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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 /> -4.4786 0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -4.4786 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.9223 -0.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.3660 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.3660 0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.9223 0.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.8097 -0.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2534 -0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.2534 0.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -2.8097 0.7788 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0<br /> -1.6973 0.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.1303 0.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5633 0.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5633 1.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.1303 1.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6973 1.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.0035 1.7606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -5.0347 0.7787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -3.9223 -1.1481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.6006 -0.5209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.5186 -0.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.9062 -0.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -0.1608 -0.6608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5892 -0.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.9769 -0.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.2314 -0.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> -1.1848 -0.2024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 0.5384 0.1163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.4398 -0.3264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.3000 -0.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 1.6994 -1.4077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.7814 -1.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.3938 -1.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.1392 -1.5476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.8892 -1.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.2769 -1.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.5314 -1.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.1152 -1.0893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.8384 -0.7706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.7454 -1.0893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.6000 -1.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 5.0347 -1.7607 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 /> 14 17 1 0 0 0 0<br /> 1 18 1 0 0 0 0<br /> 3 19 1 0 0 0 0<br /> 8 20 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 /> 24 30 1 0 0 0 0<br /> 22 20 1 0 0 0 0<br /> 32 33 1 0 0 0 0<br /> 33 34 1 1 0 0 0<br /> 34 35 1 1 0 0 0<br /> 36 35 1 1 0 0 0<br /> 36 37 1 0 0 0 0<br /> 37 32 1 0 0 0 0<br /> 32 38 1 0 0 0 0<br /> 37 39 1 0 0 0 0<br /> 36 40 1 0 0 0 0<br /> 35 41 1 0 0 0 0<br /> 41 42 1 0 0 0 0<br /> 33 31 1 0 0 0 0<br /> 31 30 1 0 0 0 0<br /> S SKP 8<br /> ID FL7AAAGL0005<br /> KNApSAcK_ID C00006637<br /> NAME Pelargonidin 3-gentiobioside<br /> CAS_RN 103102-91-6<br /> FORMULA C27H31O15<br /> EXACTMASS 595.166295322<br /> AVERAGEMASS 595.52604<br /> SMILES c(O)(c5)ccc(c5)c([o+1]2)c(OC(O3)C(O)C(O)C(O)C3COC(C4O)OC(C(C(O)4)O)CO)cc(c12)c(cc(c1)O)O<br /> M END<br /> &lt;/pre&gt;</div>

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