Mol:FL5FFCGL0009
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 -1.6182 -4.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9978 -4.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5436 -4.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7099 -3.4769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3303 -3.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7845 -3.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2556 -3.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4219 -2.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0423 -2.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4966 -2.6902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -3.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2086 -1.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7457 -1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9151 -0.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5475 -0.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0103 -0.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8409 -1.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2774 -1.9186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0091 -0.6584 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6215 -1.3298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3669 -1.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1169 -1.3298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5047 -0.6584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7591 -0.8714 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2820 -0.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 -0.4058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2669 -1.0985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7168 0.2813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0766 -4.2634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6425 -0.6445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7237 -2.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9268 -1.7869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3084 -4.5703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2744 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2661 -3.3480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0223 -2.6936 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 19 20 1 0 0 0 0 20 21 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 24 26 1 0 0 0 0 23 27 1 0 0 0 0 20 18 1 0 0 0 0 18 8 1 0 0 0 0 22 21 1 1 0 0 0 15 28 1 0 0 0 0 3 29 1 0 0 0 0 16 30 1 0 0 0 0 22 31 1 0 0 0 0 31 32 1 0 0 0 0 1 33 1 0 0 0 0 33 34 1 0 0 0 0 6 35 1 0 0 0 0 35 36 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 31 32 M SBL 3 1 34 M SMT 3 CH2OH M SVB 3 34 2.7237 -2.0004 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 35 36 M SBL 2 1 38 M SMT 2 OCH3 M SVB 2 38 -2.0753 0.9371 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 33 34 M SBL 1 1 36 M SMT 1 OCH3 M SVB 1 36 -3.2669 0.6616 S SKP 8 ID FL5FFCGL0009 KNApSAcK_ID C00005711 NAME Gossypetin 7,8-dimethyl ether 3-glucoside;2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5-hydroxy-7,8-dimethoxy-4H-1-benzopyran-4-one CAS_RN 161895-69-8 FORMULA C23H24O13 EXACTMASS 508.121690854 AVERAGEMASS 508.42886 SMILES O(C(C(=O)2)=C(c(c4)cc(c(O)c4)O)Oc(c3OC)c(c(O)cc3OC)2)[C@H](O1)C(O)C([C@H]([C@@H](CO)1)O)O M END