Mol:FL3FGGNS0011
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -1.2364 -1.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 -1.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3321 -1.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2205 -2.3404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1249 -2.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7126 -2.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6011 -3.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9975 -3.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5054 -3.1926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1832 -2.5820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 -4.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3874 -4.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2738 -5.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6586 -5.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1571 -5.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2707 -4.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 -6.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7445 -1.1018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5421 -5.3304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9355 -1.4881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0398 -5.9462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8059 -6.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6815 -2.6044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0146 -3.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4036 -0.7218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -1.1344 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 15 18 1 0 0 0 0 1 19 1 0 0 0 0 16 20 1 0 0 0 0 3 21 1 0 0 0 0 14 22 1 0 0 0 0 22 23 1 0 0 0 0 6 24 1 0 0 0 0 24 25 1 0 0 0 0 2 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 -2.7769 -0.7269 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 -1.2281 0.7182 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 2.0624 -0.0612 S SKP 8 ID FL3FGGNS0011 KNApSAcK_ID C00004083 NAME 5,7,3',4'-Tetrahydroxy-6,8,5'-trimethoxyflavone CAS_RN 147025-58-9 FORMULA C18H16O9 EXACTMASS 376.07943210999997 AVERAGEMASS 376.31424 SMILES O(C(c(c3)cc(OC)c(O)c(O)3)=2)c(c1OC)c(C(=O)C2)c(c(c1O)OC)O M END