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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 /> 29 31 0 0 0 0 0 0 0 0999 V2000<br /> -2.3202 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.3202 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.7639 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2076 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2076 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.7639 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6513 -1.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.0950 -0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.0950 -0.2105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6513 0.1107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6513 -1.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4611 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.0281 -0.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5950 0.1106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5950 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.0281 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4611 0.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.8763 -1.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.0281 1.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.4610 -0.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.3271 -0.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7710 -1.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.6370 -1.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2003 -1.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4859 -1.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.6775 0.4082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.1776 1.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.1618 1.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.8763 0.6800 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 /> 2 18 1 0 0 0 0<br /> 16 19 1 0 0 0 0<br /> 14 20 1 0 0 0 0<br /> 20 21 1 0 0 0 0<br /> 8 22 1 0 0 0 0<br /> 22 23 1 0 0 0 0<br /> 3 24 1 0 0 0 0<br /> 24 25 1 0 0 0 0<br /> 1 26 1 0 0 0 0<br /> 26 27 1 0 0 0 0<br /> 15 28 1 0 0 0 0<br /> 28 29 1 0 0 0 0<br /> M STY 1 5 SUP<br /> M SLB 1 5 5<br /> M SAL 5 2 28 29<br /> M SBL 5 1 30<br /> M SMT 5 OCH3<br /> M SVB 5 30 2.1618 1.0925<br /> M STY 1 4 SUP<br /> M SLB 1 4 4<br /> M SAL 4 2 26 27<br /> M SBL 4 1 28<br /> M SMT 4 OCH3<br /> M SVB 4 28 -2.6775 0.4082<br /> M STY 1 3 SUP<br /> M SLB 1 3 3<br /> M SAL 3 2 24 25<br /> M SBL 3 1 26<br /> M SMT 3 OCH3<br /> M SVB 3 26 -2.2003 -1.3346<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 22 23<br /> M SBL 2 1 24<br /> M SMT 2 OCH3<br /> M SVB 2 24 0.1038 -1.0591<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 20 21<br /> M SBL 1 1 22<br /> M SMT 1 OCH3<br /> M SVB 1 22 1.8046 -0.0957<br /> S SKP 8<br /> ID FL5FEGNS0012<br /> KNApSAcK_ID C00004832<br /> NAME Apuleirin<br /> CAS_RN 34318-34-8<br /> FORMULA C20H20O9<br /> EXACTMASS 404.11073223799997<br /> AVERAGEMASS 404.3674<br /> SMILES COc(c(O)3)c(cc(c3)C(O1)=C(C(c(c2OC)c1cc(c(O)2)OC)=O)OC)OC<br /> M END<br /> &lt;/pre&gt;</div>

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