Mol:FL3FCDGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -0.5170 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0659 -0.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3851 0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3851 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0659 0.9150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8362 -0.1267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2873 0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2873 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8362 0.9150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0079 -0.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7382 0.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1979 0.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6576 0.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6576 1.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1979 1.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7382 1.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6576 1.4457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0659 -0.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 -1.1503 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0184 -1.8309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2759 -1.5422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5594 -1.5344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0801 -1.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7297 -1.3565 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2478 -1.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8222 -1.8700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8505 -2.2563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9347 -0.4314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8884 -0.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4277 2.2563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8162 3.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8742 1.2733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3742 2.1393 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 18 15 1 0 0 0 0 3 19 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 19 1 0 0 0 0 25 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 1 33 1 0 0 0 0 33 34 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 29 30 M SBL 3 1 32 M SMT 3 CH2OH M SVB 3 32 -1.9347 -0.4314 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 33 34 M SBL 2 1 36 M SMT 2 OCH3 M SVB 2 36 -0.8742 1.2733 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 2.4277 2.2563 S SKP 8 ID FL3FCDGS0002 KNApSAcK_ID C00004370 NAME Luteolin 7,3'-dimethyl ether 5-glucoside CAS_RN 83133-15-7 FORMULA C23H24O11 EXACTMASS 476.13186161 AVERAGEMASS 476.43006 SMILES C(C3=O)=C(c(c4)cc(c(c4)O)OC)Oc(c31)cc(OC)cc(O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)1 M END