Mol:FL5FDDNM0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -1.9630 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9523 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5191 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5191 -1.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1282 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9943 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1101 2.6397 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 15 19 1 0 0 0 0 1 20 1 0 0 0 0 2 21 1 0 0 0 0 8 22 1 0 0 0 0 22 23 1 0 0 0 0 16 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 24 25 M SBL 2 1 26 M SMT 2 OCH3 M SVB 2 26 1.6687 1.7424 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 24 M SMT 1 OCH3 M SVB 1 24 0.4611 -0.9854 S SKP 8 ID FL5FDDNM0001 KNApSAcK_ID C00004898 NAME 6-C-Methylquercetin 3,3'-dimethyl ether CAS_RN - FORMULA C18H16O7 EXACTMASS 344.089602866 AVERAGEMASS 344.31543999999997 SMILES c(c1O)(C)c(O)cc(O2)c1C(C(=C2c(c3)cc(OC)c(O)c3)OC)=O M END