Mol:FL5FFGGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 -2.2325 0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2325 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6762 -0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1199 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1199 0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6762 1.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5636 -0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0073 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0073 0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5636 1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5636 -0.6793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5488 1.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1158 0.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6827 1.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6827 1.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1158 2.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5488 1.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6762 -0.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5488 -0.1783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4764 2.1402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8434 0.9836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2496 0.7789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7943 -1.8143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4225 -2.1770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2232 -1.4795 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4225 -0.7778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7943 -0.4150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9936 -1.1126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7640 -1.1126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9557 -2.4165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 -2.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8434 -1.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1158 2.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3982 1.6793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9617 2.5790 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 8 19 1 0 0 0 0 20 15 1 0 0 0 0 1 21 1 0 0 0 0 14 22 1 0 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 1 0 0 0 28 23 1 1 0 0 0 28 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 27 19 1 0 0 0 0 16 33 1 0 0 0 0 6 34 1 0 0 0 0 34 35 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 34 35 M SBL 1 1 37 M SMT 1 OCH3 M SVB 1 37 -1.3982 1.6793 S SKP 8 ID FL5FFGGS0001 KNApSAcK_ID C00005794 NAME Hibiscetin 8-methyl ether 3-rhamnoside;8-Hydroxymyricetin 8-methyl ether 3-rhamnoside;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-8-methoxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one CAS_RN 167499-81-2 FORMULA C22H22O13 EXACTMASS 494.10604078999995 AVERAGEMASS 494.40228 SMILES O[C@H]([C@H]1OC(=C(c(c4)cc(O)c(O)c(O)4)3)C(=O)c(c(O3)2)c(O)cc(c2OC)O)[C@@H]([C@H](O)C(C)O1)O M END