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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 /> 44 47 0 0 0 0 0 0 0 0999 V2000<br /> -3.5915 0.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.5915 0.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.0352 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4789 0.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.4789 0.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.0352 1.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.9226 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3663 0.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.3663 0.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.9226 1.0475 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0<br /> -0.8102 1.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2432 0.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3238 1.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.3238 1.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2432 2.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.8102 1.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.1476 1.0474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8906 2.0294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.0352 -0.8793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9502 -0.6367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5527 -0.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2845 -1.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.8003 -0.9776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.3192 -1.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.5875 -0.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.0716 -0.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0545 -0.7940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.2133 -0.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9946 -0.6605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.8688 -0.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.2432 2.6840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.4731 -1.5820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.4731 -2.2859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.9741 -2.5739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.0686 -2.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.5611 -2.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.1476 -2.6840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.5611 -1.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.8037 0.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.8037 0.6645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.4703 -0.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.0597 0.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.0597 0.6233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.6560 -0.3271 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 /> 1 17 1 0 0 0 0<br /> 14 18 1 0 0 0 0<br /> 3 19 1 0 0 0 0<br /> 20 8 1 0 0 0 0<br /> 21 22 1 0 0 0 0<br /> 22 23 1 1 0 0 0<br /> 23 24 1 1 0 0 0<br /> 25 24 1 1 0 0 0<br /> 25 26 1 0 0 0 0<br /> 26 21 1 0 0 0 0<br /> 21 27 1 0 0 0 0<br /> 26 28 1 0 0 0 0<br /> 25 29 1 0 0 0 0<br /> 22 20 1 0 0 0 0<br /> 24 30 1 0 0 0 0<br /> 15 31 1 0 0 0 0<br /> 30 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 1 0 0 0 0<br /> 36 37 1 0 0 0 0<br /> 36 38 2 0 0 0 0<br /> 28 39 1 0 0 0 0<br /> 39 40 2 0 0 0 0<br /> 39 41 1 0 0 0 0<br /> 41 42 1 0 0 0 0<br /> 42 43 1 0 0 0 0<br /> 42 44 2 0 0 0 0<br /> S SKP 8<br /> ID FL7AACGL0029<br /> KNApSAcK_ID C00006799<br /> NAME Cyanidin 3-(3'',6''-dimalonylglucoside)<br /> CAS_RN 180129-50-4<br /> FORMULA C27H25O17<br /> EXACTMASS 621.1091743740001<br /> AVERAGEMASS 621.4772<br /> SMILES Oc(c(O)4)ccc(c4)c([o+1]1)c(OC(O3)C(C(OC(CC(O)=O)=O)C(C3COC(CC(O)=O)=O)O)O)cc(c2O)c1cc(O)c2<br /> M END<br /> &lt;/pre&gt;</div>

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