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Mol:FL3FCADS0003 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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42 43 1 0 0 0 0<br />
32 42 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 38 39<br />
M SBL 1 1 43<br />
M SMT 1 ^ OCH3<br />
M SBV 1 43 0.4587 -0.7946<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 40 41<br />
M SBL 2 1 45<br />
M SMT 2 CH2OH<br />
M SBV 2 45 -0.4412 -0.5145<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 42 43<br />
M SBL 3 1 47<br />
M SMT 3 CH2OH<br />
M SBV 3 47 -0.7527 -0.0356<br />
S SKP 5<br />
ID FL3FCADS0003<br />
FORMULA C28H32O15<br />
EXACTMASS 608.174120354<br />
AVERAGEMASS 608.54468<br />
SMILES C(=O)(c12)C=C(c(c5)ccc(c5)OC(O4)C(O)C(O)C(C4CO)O)Oc1c(C(C(O)3)OC(CO)C(O)C3O)c(cc(O)2)OC<br />
M END<br />
</pre></div>
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