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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 /> -0.4757 0.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.4757 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.0247 -0.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4264 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.4264 0.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.0247 0.8222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8775 -0.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.3285 0.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.3285 0.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8775 0.8222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.0492 -0.5874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.7794 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.2391 0.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.6989 0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.6989 1.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.2391 1.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.7794 1.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.0247 -0.7393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.6989 1.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9258 0.8216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.5753 -1.0575 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -2.0597 -1.7381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.3172 -1.4494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -0.6007 -1.4416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> -1.1213 -0.9209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.7709 -1.2637 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> -3.2891 -1.4696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.8635 -1.7772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8917 -2.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.4690 2.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.8575 3.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.9613 -0.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.9068 0.0420 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 15 1 0 0 0 0<br /> 1 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 /> 21 27 1 0 0 0 0<br /> 22 28 1 0 0 0 0<br /> 23 29 1 0 0 0 0<br /> 24 18 1 0 0 0 0<br /> 16 30 1 0 0 0 0<br /> 30 31 1 0 0 0 0<br /> 26 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 32 33<br /> M SBL 2 1 35<br /> M SMT 2 CH2OH<br /> M SVB 2 35 -1.9613 -0.2837<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 30 31<br /> M SBL 1 1 33<br /> M SMT 1 OCH3<br /> M SVB 1 33 2.469 2.1635<br /> S SKP 8<br /> ID FL3FADGS0001<br /> KNApSAcK_ID C00004335<br /> NAME Luteolin 3'-methyl ether 5-glucoside<br /> CAS_RN 74336-86-0<br /> FORMULA C22H22O11<br /> EXACTMASS 462.116211546<br /> AVERAGEMASS 462.40348000000006<br /> SMILES c(c4O)(cc(cc4)C(O3)=CC(=O)c(c23)c(cc(c2)O)O[C@@H]([C@@H](O)1)OC(CO)[C@@H]([C@@H]1O)O)OC<br /> M END<br /> &lt;/pre&gt;</div>

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