Mol:FL5FECNS0031
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -2.3202 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3202 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7639 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2076 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2076 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7639 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6513 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6513 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6513 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4611 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0281 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0281 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4611 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8763 -1.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7639 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5950 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5950 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6371 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3115 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7529 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6775 0.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1775 1.3480 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 2 18 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 20 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 1 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 26 27 M SBL 4 1 28 M SMT 4 OCH3 M SVB 4 28 -2.6775 0.482 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 24 25 M SBL 3 1 26 M SMT 3 OCH3 M SVB 3 26 1.3115 1.7424 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 22 23 M SBL 2 1 24 M SMT 2 OCH3 M SVB 2 24 0.1038 -0.9854 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 20 21 M SBL 1 1 22 M SMT 1 OCH3 M SVB 1 22 2.1618 1.1662 S SKP 8 ID FL5FECNS0031 KNApSAcK_ID C00004707 NAME Quercetagetin 3,7,3',4'-tetramethyl ether;5,6-Dihydroxy-3,3',4',7-tetramethoxyflavone CAS_RN 63296-15-1 FORMULA C19H18O8 EXACTMASS 374.100167552 AVERAGEMASS 374.34142 SMILES c(c3O)(OC)cc(O1)c(c3O)C(C(=C1c(c2)cc(OC)c(OC)c2)OC)=O M END