Mol:FL5FAAGS0047
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -2.6343 0.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6343 0.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 -0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5217 0.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5217 0.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 1.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9654 -0.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4091 0.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4091 0.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9654 1.0982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9654 -0.6874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2913 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8583 0.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4253 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4253 1.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8583 2.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2913 1.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 -0.8287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 2.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1293 1.0982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 -0.2749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9388 -1.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5670 -1.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3676 -0.9926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5670 -0.2909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9388 0.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 -0.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9084 -0.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1001 -1.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4154 -2.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9879 -1.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4229 -0.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1293 -0.3857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2701 0.3781 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 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 28 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 S SKP 8 ID FL5FAAGS0047 KNApSAcK_ID C00005860 NAME Kaempferol 3-(2''-acetylrhamnoside) CAS_RN 135618-15-4 FORMULA C23H22O11 EXACTMASS 474.116211546 AVERAGEMASS 474.41418000000004 SMILES c(C(=O)2)(c1O)c(OC(c(c4)ccc(c4)O)=C2OC(C(OC(C)=O)3)OC(C)C(O)C(O)3)cc(c1)O M END
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