Mol:FL5FAAGS0053
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 40 0 0 0 0 0 0 0 0999 V2000 -2.4495 1.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4495 0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8932 0.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3369 0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3369 1.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8932 1.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7806 0.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2243 0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2243 1.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7806 1.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7806 -0.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4761 1.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0431 1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6101 1.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6101 2.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0431 2.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4761 2.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8932 -0.3647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4038 2.7198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9445 1.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 0.1891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1236 -0.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7518 -1.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5524 -0.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7518 0.1731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1236 0.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3228 -0.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0932 -0.1617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2849 -1.4657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7518 -1.8755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1727 -0.8868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9444 -2.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0696 -2.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2148 -2.0555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3662 -2.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9445 -1.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3662 -2.7198 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 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 3 18 1 0 0 0 0 19 15 1 0 0 0 0 20 1 1 0 0 0 0 21 8 1 0 0 0 0 4 3 1 0 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 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 27 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 26 21 1 0 0 0 0 29 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 30 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 S SKP 8 ID FL5FAAGS0053 KNApSAcK_ID C00005866 NAME Kaempferol 3-(3'',4''-diacetylrhamnoside) CAS_RN 77307-50-7 FORMULA C25H24O12 EXACTMASS 516.126776232 AVERAGEMASS 516.4508599999999 SMILES CC(=O)OC(C4OC(C)=O)C(C)OC(C4O)OC(=C2c(c3)ccc(c3)O)C(=O)c(c(O2)1)c(O)cc(O)c1 M END