Mol:FL5FGGNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 -1.3011 -1.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7552 -1.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3757 -1.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5420 -2.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0878 -2.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4673 -2.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1625 -2.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3287 -2.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8745 -3.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 -3.2587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5166 -1.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0407 -4.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6731 -4.2147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8426 -4.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3796 -5.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7472 -5.1405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5777 -4.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6808 -1.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8298 -1.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5490 -5.9422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4748 -5.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2844 -5.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1175 -1.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9394 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2946 -3.2296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2605 -3.4885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2588 -3.0738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9314 -4.0187 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 1 18 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 14 21 1 0 0 0 0 16 22 1 0 0 0 0 2 23 1 0 0 0 0 23 24 1 0 0 0 0 8 25 1 0 0 0 0 25 26 1 0 0 0 0 6 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 27 28 M SBL 3 1 29 M SMT 3 OCH3 M SVB 3 29 -1.0494 0.7182 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 25 26 M SBL 2 1 27 M SMT 2 OCH3 M SVB 2 27 0.5403 -1.0246 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 23 24 M SBL 1 1 25 M SMT 1 OCH3 M SVB 1 25 -2.5983 -0.7269 S SKP 8 ID FL5FGGNS0001 KNApSAcK_ID C00004858 NAME 5,7,3',4',5'-Pentahydroxy-3,6,8-trimethoxyflavone CAS_RN 99816-52-1 FORMULA C18H16O10 EXACTMASS 392.074346732 AVERAGEMASS 392.31363999999996 SMILES O(C(c(c3)cc(O)c(O)c(O)3)=1)c(c2OC)c(c(c(c2O)OC)O)C(C1OC)=O M END
