Mol:FL5FDDNM0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -2.0624 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0624 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9498 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9498 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3935 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1628 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1628 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3935 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3935 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7189 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2859 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8528 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8528 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2859 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7189 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8528 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5061 0.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0288 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8949 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5693 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0107 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4197 0.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9197 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 3 18 1 0 0 0 0 15 19 1 0 0 0 0 6 20 1 0 0 0 0 8 21 1 0 0 0 0 21 22 1 0 0 0 0 16 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 3 SUP M SLB 1 3 3 M SAL 3 2 25 26 M SBL 3 1 27 M SMT 3 OCH3 M SVB 3 27 -2.4197 0.482 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 25 M SMT 2 OCH3 M SVB 2 25 1.5693 1.7424 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 23 M SMT 1 OCH3 M SVB 1 23 0.3617 -0.9854 S SKP 8 ID FL5FDDNM0003 KNApSAcK_ID C00004900 NAME 5,4'-Dihydroxy-3,7,3'-trimethoxy-8-methylflavone CAS_RN - FORMULA C19H18O7 EXACTMASS 358.10525293 AVERAGEMASS 358.34202000000005 SMILES c(c1C)(OC)cc(c(C2=O)c(OC(c(c3)cc(OC)c(O)c3)=C2OC)1)O M END
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