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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 38 0 0 0 0 0 0 0 0999 V2000<br /> -1.0861 1.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5298 1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0265 1.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5826 1.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5826 0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1593 0.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.7361 0.3661 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> 1.7361 1.0321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1593 1.3651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5296 0.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0265 0.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1593 -0.6324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3124 0.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3124 -0.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.8638 -0.9216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.4151 -0.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.4151 0.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.8638 0.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.1900 1.1494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -2.8438 0.6923 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.3452 0.8862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.8255 0.8805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.2137 1.2411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.7230 1.0582 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -3.8882 0.9623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.3835 0.6661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0595 0.4066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.9961 -1.5443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.6293 -1.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.8882 -1.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.6612 1.4043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.8306 2.3899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.1394 0.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.8539 0.5109 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 1 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 /> 15 28 1 0 0 0 0<br /> 28 29 1 0 0 0 0<br /> 29 30 1 0 0 0 0<br /> 30 16 1 0 0 0 0<br /> 24 31 1 0 0 0 0<br /> 31 32 1 0 0 0 0<br /> 18 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 31 32<br /> M SBL 2 1 35<br /> M SMT 2 CH2OH<br /> M SVB 2 35 -2.4653 1.3973<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 33 34<br /> M SBL 1 1 37<br /> M SMT 1 OCH3<br /> M SVB 1 37 3.1394 0.9234<br /> S SKP 8<br /> ID FLIB1LGS0001<br /> KNApSAcK_ID C00010175<br /> NAME Onogenin 7-O-glucoside;Onoside<br /> CAS_RN 96304-52-8<br /> FORMULA C23H24O11<br /> EXACTMASS 476.13186161<br /> AVERAGEMASS 476.43006<br /> SMILES c(O5)(c(OC5)4)cc(c(OC)c4)C(C(=O)1)COc(c2)c1ccc(O[C@@H]([C@@H](O)3)OC(CO)[C@H](O)[C@@H]3O)2<br /> M END<br /> &lt;/pre&gt;</div>

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