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Mol:FL1CBAGS0003 - 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 42 43<br />
M SBL 3 1 45<br />
M SMT 3 CH2OH<br />
M SVB 3 45 3.1228 1.7261<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 38 39<br />
M SBL 2 1 41<br />
M SMT 2 CH2OH<br />
M SVB 2 41 -2.9276 -0.1884<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 40 41<br />
M SBL 1 1 43<br />
M SMT 1 OCH3<br />
M SVB 1 43 0.6847 -0.3168<br />
S SKP 8<br />
ID FL1CBAGS0003<br />
KNApSAcK_ID C00007887<br />
NAME 4,2',4'-Trihydroxy-6'-methoxychalcone 4,4'-di-beta-glucoside<br />
CAS_RN 162440-77-9<br />
FORMULA C28H34O15<br />
EXACTMASS 610.189770418<br />
AVERAGEMASS 610.56056<br />
SMILES C(O)(C1O)[C@@H](Oc(c4)ccc(c4)C=CC(=O)c(c(OC)2)c(O)cc(O[C@H](O3)[C@@H](O)[C@@H](O)[C@@H](O)C3CO)c2)O[C@H]([C@@H](O)1)CO<br />
M END<br />
</pre></div>
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