Mol:FL5FFCNS0024
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 -2.4197 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4197 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8634 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8634 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7507 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1944 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1944 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7507 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7507 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3617 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9286 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3617 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8634 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6534 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6716 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5377 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7769 0.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2768 1.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5853 0.7574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1487 1.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4956 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4956 0.8390 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 3 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 8 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 6 25 1 0 0 0 0 25 26 1 0 0 0 0 15 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 5 SUP M SLB 1 5 5 M SAL 5 2 27 28 M SBL 5 1 29 M SMT 5 OCH3 M SVB 5 29 2.0624 1.1662 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 -1.5853 0.7574 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 0.482 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 0.0044 -0.9854 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 1.212 1.7424 S SKP 8 ID FL5FFCNS0024 KNApSAcK_ID C00004744 NAME Gossypetin 3,7,8,3',4'-pentamethyl ether;5-Hydroxy-3,7,8,3',4'-pentamethoxyflavone;2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7,8-trimethoxy-4H-1-benzopyran-4-one CAS_RN 14965-12-9 FORMULA C20H20O8 EXACTMASS 388.11581761599996 AVERAGEMASS 388.368 SMILES COc(c3OC)cc(c(c23)C(C(=C(O2)c(c1)cc(c(c1)OC)OC)OC)=O)O M END