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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 /> -0.3791 -0.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3791 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1389 -1.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6569 -0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6569 -0.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1389 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1749 -1.0336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.6929 -0.7345 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> 1.6929 -0.1364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> 1.1749 0.1626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.2109 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.7332 -0.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.2555 0.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.2555 0.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.7332 1.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.2109 0.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.2555 0.7657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8971 0.1626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.2109 -1.0336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.0953 -0.0363 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -2.7241 -0.5262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.1896 -0.3184 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.6739 -0.3128 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.0486 0.0620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.5162 -0.1847 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -3.7554 -0.2131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.3027 -0.5544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.8833 -0.8325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1389 -1.6304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.9940 1.6304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.4143 2.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.7224 0.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.6768 1.0337 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 /> 4 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 5 1 0 0 0 0<br /> 9 11 1 6 0 0 0<br /> 11 12 2 0 0 0 0<br /> 12 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 11 1 0 0 0 0<br /> 17 14 1 0 0 0 0<br /> 1 18 1 0 0 0 0<br /> 8 19 1 6 0 0 0<br /> 20 21 1 1 0 0 0<br /> 21 22 1 1 0 0 0<br /> 23 22 1 1 0 0 0<br /> 23 24 1 0 0 0 0<br /> 24 25 1 0 0 0 0<br /> 25 20 1 0 0 0 0<br /> 20 26 1 0 0 0 0<br /> 21 27 1 0 0 0 0<br /> 22 28 1 0 0 0 0<br /> 23 18 1 0 0 0 0<br /> 3 29 1 0 0 0 0<br /> 15 30 1 0 0 0 0<br /> 30 31 1 0 0 0 0<br /> 25 32 1 0 0 0 0<br /> 32 33 1 0 0 0 0<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 CH2OH<br /> M SVB 2 35 -2.7224 0.7352<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 2.994 1.6304<br /> S SKP 8<br /> ID FL63ADGS0001<br /> KNApSAcK_ID C00008861<br /> NAME Symplocoside<br /> CAS_RN 76502-76-6<br /> FORMULA C22H26O11<br /> EXACTMASS 466.147511674<br /> AVERAGEMASS 466.43524<br /> SMILES O(c(c1O)cc([C@H]([C@@H]4O)Oc(c2)c(C4)c(cc2O[C@@H]([C@H]3O)OC(CO)[C@@H]([C@@H]3O)O)O)cc1)C<br /> M END<br /> &lt;/pre&gt;</div>

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