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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 /> -1.6380 0.8464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.0817 0.5252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5254 0.8464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0307 0.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0307 -0.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6074 -0.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1842 -0.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1842 0.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6074 0.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.0815 -0.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5254 -0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6074 -1.1391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.7605 -0.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.7605 -1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3119 -1.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.8632 -1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.8632 -0.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3119 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.7419 0.6426 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -3.3957 0.1856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.8971 0.3795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.3774 0.3738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.7656 0.7344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.2749 0.5515 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -4.1289 0.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.7225 -0.2446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.6114 -0.1001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.4146 -1.4283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5359 -1.0785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.4743 1.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.4296 1.7238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.4146 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.1290 -0.5675 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 2 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 /> 16 28 1 0 0 0 0<br /> 11 29 1 0 0 0 0<br /> 24 30 1 0 0 0 0<br /> 30 31 1 0 0 0 0<br /> 17 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 30 31<br /> M SBL 2 1 33<br /> M SMT 2 CH2OH<br /> M SVB 2 33 -3.4743 1.4283<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 32 33<br /> M SBL 1 1 35<br /> M SMT 1 OCH3<br /> M SVB 1 35 3.4146 -0.155<br /> S SKP 8<br /> ID FLIAADGS0001<br /> KNApSAcK_ID C00010123<br /> NAME 3'-O-Methylorobol 7-O-glucoside<br /> CAS_RN 36190-96-2<br /> FORMULA C22H22O11<br /> EXACTMASS 462.116211546<br /> AVERAGEMASS 462.40348000000006<br /> SMILES [C@H]([C@@H]1O)([C@H](C(O[C@H]1Oc(c4)cc(c(c43)C(=O)C(=CO3)c(c2)cc(c(c2)O)OC)O)CO)O)O<br /> M END<br /> &lt;/pre&gt;</div>

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