Mol:FL3FACGS0017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -3.5496 -0.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5496 -0.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0985 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6474 -0.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6474 -0.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0985 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1964 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7453 -0.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7453 -0.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1964 0.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1964 -1.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2944 0.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8347 -0.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 0.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 0.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8347 0.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2944 0.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0691 0.0770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0985 -1.5240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0847 0.8336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8325 1.5240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7346 1.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 0.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0924 0.7313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8424 0.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2301 1.1897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4846 0.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0147 0.9968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7916 1.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7895 0.8668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3546 0.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0691 0.1325 0.0000 O 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 1 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 26 30 1 0 0 0 0 23 20 1 0 0 0 0 25 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 34 M SMT 1 CH2OH M SBV 1 34 -4.8853 3.2789 S SKP 8 ID FL3FACGS0017 KNApSAcK_ID C00004276 NAME Luteolin 4'-glucoside CAS_RN 6920-38-3 FORMULA C21H20O11 EXACTMASS 448.100561482 AVERAGEMASS 448.3769 SMILES c(c2)(C(=C3)Oc(c4)c(c(cc(O)4)O)C(=O)3)cc(O)c(c2)OC(O1)C(O)C(O)C(O)C1CO M END