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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 /> -0.7139 0.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7139 0.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.1576 -0.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3988 0.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3988 0.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.1576 1.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9551 -0.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5114 0.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5114 0.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9551 1.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9551 -0.5316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0675 1.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.6344 0.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.2014 1.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.2014 1.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.6344 2.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0675 1.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.1576 -0.6729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4876 -1.1298 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -1.9720 -1.8104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.2295 -1.5216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -0.5130 -1.5139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.0336 -0.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6832 -1.3360 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -3.2014 -1.5419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.7758 -1.8495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8040 -2.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1499 1.8439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6121 2.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.0711 1.5515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.5710 2.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6053 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0177 -0.1897 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 /> 9 12 1 0 0 0 0<br /> 12 13 2 0 0 0 0<br /> 13 14 1 0 0 0 0<br /> 14 15 2 0 0 0 0<br /> 15 16 1 0 0 0 0<br /> 16 17 2 0 0 0 0<br /> 17 12 1 0 0 0 0<br /> 3 18 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 18 1 0 0 0 0<br /> 6 28 1 0 0 0 0<br /> 28 29 1 0 0 0 0<br /> 1 30 1 0 0 0 0<br /> 30 31 1 0 0 0 0<br /> 24 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 32 33<br /> M SBL 3 1 35<br /> M SMT 3 CH2OH<br /> M SVB 3 35 -1.8671 -0.9376<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 30 31<br /> M SBL 2 1 33<br /> M SMT 2 OCH3<br /> M SVB 2 33 -1.0711 1.5515<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 28 29<br /> M SBL 1 1 31<br /> M SMT 1 OCH3<br /> M SVB 1 31 0.1499 1.8439<br /> S SKP 8<br /> ID FL3FF9GS0006<br /> KNApSAcK_ID C00004132<br /> NAME 5-Hydroxy-7,8-dimethoxyflavone 5-glucoside<br /> CAS_RN 113963-39-6<br /> FORMULA C23H24O10<br /> EXACTMASS 460.136946988<br /> AVERAGEMASS 460.43066<br /> SMILES c(c(OC)3)c(O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)c(C2=O)c(c3OC)OC(=C2)c(c1)cccc1<br /> M END<br /> &lt;/pre&gt;</div>

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