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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 /> -1.6380 1.0715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.0817 0.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5254 1.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0307 0.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0307 0.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6074 -0.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1842 0.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1842 0.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6074 1.0834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.0815 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5254 -0.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6074 -0.9140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.7605 -0.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.7605 -0.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3119 -1.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.8632 -0.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.8632 -0.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3119 0.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.7419 0.8677 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -3.3957 0.4107 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.8971 0.6046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.3774 0.5989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.7656 0.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.2749 0.7766 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -4.1289 1.0912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.7225 -0.0195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.6114 0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.5445 1.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.9063 2.2736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.4146 0.0701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.1290 -0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.7292 -1.3849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.5952 -1.8849 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 7 1 0 0 0 0<br /> 7 8 2 0 0 0 0<br /> 8 9 1 0 0 0 0<br /> 9 4 1 0 0 0 0<br /> 2 10 1 0 0 0 0<br /> 10 11 2 0 0 0 0<br /> 11 5 1 0 0 0 0<br /> 6 12 2 0 0 0 0<br /> 7 13 1 0 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 /> 19 20 1 1 0 0 0<br /> 20 21 1 1 0 0 0<br /> 22 21 1 1 0 0 0<br /> 22 23 1 0 0 0 0<br /> 23 24 1 0 0 0 0<br /> 24 19 1 0 0 0 0<br /> 19 25 1 0 0 0 0<br /> 20 26 1 0 0 0 0<br /> 21 27 1 0 0 0 0<br /> 22 1 1 0 0 0 0<br /> 24 28 1 0 0 0 0<br /> 28 29 1 0 0 0 0<br /> 17 30 1 0 0 0 0<br /> 30 31 1 0 0 0 0<br /> 16 32 1 0 0 0 0<br /> 32 33 1 0 0 0 0<br /> M STY 1 3 SUP<br /> M SLB 1 3 3<br /> M SAL 3 2 28 29<br /> M SBL 3 1 31<br /> M SMT 3 CH2OH<br /> M SVB 3 31 -3.5445 1.5037<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 32 33<br /> M SBL 2 1 35<br /> M SMT 2 OCH3<br /> M SVB 2 35 3.0573 -1.0912<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 30 31<br /> M SBL 1 1 33<br /> M SMT 1 OCH3<br /> M SVB 1 33 3.4146 0.0701<br /> S SKP 8<br /> ID FLIA1CGS0004<br /> KNApSAcK_ID C00010091<br /> NAME Cladrin 7-O-glucoside<br /> CAS_RN 68862-12-4<br /> FORMULA C23H24O10<br /> EXACTMASS 460.136946988<br /> AVERAGEMASS 460.43066<br /> SMILES c(c4)c(cc(c4OC)OC)C(C(=O)1)=COc(c2)c(ccc2O[C@@H]([C@@H](O)3)OC(CO)[C@H](O)[C@@H]3O)1<br /> M END<br /> &lt;/pre&gt;</div>

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