Mol:FL3F1CGS0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -0.3682 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3682 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1881 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7444 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7444 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1881 0.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3007 -1.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 -0.8498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 -0.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3007 0.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3007 -1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4131 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9801 -0.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5471 0.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5471 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9801 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4131 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9243 0.1136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4001 -0.1662 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8844 -0.8468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1419 -0.5580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4255 -0.5503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9461 -0.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5957 -0.3724 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1139 -0.5783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6883 -0.8859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7165 -1.2722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5471 0.7683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6962 0.4853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6145 0.8811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2635 1.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7049 2.5691 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 1 18 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 1 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 18 1 0 0 0 0 15 28 1 0 0 0 0 24 29 1 0 0 0 0 29 30 1 0 0 0 0 16 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 29 30 M SBL 2 1 32 M SMT 2 CH2OH M SVB 2 32 -2.6962 0.4853 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 34 M SMT 1 OCH3 M SVB 1 34 3.2635 1.6718 S SKP 8 ID FL3F1CGS0004 KNApSAcK_ID C00004137 NAME 7,4'-Dihydroxy-3'-methoxyflavone 7-glucoside CAS_RN 33275-43-3 FORMULA C22H22O10 EXACTMASS 446.121296924 AVERAGEMASS 446.40408 SMILES c(c1O)(cc(C(O2)=CC(=O)c(c3)c2cc(O[C@@H]([C@@H](O)4)OC(CO)[C@H](O)[C@@H]4O)c3)cc1)OC M END