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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 /> 3.0287 0.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.6632 0.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.6632 1.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.0287 1.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3941 1.2165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3941 0.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.7468 0.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1000 0.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4531 0.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4531 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1000 -1.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.7468 -0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2035 0.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8600 0.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8600 -0.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2035 -1.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1000 -1.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3084 -1.0964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2035 -1.5829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4807 0.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.2097 0.5787 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -3.6858 -0.0585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.9327 0.2784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.1130 0.1846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -2.6369 0.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.3900 0.4850 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -2.7254 -0.2864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.4129 0.0676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.8707 0.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.3531 1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.1984 1.9385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.1563 1.5012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.8707 1.0887 0.0000 C 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 1 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 10 2 0 0 0 0<br /> 10 11 1 0 0 0 0<br /> 11 12 1 0 0 0 0<br /> 12 7 2 0 0 0 0<br /> 9 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 10 1 0 0 0 0<br /> 11 17 2 0 0 0 0<br /> 15 18 1 0 0 0 0<br /> 16 19 1 0 0 0 0<br /> 14 20 1 0 0 0 0<br /> 21 22 1 1 0 0 0<br /> 22 23 1 1 0 0 0<br /> 24 23 1 1 0 0 0<br /> 24 25 1 0 0 0 0<br /> 25 26 1 0 0 0 0<br /> 26 21 1 0 0 0 0<br /> 23 27 1 0 0 0 0<br /> 22 28 1 0 0 0 0<br /> 21 29 1 0 0 0 0<br /> 20 24 1 0 0 0 0<br /> 26 30 1 0 0 0 0<br /> 30 31 1 0 0 0 0<br /> 3 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 -3.3531 1.4042<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 4.1563 1.5012<br /> S SKP 8<br /> ID FL3FEAGS0043<br /> KNApSAcK_ID C00010278<br /> NAME Scutellarein 4'-methyl ether 7-glucoside;Stachannin<br /> CAS_RN 35536-70-0<br /> FORMULA C22H22O11<br /> EXACTMASS 462.116211546<br /> AVERAGEMASS 462.40348000000006<br /> SMILES O=C(c31)C=C(c(c4)ccc(OC)c4)Oc(cc(c(c(O)3)O)O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)1<br /> M END<br /> &lt;/pre&gt;</div>

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