Mol:FL5FAAGS0052
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 40 0 0 0 0 0 0 0 0999 V2000 -2.5740 1.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5740 0.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0177 0.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4614 0.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4614 1.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0177 1.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9051 0.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3488 0.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3488 1.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9051 1.6525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9051 -0.1331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3517 1.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9187 1.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4856 1.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4856 2.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9187 2.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3517 2.4308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0177 -0.2744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2793 2.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0690 1.6525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2145 0.2794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9991 -0.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6273 -1.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 -0.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6273 0.2634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9991 0.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1984 -0.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9687 -0.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1605 -1.3754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6273 -1.7852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0482 -0.7964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8439 -2.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -2.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5715 -2.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7147 -0.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0690 0.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9673 -0.5088 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 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 28 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 S SKP 8 ID FL5FAAGS0052 KNApSAcK_ID C00005865 NAME Kaempferol 3-(2'',4''-diacetylrhamnoside) CAS_RN 133882-73-2 FORMULA C25H24O12 EXACTMASS 516.126776232 AVERAGEMASS 516.4508599999999 SMILES c(C(=O)2)(c(OC(c(c4)ccc(c4)O)=C2OC(C(OC(C)=O)3)OC(C(OC(C)=O)C(O)3)C)1)c(O)cc(O)c1 M END