Mol:FL5FEANS0014
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -1.9630 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -1.3476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5191 -0.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5191 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1282 -1.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9943 -1.5255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3202 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8201 1.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8431 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1286 -1.4198 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 15 19 1 0 0 0 0 8 20 1 0 0 0 0 20 21 1 0 0 0 0 1 22 1 0 0 0 0 22 23 1 0 0 0 0 3 24 1 0 0 0 0 24 25 1 0 0 0 0 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 -1.8431 -1.0073 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 -2.3202 0.7355 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 0.4611 -0.7319 S SKP 8 ID FL5FEANS0014 KNApSAcK_ID C00004602 NAME 6-Hydroxykaempferol 3,5,7-trimethyl ether CAS_RN 154662-03-0 FORMULA C18H16O7 EXACTMASS 344.089602866 AVERAGEMASS 344.31543999999997 SMILES c(c3OC)c(O1)c(c(c3O)OC)C(C(=C1c(c2)ccc(O)c2)OC)=O M END
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