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Mol:FL3FADDS0001 - 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 -2.3527 -0.569<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 -3.2284 0.8335<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 3.5848 0.3848<br />
S SKP 8<br />
ID FL3FADDS0001<br />
KNApSAcK_ID C00006273<br />
NAME Isoscoparin 7-O-glucoside<br />
CAS_RN 50307-26-1<br />
FORMULA C28H32O16<br />
EXACTMASS 624.1690349759999<br />
AVERAGEMASS 624.54408<br />
SMILES COc(c(O)5)cc(cc5)C(O1)=CC(c(c3O)c(cc(c3[C@@H]([C@H]4O)OC(CO)[C@H](O)[C@@H]4O)O[C@@H]([C@@H](O)2)OC(CO)[C@H](O)[C@H](O)2)1)=O<br />
M END<br />
</pre></div>
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