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Mol:FL7AAHGL0002 - Revision history
2026-05-15T03:48:09Z
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2009-03-14T00:00:00Z
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2008-10-07T00:00:00Z
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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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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 -0.5331 -2.6485<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 2.5708 -0.6593<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 0.8201 3.061<br />
S SKP 8<br />
ID FL7AAHGL0002<br />
KNApSAcK_ID C00006725<br />
NAME Petunidin 3-sophoroside<br />
CAS_RN -<br />
FORMULA C28H33O17<br />
EXACTMASS 641.1717746300001<br />
AVERAGEMASS 641.55142<br />
SMILES C(O)(C1O[C@H]([C@@H]5O)OC([C@H]([C@H]5O)O)CO)[C@@H](O)[C@H](O[C@H]1Oc(c(c(c4)cc(c(O)c4OC)O)2)cc(c3O)c(cc(c3)O)[o+1]2)CO<br />
M END<br />
</pre></div>
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