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Mol:FL5FADGSS001 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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38 39 1 0 0 0 0<br />
16 38 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 3 35 36 37<br />
M SBL 1 1 40<br />
M SMT 1 COOH<br />
M SBV 1 40 -0.9650 0.2586<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 38 39<br />
M SBL 2 1 42<br />
M SMT 2 OCH3<br />
M SBV 2 42 0.0000 -0.7614<br />
S SKP 5<br />
ID FL5FADGSS001<br />
FORMULA C22H20O16S<br />
EXACTMASS 572.047205282<br />
AVERAGEMASS 572.4506<br />
SMILES O(c(c(O)4)cc(cc4)C(O1)=C(OC(C(O)3)OC(C(O)C3O)C(O)=O)C(=O)c(c2O)c(cc(c2)OS(O)(=O)=O)1)C<br />
M END<br />
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