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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 /> 36 39 0 0 0 0 0 0 0 0999 V2000<br /> -2.2456 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2456 0.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.7070 0.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.1685 0.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.1685 1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.7070 1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.6300 0.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.0915 0.4739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -0.0915 1.0957 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> -0.6300 1.4066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.7838 1.4065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3881 1.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9328 1.0581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4775 1.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4775 2.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9328 2.3160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3881 2.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3304 -0.0760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.4775 2.0016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3304 -0.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.0923 -1.2041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9966 -1.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9966 -1.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5925 -2.1981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.1884 -1.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.1884 -1.1660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5925 -0.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5925 -2.8856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.7838 -2.1979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.7838 -0.8223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2049 2.8856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.6359 3.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3435 0.8726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.3435 0.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1524 0.0076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.4379 -0.4049 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 /> 4 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 1 0 0 0 0<br /> 10 5 1 0 0 0 0<br /> 1 11 1 0 0 0 0<br /> 9 12 1 6 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 /> 8 18 1 6 0 0 0<br /> 15 19 1 0 0 0 0<br /> 18 20 1 0 0 0 0<br /> 20 21 2 0 0 0 0<br /> 20 22 1 0 0 0 0<br /> 22 23 2 0 0 0 0<br /> 23 24 1 0 0 0 0<br /> 24 25 2 0 0 0 0<br /> 25 26 1 0 0 0 0<br /> 26 27 2 0 0 0 0<br /> 27 22 1 0 0 0 0<br /> 24 28 1 0 0 0 0<br /> 25 29 1 0 0 0 0<br /> 26 30 1 0 0 0 0<br /> 16 31 1 0 0 0 0<br /> 31 32 1 0 0 0 0<br /> 14 33 1 0 0 0 0<br /> 33 34 1 0 0 0 0<br /> 3 35 1 0 0 0 0<br /> 35 36 1 0 0 0 0<br /> M STY 1 3 SUP<br /> M SLB 1 3 3<br /> M SAL 3 2 35 36<br /> M SBL 3 1 38<br /> M SMT 3 OCH3<br /> M SVB 3 38 -2.1524 0.0076<br /> M STY 1 2 SUP<br /> M SLB 1 2 2<br /> M SAL 2 2 33 34<br /> M SBL 2 1 36<br /> M SMT 2 OCH3<br /> M SVB 2 36 1.6645 1.1663<br /> M STY 1 1 SUP<br /> M SLB 1 1 1<br /> M SAL 1 2 31 32<br /> M SBL 1 1 34<br /> M SMT 1 OCH3<br /> M SVB 1 34 1.2049 2.8856<br /> S SKP 8<br /> ID FL63BINS0001<br /> KNApSAcK_ID C00008893<br /> NAME Epigallocatechin 5,3',5'-trimethyl ether 3-O-gallate<br /> CAS_RN 148707-36-2<br /> FORMULA C25H24O11<br /> EXACTMASS 500.13186161<br /> AVERAGEMASS 500.45146<br /> SMILES O([C@H](C4)[C@H](Oc(c34)cc(cc(OC)3)O)c(c2)cc(c(O)c(OC)2)OC)C(=O)c(c1)cc(c(c1O)O)O<br /> M END<br /> &lt;/pre&gt;</div>

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