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Mol:FL3FADGS0012 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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45 46 1 0 0 0 0<br />
16 45 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 3 39 40 41<br />
M SBL 1 1 45<br />
M SMT 1 ^ COOH<br />
M SBV 1 45 0.8438 -0.4204<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 3 42 43 44<br />
M SBL 2 1 48<br />
M SMT 2 ^ COOH<br />
M SBV 2 48 0.5177 -0.5428<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 45 46<br />
M SBL 3 1 50<br />
M SMT 3 OCH3<br />
M SBV 3 50 -0.0043 -0.6822<br />
S SKP 5<br />
ID FL3FADGS0012<br />
FORMULA C28H28O18<br />
EXACTMASS 652.1275640920001<br />
AVERAGEMASS 652.51112<br />
SMILES Oc(c43)cc(cc(OC(c(c5)cc(c(c5)O)OC)=CC4=O)3)OC(C1OC(O2)C(O)C(O)C(C(C(O)=O)2)O)OC(C(O)=O)C(C1O)O<br />
M END<br />
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