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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 /> -0.5385 1.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0178 1.8014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5739 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5739 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1507 0.4814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.7274 0.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.7274 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1507 1.8133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5385 0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0178 0.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1507 -0.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5977 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5977 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1507 -1.4610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.7036 -1.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.7036 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3037 1.8131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1507 -2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0163 -0.1190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.9033 -0.5341 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -1.5451 -1.0070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.0292 -0.8064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -0.5315 -0.8010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -0.8932 -0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4201 -0.6285 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -2.3638 -0.4939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.8832 -1.4521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7337 -1.3025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0452 -1.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.2561 -0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8957 2.0990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3956 2.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6924 0.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.6784 0.2702 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 7 1 0 0 0 0<br /> 7 8 1 0 0 0 0<br /> 8 3 1 0 0 0 0<br /> 1 9 1 0 0 0 0<br /> 9 10 2 0 0 0 0<br /> 10 4 1 0 0 0 0<br /> 5 11 1 0 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 /> 7 17 2 0 0 0 0<br /> 14 18 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 /> 22 28 1 0 0 0 0<br /> 19 23 1 0 0 0 0<br /> 10 19 1 0 0 0 0<br /> 13 29 1 0 0 0 0<br /> 16 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 -1.6924 0.1035<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 -0.8957 2.099<br /> S SKP 8<br /> ID FLNAALGS0001<br /> KNApSAcK_ID C00010236<br /> NAME 5,2',4',5'-Tetrahydroxy-7-methoxy-4-phenylcoumarin 5-O-glucoside<br /> CAS_RN 120931-58-0<br /> FORMULA C22H22O12<br /> EXACTMASS 478.111126168<br /> AVERAGEMASS 478.40288000000004<br /> SMILES Oc(c(O)1)cc(C(c32)=CC(=O)Oc2cc(cc3O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)OC)c(O)c1<br /> M END<br /> &lt;/pre&gt;</div>

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