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Mol:FL7AAGGL0005 - Revision history
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<p><b>New page</b></p><div><pre><br />
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Copyright: ARM project http://www.metabolome.jp/<br />
43 47 0 0 0 0 0 0 0 0999 V2000<br />
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-0.9296 -2.4569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
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6 1 2 0 0 0 0<br />
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7 8 2 0 0 0 0<br />
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10 5 1 0 0 0 0<br />
9 11 1 0 0 0 0<br />
11 12 2 0 0 0 0<br />
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13 14 2 0 0 0 0<br />
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15 16 2 0 0 0 0<br />
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15 17 1 0 0 0 0<br />
1 18 1 0 0 0 0<br />
14 19 1 0 0 0 0<br />
3 20 1 0 0 0 0<br />
21 8 1 0 0 0 0<br />
13 22 1 0 0 0 0<br />
23 24 1 0 0 0 0<br />
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25 26 1 1 0 0 0<br />
27 26 1 1 0 0 0<br />
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28 30 1 0 0 0 0<br />
27 31 1 0 0 0 0<br />
24 21 1 0 0 0 0<br />
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34 35 1 0 0 0 0<br />
35 36 1 0 0 0 0<br />
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37 38 1 0 0 0 0<br />
32 39 1 0 0 0 0<br />
33 40 1 0 0 0 0<br />
34 41 1 0 0 0 0<br />
36 29 1 0 0 0 0<br />
26 42 1 0 0 0 0<br />
42 43 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 42 43<br />
M SBL 1 1 46<br />
M SMT 1 CH2OH<br />
M SVB 1 46 0.0562 -2.6247<br />
S SKP 8<br />
ID FL7AAGGL0005<br />
KNApSAcK_ID C00006707<br />
NAME Delhpinidin 3-neohesperidoside;Delhpinidin 3-(2rhamnosylglucoside)<br />
CAS_RN 120727-37-9<br />
FORMULA C27H31O16<br />
EXACTMASS 611.161209944<br />
AVERAGEMASS 611.52544<br />
SMILES [C@@H]([C@H](O)5)([C@H](OC(C)[C@H]5O)OC([C@@H]1Oc(c2)c(c(c4)cc(O)c(c(O)4)O)[o+1]c(c3)c(c(cc3O)O)2)C([C@H]([C@H](O1)CO)O)O)O<br />
M END<br />
</pre></div>
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