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Mol:FL7AADGL0007 - 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 />
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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 />
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39 40 1 0 0 0 0<br />
15 41 1 0 0 0 0<br />
41 42 1 0 0 0 0<br />
35 43 1 0 0 0 0<br />
43 44 1 0 0 0 0<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 43 44<br />
M SBL 3 1 47<br />
M SMT 3 CH2OH<br />
M SVB 3 47 -3.0176 -0.7498<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 39 40<br />
M SBL 2 1 43<br />
M SMT 2 CH2OH<br />
M SVB 2 43 2.9542 -1.1832<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 41 42<br />
M SBL 1 1 45<br />
M SMT 1 OCH3<br />
M SVB 1 45 1.5476 2.3012<br />
S SKP 8<br />
ID FL7AADGL0007<br />
KNApSAcK_ID C00006688<br />
NAME Peonin;Peonidin 3,5-diglucoside;Peonidin 3-glucoside-5-glucoside<br />
CAS_RN 132-37-6<br />
FORMULA C28H33O16<br />
EXACTMASS 625.176860008<br />
AVERAGEMASS 625.55202<br />
SMILES [o+1](c3c(c5)ccc(O)c5OC)c(c2)c(cc(O[C@@H](C(O)4)O[C@@H]([C@H](O)C4O)CO)3)c(cc2O)O[C@@H]([C@@H](O)1)OC([C@@H]([C@H](O)1)O)CO<br />
M END<br />
</pre></div>
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