Mol:FL3FELNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -2.9350 -1.3113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4088 -0.9429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4648 -0.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0470 -0.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5732 -0.3999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5172 -1.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1029 0.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6851 0.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2114 0.5115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1554 -0.1285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6927 0.8957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7933 0.7829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8504 1.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4437 1.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9800 1.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9230 0.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3296 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8790 -1.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9388 0.0654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5732 1.6128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2726 -0.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5307 2.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6178 3.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1898 -1.6291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -0.8071 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 3 19 1 0 0 0 0 15 20 1 0 0 0 0 17 21 1 0 0 0 0 14 22 1 0 0 0 0 22 23 1 0 0 0 0 2 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 24 25 M SBL 2 1 26 M SMT 2 OCH3 M SVB 2 26 -2.7769 -0.3996 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 24 M SMT 1 OCH3 M SVB 1 24 2.0624 0.2661 S SKP 8 ID FL3FELNS0001 KNApSAcK_ID C00003937 NAME 5,7,2',4'-Tetrahydroxy-6,5'-dimethoxyflavone CAS_RN 81979-84-2 FORMULA C17H14O8 EXACTMASS 346.068867424 AVERAGEMASS 346.28826 SMILES COc(c(O)3)cc(c(O)c3)C(=C2)Oc(c1)c(C(=O)2)c(O)c(OC)c(O)1 M END
