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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 /> 34 37 0 0 0 0 0 0 0 0999 V2000<br /> -0.7799 0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7799 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2236 -0.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3327 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3327 0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2236 0.4468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8890 -0.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4453 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4453 0.1257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8890 0.4468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8890 -1.3387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2236 -1.4800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.1252 0.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.7114 0.2114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.2976 0.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.2976 1.2267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.7114 1.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.1252 1.2267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.8835 1.5650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.3332 -0.7612 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -2.8176 -1.3387 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.3020 -1.0293 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.6007 -1.1118 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.0957 -0.6581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.6526 -0.9262 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -3.8835 -1.0789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.4600 -1.4212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.8835 0.2116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.9926 -1.5652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0014 -0.8378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.1371 0.7444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6371 1.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.8345 -0.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.7929 0.1226 0.0000 O 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 /> 3 12 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 /> 9 13 1 0 0 0 0<br /> 16 19 1 0 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 /> 2 23 1 0 0 0 0<br /> 15 28 1 0 0 0 0<br /> 22 29 1 0 0 0 0<br /> 8 30 1 0 0 0 0<br /> 1 31 1 0 0 0 0<br /> 31 32 1 0 0 0 0<br /> 25 33 1 0 0 0 0<br /> 33 34 1 0 0 0 0<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 33 34<br /> M SBL 2 1 36<br /> M SMT 2 CH2OH<br /> M SVB 2 36 -2.8345 -0.163<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 31 32<br /> M SBL 1 1 34<br /> M SMT 1 OCH3<br /> M SVB 1 34 -1.1371 0.7444<br /> S SKP 8<br /> ID FL5FCCCS0001<br /> KNApSAcK_ID C00006137<br /> NAME Keyakinin B<br /> CAS_RN -<br /> FORMULA C22H22O12<br /> EXACTMASS 478.111126168<br /> AVERAGEMASS 478.40288000000004<br /> SMILES c(c2OC)(c(O)c(C3=O)c(OC(c(c4)ccc(c4O)O)=C3O)c2)[C@H](O1)[C@@H](O)[C@H]([C@H](C1CO)O)O<br /> M END<br /> &lt;/pre&gt;</div>

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