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Mol:FL3FFAGS0012 - 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 -3.0175 -0.115<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 -2.8716 1.6872<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 3.5941 1.9261<br />
S SKP 8<br />
ID FL3FFAGS0012<br />
KNApSAcK_ID C00004499<br />
NAME Isoscutellarein 4'-methyl ether 7-allosyl-(1->2)-glucoside<br />
CAS_RN 143061-76-1<br />
FORMULA C28H32O16<br />
EXACTMASS 624.1690349759999<br />
AVERAGEMASS 624.54408<br />
SMILES O[C@@H](C5CO)[C@@H]([C@@H]([C@@H](O5)O[C@@H]([C@H]1O)[C@H](Oc(c4O)cc(O)c(c42)C(=O)C=C(c(c3)ccc(OC)c3)O2)OC(CO)[C@@H]1O)O)O<br />
M END<br />
</pre></div>
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