Mol:FL5FGCNS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -1.9630 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5191 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5191 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1286 0.7182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 1.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1282 -1.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9943 -1.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3202 0.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8201 1.3089 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 3 19 1 0 0 0 0 16 20 1 0 0 0 0 15 21 1 0 0 0 0 6 22 1 0 0 0 0 22 23 1 0 0 0 0 8 24 1 0 0 0 0 24 25 1 0 0 0 0 1 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 26 27 M SBL 3 1 28 M SMT 3 OCH3 M SVB 3 28 -2.3202 0.4428 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 24 25 M SBL 2 1 26 M SMT 2 OCH3 M SVB 2 26 0.4611 -1.0246 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 24 M SMT 1 OCH3 M SVB 1 24 -1.1286 0.7182 S SKP 8 ID FL5FGCNS0005 KNApSAcK_ID C00004790 NAME 5,6,3',4'-Tetrahydroxy-3,7,8-trimethoxyflavone CAS_RN 102487-39-8 FORMULA C18H16O9 EXACTMASS 376.07943210999997 AVERAGEMASS 376.31424 SMILES O(C(c(c3)cc(O)c(O)c3)=1)c(c2OC)c(c(c(c2OC)O)O)C(C1OC)=O M END