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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 /> -2.9587 -0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.9587 -0.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4024 -1.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.8461 -0.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.8461 -0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4024 0.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2898 -1.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7335 -0.6797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.7335 -0.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.2898 0.2838 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0<br /> -0.1774 0.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3896 -0.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9566 0.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9566 0.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3896 1.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.1774 0.9384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0596 -1.0480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.5148 0.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.8226 1.4384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.3262 -0.7705 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> 0.9247 -1.4658 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 1.6967 -1.2452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.6789 -1.5017 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 3.1121 -0.6148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 2.1028 -0.9911 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0<br /> 0.5339 -0.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.6826 -0.4113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.1121 0.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4024 -1.6430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.6730 1.8419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.1144 2.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.5148 -1.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.6515 -2.8325 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 3.5148 -1.8419<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 0.673 1.8419<br /> S SKP 8<br /> ID FL7AADGA0001<br /> KNApSAcK_ID C00006680<br /> NAME Peonidin 3-galactoside<br /> CAS_RN 28148-89-2<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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