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<p></p> <p><b>New page</b></p><div>&lt;pre&gt;<br /> <br /> Copyright: ARM project http://www.metabolome.jp/<br /> 33 36 0 0 0 0 0 0 0 0999 V2000<br /> -2.0227 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0227 -1.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4664 -1.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9101 -1.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9101 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4664 -0.5145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3538 -1.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2025 -1.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2025 -0.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3538 -0.5145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3538 -2.3001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.5788 -0.5147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4664 -2.4414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8205 -0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4067 -0.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9929 -0.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9929 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4067 0.5213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8205 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.9929 0.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.1179 1.8193 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -1.7234 1.3605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.4665 0.6999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.4597 0.0624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -0.9963 0.5256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3014 1.1036 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -1.2845 2.4414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.7583 2.0757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1020 0.3214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7957 1.3956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.0812 0.9831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.6996 1.1030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.1493 1.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1 2 1 0 0 0 0<br /> 2 3 2 0 0 0 0<br /> 3 4 1 0 0 0 0<br /> 4 5 2 0 0 0 0<br /> 5 6 1 0 0 0 0<br /> 6 1 2 0 0 0 0<br /> 4 7 1 0 0 0 0<br /> 7 8 1 0 0 0 0<br /> 8 9 2 0 0 0 0<br /> 9 10 1 0 0 0 0<br /> 10 5 1 0 0 0 0<br /> 7 11 2 0 0 0 0<br /> 1 12 1 0 0 0 0<br /> 3 13 1 0 0 0 0<br /> 14 15 2 0 0 0 0<br /> 15 16 1 0 0 0 0<br /> 16 17 2 0 0 0 0<br /> 17 18 1 0 0 0 0<br /> 18 19 2 0 0 0 0<br /> 19 14 1 0 0 0 0<br /> 14 9 1 0 0 0 0<br /> 17 20 1 0 0 0 0<br /> 21 22 1 1 0 0 0<br /> 22 23 1 1 0 0 0<br /> 24 23 1 1 0 0 0<br /> 24 25 1 0 0 0 0<br /> 25 26 1 0 0 0 0<br /> 26 21 1 0 0 0 0<br /> 21 27 1 0 0 0 0<br /> 22 28 1 0 0 0 0<br /> 23 29 1 0 0 0 0<br /> 6 24 1 0 0 0 0<br /> 26 30 1 0 0 0 0<br /> 30 31 1 0 0 0 0<br /> 18 32 1 0 0 0 0<br /> 32 33 1 0 0 0 0<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 30 31<br /> M SBL 2 1 33<br /> M SMT 2 CH2OH<br /> M SVB 2 33 -0.7957 1.3956<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 32 33<br /> M SBL 1 1 35<br /> M SMT 1 OCH3<br /> M SVB 1 35 1.6996 1.103<br /> S SKP 8<br /> ID FL3FADCS0017<br /> KNApSAcK_ID C00006364<br /> NAME Scoparin;8-C-beta-D-Glucopyranosylchrysoeriol;Chrysoeriol 8-C-glucoside;Scoparoside;8-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one<br /> CAS_RN 301-16-6<br /> FORMULA C22H22O11<br /> EXACTMASS 462.116211546<br /> AVERAGEMASS 462.40348000000006<br /> SMILES O[C@@H]([C@H]4O)[C@H](O)[C@@H](OC4CO)c(c31)c(O)cc(O)c1C(=O)C=C(O3)c(c2)cc(c(c2)O)OC<br /> M END<br /> &lt;/pre&gt;</div>

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