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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 /> 45 49 0 0 0 0 0 0 0 0999 V2000<br /> -3.2567 0.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.9852 -0.2558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.3453 -0.3118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.9768 0.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2483 0.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.8882 0.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3369 0.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9685 0.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2400 1.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.8799 1.3227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.1252 -0.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8716 1.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2194 1.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1560 2.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.1207 2.8653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7728 2.9224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.1483 2.3861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.1485 0.4597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9113 1.2460 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> 0.5237 0.5746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 1.2691 0.7876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0191 0.5746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 2.4068 1.2460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 1.6613 1.0330 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> 0.1842 1.0512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9302 1.4986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.8931 1.1157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2547 3.4015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.0739 -0.8936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.8942 0.2481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.6481 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.9936 -0.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.9532 -0.7959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.6183 -0.7959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3345 -1.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3345 -1.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.7029 -2.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1394 -1.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5758 -2.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5758 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1394 -3.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.7029 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0126 -3.2502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2186 -1.6555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2814 -0.7895 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 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 /> 19 20 1 0 0 0 0<br /> 20 21 1 1 0 0 0<br /> 23 22 1 1 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 /> 24 26 1 0 0 0 0<br /> 23 27 1 0 0 0 0<br /> 20 18 1 0 0 0 0<br /> 18 8 1 0 0 0 0<br /> 22 21 1 1 0 0 0<br /> 15 28 1 0 0 0 0<br /> 3 29 1 0 0 0 0<br /> 1 30 1 0 0 0 0<br /> 22 31 1 0 0 0 0<br /> 31 32 1 0 0 0 0<br /> 32 33 1 0 0 0 0<br /> 33 34 2 0 0 0 0<br /> 33 35 1 0 0 0 0<br /> 35 36 2 0 0 0 0<br /> 36 37 1 0 0 0 0<br /> 37 38 2 0 0 0 0<br /> 38 39 1 0 0 0 0<br /> 39 40 2 0 0 0 0<br /> 40 41 1 0 0 0 0<br /> 41 42 2 0 0 0 0<br /> 42 37 1 0 0 0 0<br /> 40 43 1 0 0 0 0<br /> 39 44 1 0 0 0 0<br /> 44 45 1 0 0 0 0<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 44 45<br /> M SBL 1 1 48<br /> M SMT 1 OCH3<br /> M SVB 1 48 0.2186 -1.6555<br /> S SKP 8<br /> ID FL5FAAGL0070<br /> KNApSAcK_ID C00005852<br /> NAME Kaempferol 3-(6''-ferulylglucoside);5,7-Dihydroxy-3-[[6-O-[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one<br /> CAS_RN 69200-62-0<br /> FORMULA C31H28O14<br /> EXACTMASS 624.147905604<br /> AVERAGEMASS 624.5456200000001<br /> SMILES C(=O)(OC[C@@H](O2)[C@H](O)C(O)C([C@H](OC(=C3c(c5)ccc(c5)O)C(c(c(O)4)c(cc(O)c4)O3)=O)2)O)C=Cc(c1)cc(c(O)c1)OC<br /> M END<br /> &lt;/pre&gt;</div>

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