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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 /> -3.2949 -0.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.2949 -0.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.7386 -1.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1823 -0.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.1823 -0.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.7386 0.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6260 -1.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.0697 -0.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.0697 -0.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6260 0.2689 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0<br /> -0.5136 0.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0534 -0.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6204 0.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6204 0.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0534 1.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5136 0.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2766 -1.0629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.8510 0.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4864 1.4235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9900 -0.7854 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> 0.5886 -1.4807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 1.3605 -1.2601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3428 -1.5166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 2.7759 -0.6297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 1.7667 -1.0060 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> 0.1977 -0.7854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3465 -0.4262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.5431 -1.0727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.7386 -1.6579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3368 1.8270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.7781 2.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.1365 -1.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.8510 -1.8270 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 2 0 0 0 0<br /> 8 9 1 0 0 0 0<br /> 9 10 2 0 0 0 0<br /> 10 5 1 0 0 0 0<br /> 9 11 1 0 0 0 0<br /> 11 12 2 0 0 0 0<br /> 12 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 11 1 0 0 0 0<br /> 17 8 1 0 0 0 0<br /> 1 18 1 0 0 0 0<br /> 14 19 1 0 0 0 0<br /> 20 21 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 20 1 0 0 0 0<br /> 20 26 1 0 0 0 0<br /> 25 27 1 0 0 0 0<br /> 24 28 1 0 0 0 0<br /> 21 17 1 0 0 0 0<br /> 3 29 1 0 0 0 0<br /> 15 30 1 0 0 0 0<br /> 30 31 1 0 0 0 0<br /> 23 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 3.1365 -1.4145<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 0.3368 1.827<br /> S SKP 8<br /> ID FL7AADGL0002<br /> KNApSAcK_ID C00006681<br /> NAME Oxycoccicyanin;Peonidin 3-O-beta-D-glucopyranoside<br /> CAS_RN 6906-39-4<br /> FORMULA C22H23O11<br /> EXACTMASS 463.124036578<br /> AVERAGEMASS 463.41142<br /> SMILES O(c(c1)c(O)ccc1c([o+1]2)c(O[C@@H](C(O)4)O[C@H](CO)[C@@H](C4O)O)cc(c(O)3)c2cc(O)c3)C<br /> M END<br /> &lt;/pre&gt;</div>

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