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Mol:FL3FADCS0010 - Revision history
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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 43 44<br />
M SBL 3 1 47<br />
M SMT 3 CH2OH<br />
M SVB 3 47 -3.3301 -1.2909<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 41 42<br />
M SBL 2 1 45<br />
M SMT 2 CH2OH<br />
M SVB 2 45 -2.6662 0.7576<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 39 40<br />
M SBL 1 1 43<br />
M SMT 1 OCH3<br />
M SVB 1 43 3.7189 1.1067<br />
S SKP 8<br />
ID FL3FADCS0010<br />
KNApSAcK_ID C00006272<br />
NAME Isoscoparin 2''-O-glucoside<br />
CAS_RN 97605-25-9<br />
FORMULA C28H32O16<br />
EXACTMASS 624.1690349759999<br />
AVERAGEMASS 624.54408<br />
SMILES COc(c(O)5)cc(cc5)C(=C4)Oc(c1)c(C4=O)c(c([C@H](O2)[C@@H](O[C@H](O3)[C@@H](O)[C@@H](O)[C@@H](O)C3CO)[C@@H](O)[C@@H](O)C2CO)c(O)1)O<br />
M END<br />
</pre></div>
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