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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 /> 28 30 0 0 0 0 0 0 0 0999 V2000<br /> -2.0624 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0624 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5061 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9498 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9498 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5061 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3935 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1628 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1628 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3935 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3935 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7189 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2859 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.8528 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.8528 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2859 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7189 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.8528 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2281 0.7229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7916 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4197 0.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.9198 1.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.0288 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.8948 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.9425 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2281 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5693 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0107 2.6052 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 /> 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 /> 15 18 1 0 0 0 0<br /> 6 19 1 0 0 0 0<br /> 19 20 1 0 0 0 0<br /> 1 21 1 0 0 0 0<br /> 21 22 1 0 0 0 0<br /> 8 23 1 0 0 0 0<br /> 23 24 1 0 0 0 0<br /> 3 25 1 0 0 0 0<br /> 25 26 1 0 0 0 0<br /> 16 27 1 0 0 0 0<br /> 27 28 1 0 0 0 0<br /> M STY 1 5 SUP<br /> M SLB 1 5 5<br /> M SAL 5 2 27 28<br /> M SBL 5 1 29<br /> M SMT 5 OCH3<br /> M SVB 5 29 1.5693 1.7079<br /> M STY 1 4 SUP<br /> M SLB 1 4 4<br /> M SAL 4 2 25 26<br /> M SBL 4 1 27<br /> M SMT 4 OCH3<br /> M SVB 4 27 -1.9425 -1.2954<br /> M STY 1 3 SUP<br /> M SLB 1 3 3<br /> M SAL 3 2 23 24<br /> M SBL 3 1 25<br /> M SMT 3 OCH3<br /> M SVB 3 25 0.3617 -1.0199<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 21 22<br /> M SBL 2 1 23<br /> M SMT 2 OCH3<br /> M SVB 2 23 -2.4197 0.4474<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 19 20<br /> M SBL 1 1 21<br /> M SMT 1 OCH3<br /> M SVB 1 21 -1.2281 0.7229<br /> S SKP 8<br /> ID FL5FFCNS0022<br /> KNApSAcK_ID C00004742<br /> NAME Gossypetin 3,5,7,8,3'-pentamethyl ether<br /> CAS_RN 7741-44-8<br /> FORMULA C20H20O8<br /> EXACTMASS 388.11581761599996<br /> AVERAGEMASS 388.368<br /> SMILES COc(c3OC)cc(c(c23)C(C(=C(O2)c(c1)cc(c(O)c1)OC)OC)=O)OC<br /> M END<br /> &lt;/pre&gt;</div>

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