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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 /> 42 46 0 0 0 0 0 0 0 0999 V2000<br /> 2.2877 -0.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5732 -0.2823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8587 -0.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8587 -1.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5732 -1.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.2877 -1.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1443 -0.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5702 -0.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5702 -1.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1443 -1.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5732 -2.5043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.0891 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.8035 -0.6446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.5180 -0.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.5180 0.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.8035 1.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.0891 0.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 5.2015 0.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.1443 -2.7023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2607 -0.2961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3692 2.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8577 1.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.3453 1.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2341 0.3243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2545 0.9893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2578 1.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2155 2.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.0059 2.7023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8577 2.4137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2155 2.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.0528 0.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.0399 1.3467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.7478 1.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.4686 1.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.4816 0.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.7737 0.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.7866 -0.7032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -5.2015 0.1436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -5.1756 1.7923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.3200 1.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.3070 2.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6130 1.3243 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 1 0 0 0 0<br /> 3 4 2 0 0 0 0<br /> 4 5 1 0 0 0 0<br /> 5 6 1 0 0 0 0<br /> 6 1 2 0 0 0 0<br /> 3 7 1 0 0 0 0<br /> 7 8 2 0 0 0 0<br /> 8 9 1 0 0 0 0<br /> 9 10 2 0 0 0 0<br /> 10 4 1 0 0 0 0<br /> 5 11 2 0 0 0 0<br /> 1 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 /> 15 18 1 0 0 0 0<br /> 10 19 1 0 0 0 0<br /> 8 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 /> 26 27 1 0 0 0 0<br /> 27 30 1 0 0 0 0<br /> 21 28 1 0 0 0 0<br /> 22 29 1 0 0 0 0<br /> 7 24 1 0 0 0 0<br /> 31 32 2 0 0 0 0<br /> 32 33 1 0 0 0 0<br /> 33 34 2 0 0 0 0<br /> 34 35 1 0 0 0 0<br /> 35 36 2 0 0 0 0<br /> 36 31 1 0 0 0 0<br /> 36 37 1 0 0 0 0<br /> 35 38 1 0 0 0 0<br /> 34 39 1 0 0 0 0<br /> 32 40 1 0 0 0 0<br /> 40 41 2 0 0 0 0<br /> 40 42 1 0 0 0 0<br /> 42 23 1 0 0 0 0<br /> S SKP 8<br /> ID FL3FAACS0087<br /> KNApSAcK_ID C00014088<br /> NAME Vitexin 2''-O-gallate<br /> CAS_RN 267883-59-0<br /> FORMULA C28H24O14<br /> EXACTMASS 584.116605476<br /> AVERAGEMASS 584.48176<br /> SMILES C(C(c(c(O)5)c(O3)c(c(c5)O)C(=O)C=C3c(c4)ccc(c4)O)2)(C(O)C(O)C(CO)O2)OC(=O)c(c1)cc(O)c(O)c1O<br /> M END<br /> &lt;/pre&gt;</div>

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