Mol:FL2FCKNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -2.4197 -0.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4197 -0.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8633 -1.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -0.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -0.1324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8633 0.1888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7507 -1.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1944 -0.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1944 -0.1324 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7507 0.1888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3617 0.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 -0.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 0.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 0.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 1.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3617 0.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7507 -1.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8633 -1.7381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 1.7381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6246 2.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7611 -0.0176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4756 -0.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7769 0.4863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2769 1.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3616 1.3433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2277 1.8433 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 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 15 19 1 0 0 0 0 19 20 1 0 0 0 0 13 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 14 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 4 SUP M SLB 1 4 4 M SAL 4 2 25 26 M SBL 4 1 27 M SMT 4 OCH3 M SVB 4 27 2.0624 1.1706 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 23 24 M SBL 3 1 25 M SMT 3 OCH3 M SVB 3 25 -2.7769 0.4863 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 21 22 M SBL 2 1 23 M SMT 2 OCH3 M SVB 2 23 1.7611 -0.0176 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 19 20 M SBL 1 1 21 M SMT 1 OCH3 M SVB 1 21 1.197 1.7381 S SKP 8 ID FL2FCKNS0001 KNApSAcK_ID C00008360 NAME 5-Hydroxy-7,3',4',5'-tetramethoxyflavanone CAS_RN 92585-23-4 FORMULA C19H20O7 EXACTMASS 360.120902994 AVERAGEMASS 360.3579 SMILES O(C(c(c3)cc(c(c(OC)3)OC)OC)2)c(c1C(=O)C2)cc(OC)cc1O M END