Mol:FL5FF9NS0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -1.7790 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2227 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6664 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6664 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2227 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1101 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4462 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4462 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1101 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1101 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0023 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5693 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1362 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1362 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5693 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0023 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0023 -0.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9447 1.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 1.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6591 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9447 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1362 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6361 1.6016 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 8 18 1 0 0 0 0 6 19 1 0 0 0 0 19 20 1 0 0 0 0 3 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 3 SUP M SLB 1 3 3 M SAL 3 2 23 24 M SBL 3 1 25 M SMT 3 OCH3 M SVB 3 25 -2.1362 0.7355 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 23 M SMT 2 OCH3 M SVB 2 23 -1.6591 -1.0073 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 21 M SMT 1 OCH3 M SVB 1 21 -0.9447 1.011 S SKP 8 ID FL5FF9NS0010 KNApSAcK_ID C00004560 NAME 3-Hydroxy-5,7,8-trimethoxyflavone CAS_RN 103393-10-8 FORMULA C18H16O6 EXACTMASS 328.094688244 AVERAGEMASS 328.31604 SMILES c(C(O2)=C(C(c(c(OC)3)c2c(c(OC)c3)OC)=O)O)(c1)cccc1 M END