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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 /> 34 37 0 0 0 0 0 0 0 0999 V2000<br /> -3.8126 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.8126 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.2563 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.7000 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.7000 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.2563 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1437 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5874 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5874 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1437 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1437 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.0313 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4643 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1027 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1027 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4643 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.0313 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.2563 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5870 1.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4643 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5983 1.5985 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> 1.8942 0.9787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 2.5702 1.1003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.2177 0.8713 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 2.9218 1.4912 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> 2.2457 1.3695 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> 1.3107 1.9351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.1693 0.1807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.1752 1.7697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.2473 1.7191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7214 -1.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1447 -1.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.1299 0.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.2313 -0.5332 0.0000 O 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 /> 9 12 1 0 0 0 0<br /> 12 13 2 0 0 0 0<br /> 13 14 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 12 1 0 0 0 0<br /> 3 18 1 0 0 0 0<br /> 19 15 1 0 0 0 0<br /> 16 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 /> 1 28 1 0 0 0 0<br /> 19 22 1 0 0 0 0<br /> 26 29 1 0 0 0 0<br /> 25 30 1 0 0 0 0<br /> 8 31 1 0 0 0 0<br /> 31 32 1 0 0 0 0<br /> 24 33 1 0 0 0 0<br /> 33 34 1 0 0 0 0<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 33 34<br /> M SBL 2 1 36<br /> M SMT 2 CH2OH<br /> M SVB 2 36 3.3724 0.8315<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 31 32<br /> M SBL 1 1 34<br /> M SMT 1 OCH3<br /> M SVB 1 34 -1.3885 -1.0246<br /> S SKP 8<br /> ID FL5FDCGS0008<br /> KNApSAcK_ID C00005496<br /> NAME Quercetin 3-methyl ether 4'-glucoside<br /> CAS_RN 22255-19-2<br /> FORMULA C22H22O12<br /> EXACTMASS 478.111126168<br /> AVERAGEMASS 478.40288000000004<br /> SMILES O[C@@H](C4O)[C@@H](O[C@H](CO)C4O)Oc(c1)c(cc(C(=C(OC)2)Oc(c3)c(c(cc3O)O)C2=O)c1)O<br /> M END<br /> &lt;/pre&gt;</div>

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