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Mol:FL3FCDGS0004 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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31 42 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 36 37<br />
M SBL 1 1 41<br />
M SMT 1 OCH3<br />
M SBV 1 41 0.0000 -0.7519<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 38 39<br />
M SBL 2 1 43<br />
M SMT 2 ^ OCH3<br />
M SBV 2 43 0.4807 -0.4807<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 40 41<br />
M SBL 3 1 45<br />
M SMT 3 CH2OH<br />
M SBV 3 45 -0.8167 0.3947<br />
M STY 1 4 SUP<br />
M SLB 1 4 4<br />
M SAL 4 2 42 43<br />
M SBL 4 1 47<br />
M SMT 4 CH2OH<br />
M SBV 4 47 0.0000 0.5156<br />
S SKP 5<br />
ID FL3FCDGS0004<br />
FORMULA C28H32O15<br />
EXACTMASS 608.174120354<br />
AVERAGEMASS 608.54468<br />
SMILES O(c(c(OC)3)ccc(C(=C5)Oc(c4)c(C5=O)c(O)cc(OC)4)c3)C(C1OC(C(O)2)OCC2(CO)O)OC(CO)C(C(O)1)O<br />
M END<br />
</pre></div>
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