Mol:FL3FG8NS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -1.7950 -1.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7390 -1.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2652 -0.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8473 -1.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9033 -1.6601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3771 -2.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3735 -0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9557 -0.9232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0117 -1.5632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4855 -1.9316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3299 -0.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5937 -1.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1300 -1.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7234 -1.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7804 -2.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2441 -2.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6507 -2.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4331 -2.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2092 -0.1090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1146 -2.8621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0725 -1.3904 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 -1.4931 -2.4046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0704 -3.3109 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 3 19 1 0 0 0 0 17 20 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 1 23 1 0 0 0 0 23 24 1 0 0 0 0 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 -1.9576 0.77 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 -2.3149 -0.3996 S SKP 8 ID FL3FG8NS0002 KNApSAcK_ID C00003874 NAME 5,8,2'-Trihydroxy-6,7-dimethoxyflavone CAS_RN 77056-21-4 FORMULA C17H14O7 EXACTMASS 330.073952802 AVERAGEMASS 330.28886 SMILES COc(c(OC)1)c(O)c(O2)c(C(=O)C=C2c(c3)c(O)ccc3)c(O)1 M END