Mol:FL5FAAGS0049
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -2.3792 1.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3792 0.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8229 0.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2666 0.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2666 1.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8229 1.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7103 0.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 0.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 1.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7103 1.5207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7103 -0.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5464 1.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1134 1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6804 1.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6804 2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1134 2.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5464 2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8229 -0.4062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4741 2.6783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8742 1.5207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4093 0.1476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1938 -0.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8221 -1.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6227 -0.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8221 0.1316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1938 0.4944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3931 -0.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1635 -0.2032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3552 -1.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8221 -1.9169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2430 -0.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3438 -2.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 -1.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3438 -2.6783 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 S SKP 8 ID FL5FAAGS0049 KNApSAcK_ID C00005862 NAME Kaempferol 3-(4''-acetylrhamnoside) CAS_RN 135618-17-6 FORMULA C23H22O11 EXACTMASS 474.116211546 AVERAGEMASS 474.41418000000004 SMILES C(=O)(C(OC(C(O)4)OC(C(OC(C)=O)C(O)4)C)=2)c(c1O)c(OC(c(c3)ccc(c3)O)2)cc(c1)O M END