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Mol:FLIAAADS0001 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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41 42 1 0 0 0 0<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 -1.9315 1.3334<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 CH2OH<br />
M SVB 1 43 2.9183 -1.2878<br />
S SKP 8<br />
ID FLIAAADS0001<br />
KNApSAcK_ID C00006350<br />
NAME 8-C-Glucopyranosylgenistein 4'-O-glucoside<br />
CAS_RN 147879-67-2<br />
FORMULA C27H30O15<br />
EXACTMASS 594.15847029<br />
AVERAGEMASS 594.5181<br />
SMILES C(O1)([C@@H]([C@H](O)[C@@H]([C@@H]1c(c(O)5)c(c2c(c5)O)OC=C(c(c3)ccc(O[C@H](O4)C(O)C(O)[C@@H](O)[C@H]4CO)c3)C2=O)O)O)CO<br />
M END<br />
</pre></div>
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