Mol:FL5FG9NS0005
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -2.6096 -0.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9769 -0.8072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7572 -0.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1701 0.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8028 0.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0225 -0.4267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9504 0.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3633 1.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9960 1.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2157 0.6690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4572 0.9790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4087 1.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1848 2.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6056 2.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2503 2.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4743 2.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0534 1.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1249 -0.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6351 -0.2523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5969 0.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0213 2.3238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6792 3.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0684 -1.5217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1568 -1.3780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9229 -2.0208 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 6 19 1 0 0 0 0 19 20 1 0 0 0 0 8 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 1 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 25 26 M SBL 4 1 27 M SMT 4 OCH3 M SVB 4 27 -1.9576 0.77 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 -2.3149 -0.3996 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 0.8237 -0.6973 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 -0.766 1.0455 S SKP 8 ID FL5FG9NS0005 KNApSAcK_ID C00004589 NAME 5-Hydroxy-3,6,7,8-tetramethoxyflavone;5-Hydroxy-3,6,7,8-tetramethoxy-2-phenyl-4H-1-benzopyran-4-one CAS_RN 15249-62-4 FORMULA C19H18O7 EXACTMASS 358.10525293 AVERAGEMASS 358.34202000000005 SMILES c(C(O2)=C(C(c(c3O)c2c(c(c3OC)OC)OC)=O)OC)(c1)cccc1 M END
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