Mol:FL5FAAGS0048
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -2.1792 1.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1792 0.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6229 0.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0666 0.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0666 1.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6229 1.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5103 0.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 0.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 1.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5103 1.5524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5103 -0.2332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7465 1.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3135 1.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8804 1.6760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8804 2.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3135 2.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7465 2.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6229 -0.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6741 2.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6741 1.5524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6093 0.1793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3939 -0.8732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0221 -1.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8228 -0.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0221 0.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3939 0.5261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5932 -0.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3635 -0.1715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5553 -1.4754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8706 -1.8016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 -0.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0124 -2.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4135 -1.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0124 -2.7100 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 29 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 S SKP 8 ID FL5FAAGS0048 KNApSAcK_ID C00005861 NAME Kaempferol 3-(3''-acetylrhamnoside) CAS_RN 135618-16-5 FORMULA C23H22O11 EXACTMASS 474.116211546 AVERAGEMASS 474.41418000000004 SMILES C(=O)(C=2OC(O4)C(O)C(C(C(C)4)O)OC(C)=O)c(c1O)c(OC(c(c3)ccc(c3)O)2)cc(c1)O M END
</pre>