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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 /> 35 39 0 0 0 0 0 0 0 0999 V2000<br /> -1.8631 -1.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3423 -2.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8214 -1.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8214 -1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3423 -0.9893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.8631 -1.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3005 -2.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2204 -1.8915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 0.2204 -1.2900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -0.3005 -0.9893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3005 -2.7161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3423 -2.7931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8045 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.3264 -1.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.8483 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.8483 -0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.3264 -0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8045 -0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7565 -2.4275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.3699 -0.9974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2011 0.5407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6018 0.6037 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> 0.3566 0.0531 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> 0.3006 1.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6033 1.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3006 2.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3046 2.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6073 1.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3046 1.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6071 2.6975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3699 -0.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7691 2.7931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4836 2.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4459 0.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2216 -0.2720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1 2 2 0 0 0 0<br /> 2 3 1 0 0 0 0<br /> 3 4 2 0 0 0 0<br /> 4 5 1 0 0 0 0<br /> 5 6 2 0 0 0 0<br /> 6 1 1 0 0 0 0<br /> 3 7 1 0 0 0 0<br /> 7 8 1 0 0 0 0<br /> 8 9 1 0 0 0 0<br /> 9 10 1 0 0 0 0<br /> 10 4 1 0 0 0 0<br /> 7 11 2 0 0 0 0<br /> 2 12 1 0 0 0 0<br /> 9 13 1 6 0 0 0<br /> 13 14 2 0 0 0 0<br /> 14 15 1 0 0 0 0<br /> 15 16 2 0 0 0 0<br /> 16 17 1 0 0 0 0<br /> 17 18 2 0 0 0 0<br /> 18 13 1 0 0 0 0<br /> 8 19 1 1 0 0 0<br /> 6 20 1 0 0 0 0<br /> 17 21 1 0 0 0 0<br /> 21 22 1 0 0 0 0<br /> 22 23 1 0 0 0 0<br /> 23 18 1 0 0 0 0<br /> 22 24 1 0 0 0 0<br /> 24 25 2 0 0 0 0<br /> 25 26 1 0 0 0 0<br /> 26 27 2 0 0 0 0<br /> 27 28 1 0 0 0 0<br /> 28 29 2 0 0 0 0<br /> 29 24 1 0 0 0 0<br /> 27 30 1 0 0 0 0<br /> 16 31 1 0 0 0 0<br /> 26 32 1 0 0 0 0<br /> 32 33 1 0 0 0 0<br /> 23 34 1 0 0 0 0<br /> 34 35 1 0 0 0 0<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 34 35<br /> M SBL 2 1 38<br /> M SMT 2 CH2OH<br /> M SVB 2 38 -0.4459 0.3591<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 32 33<br /> M SBL 1 1 36<br /> M SMT 1 OCH3<br /> M SVB 1 36 0.7691 2.7931<br /> S SKP 8<br /> ID FL4DACNN0004<br /> KNApSAcK_ID C00008663<br /> NAME Isosilychristin<br /> CAS_RN 77182-66-2<br /> FORMULA C25H22O10<br /> EXACTMASS 482.121296924<br /> AVERAGEMASS 482.43618000000004<br /> SMILES c(C2=O)(c1O)c(O[C@H](c(c5)c(C3CO)c(c(O)c5)OC3c(c4)ccc(O)c(OC)4)[C@H]2O)cc(c1)O<br /> M END<br /> &lt;/pre&gt;</div>

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