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Mol:FLIA3AGS0003 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
44 48 0 0 0 0 0 0 0 0999 V2000<br />
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39 40 1 0 0 0 0<br />
24 41 1 0 0 0 0<br />
41 42 1 0 0 0 0<br />
3 43 1 0 0 0 0<br />
43 44 1 0 0 0 0<br />
M STY 1 4 SUP<br />
M SLB 1 4 4<br />
M SAL 4 2 41 42<br />
M SBL 4 1 45<br />
M SMT 4 CH2OH<br />
M SVB 4 45 -2.2624 1.4332<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 37 38<br />
M SBL 3 1 41<br />
M SMT 3 CH2OH<br />
M SVB 3 41 -4.4693 0.6082<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 43 44<br />
M SBL 2 1 47<br />
M SMT 2 OCH3<br />
M SVB 2 47 1.0347 1.5741<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 4.3394 -1.1616<br />
S SKP 8<br />
ID FLIA3AGS0003<br />
KNApSAcK_ID C00010096<br />
NAME 8-O-Methylretusin 7-O-laminaribioside<br />
CAS_RN 56222-46-9<br />
FORMULA C29H34O15<br />
EXACTMASS 622.189770418<br />
AVERAGEMASS 622.5712599999999<br />
SMILES O([C@@H]([C@H]5O)OC([C@@H]([C@H](O)5)O)CO)[C@H]([C@H](O)1)[C@H](C(O[C@H]1Oc(c4OC)ccc(c24)C(C(c(c3)ccc(OC)c3)=CO2)=O)CO)O<br />
M END<br />
</pre></div>
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