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Mol:FL7AAHGL0005 - 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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44 45 1 0 0 0 0<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 44 45<br />
M SBL 3 1 48<br />
M SMT 3 CH2OH<br />
M SVB 3 48 -3.0926 -0.7942<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 40 41<br />
M SBL 2 1 44<br />
M SMT 2 CH2OH<br />
M SVB 2 44 3.0725 -1.2104<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 OCH3<br />
M SVB 1 46 1.6929 2.2261<br />
S SKP 8<br />
ID FL7AAHGL0005<br />
KNApSAcK_ID C00006728<br />
NAME Petunin;Petunidin 3,5-di-O-beta-D-glucoside<br />
CAS_RN 25846-73-5<br />
FORMULA C28H33O17<br />
EXACTMASS 641.1717746300001<br />
AVERAGEMASS 641.55142<br />
SMILES c(c1)(c(O)c(cc1c(c4O[C@H](O5)C(C([C@H]([C@H]5CO)O)O)O)[o+1]c(c(c4)2)cc(cc(O[C@@H]([C@@H](O)3)OC([C@@H]([C@H](O)3)O)CO)2)O)O)OC<br />
M END<br />
</pre></div>
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