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3753 -0.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5416 -0.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0874 -1.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4669 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1621 -1.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3283 -1.7356 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8741 -2.1898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2536 -2.0235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9486 -1.9018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4342 -1.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0976 -1.5939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2754 -2.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7897 -2.7429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1263 -2.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6161 -0.6611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6736 -1.2198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2074 -1.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9613 -2.2932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6105 -0.8013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3554 -1.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1171 0.1728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9390 0.1008 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 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 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 7 17 2 0 0 0 0 13 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 14 1 0 0 0 0 1 21 1 0 0 0 0 21 22 1 0 0 0 0 2 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 -2.5979 0.5083 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 -2.2406 1.678 S SKP 8 ID FLIB2CNS0001 KNApSAcK_ID C00009544 NAME 6,7-Dimethoxy-3',4'-methylenedioxyisoflavanone CAS_RN 24195-20-8 FORMULA C18H16O6 EXACTMASS 328.094688244 AVERAGEMASS 328.31604 SMILES c(c(OC)4)(OC)cc(c1c4)OCC(c(c3)cc(c2c3)OCO2)C1=O M END