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Mol:FL7AAHGL0003 - 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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5 42 1 0 0 0 0<br />
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25 44 1 0 0 0 0<br />
44 45 1 0 0 0 0<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 42 43<br />
M SBL 2 1 46<br />
M SMT 2 CH2OH<br />
M SVB 2 46 3.6899 -2.1094<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 44 45<br />
M SBL 1 1 48<br />
M SMT 1 OCH3<br />
M SVB 1 48 -0.2166 2.5219<br />
S SKP 8<br />
ID FL7AAHGL0003<br />
KNApSAcK_ID C00006726<br />
NAME Petunidin 3-gentiobioside<br />
CAS_RN 39814-18-1<br />
FORMULA C28H33O17<br />
EXACTMASS 641.1717746300001<br />
AVERAGEMASS 641.55142<br />
SMILES C([C@H]([C@@H]2O)O[C@@H](Oc(c4)c(c(c5)cc(c(O)c5OC)O)[o+1]c(c43)cc(O)cc3O)C(C2O)O)O[C@@H](C(O)1)O[C@H](CO)[C@H](O)C1O<br />
M END<br />
</pre></div>
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