Mol:FL5F2ANP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 31 0 0 0 0 0 0 0 0999 V2000 -2.5908 -0.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9703 -0.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5160 -0.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6823 0.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3028 0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7569 -0.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2281 0.6485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3943 1.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0148 1.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4690 0.9810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7443 0.5189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1810 2.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7181 2.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8875 3.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5199 3.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9829 2.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8134 2.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3775 0.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8317 -0.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6654 -1.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0449 -1.1684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2241 -1.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6655 -1.6290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6893 3.9525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6872 1.9761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0199 2.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2435 -1.5469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6601 -0.9635 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 6 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 1 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 15 24 1 0 0 0 0 8 25 1 0 0 0 0 25 26 1 0 0 0 0 2 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 27 28 M SBL 2 1 30 M SMT 2 OCH3 M SVB 2 30 -2.3746 -0.551 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 28 M SMT 1 OCH3 M SVB 1 28 0.764 -0.8486 S SKP 8 ID FL5F2ANP0001 KNApSAcK_ID C00005079 NAME 4'-Hydroxy-3,6-dimethoxy-6'',6''-dimethylpyrano[2,3:7,8]flavone CAS_RN 157072-30-5 FORMULA C22H20O6 EXACTMASS 380.125988372 AVERAGEMASS 380.3906 SMILES c(c1)(ccc(C(=C4OC)Oc(c(C4=O)3)c(C=2)c(c(OC)c3)OC(C2)(C)C)c1)O M END