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Mol:FL5FAFGS0002 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 39 40<br />
M SBL 1 1 44<br />
M SMT 1 OCH3<br />
M SBV 1 44 -0.7040 -0.4065<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 41 42<br />
M SBL 2 1 46<br />
M SMT 2 ^ CH2OH<br />
M SBV 2 46 0.5948 -0.6450<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 43 44<br />
M SBL 3 1 48<br />
M SMT 3 OCH3<br />
M SBV 3 48 0.0000 -0.7398<br />
M STY 1 4 SUP<br />
M SLB 1 4 4<br />
M SAL 4 3 45 46 47<br />
M SBL 4 1 51<br />
M SMT 4 ^ COOH<br />
M SBV 4 51 0.6756 -0.5906<br />
S SKP 5<br />
ID FL5FAFGS0002<br />
FORMULA C29H32O18<br />
EXACTMASS 668.1588642199999<br />
AVERAGEMASS 668.55358<br />
SMILES c(c(OC(O5)C(C(O)C(O)C5CO)O)2)(C(=O)3)c(OC(c(c4)ccc(c4OC)OC)=C3O)cc(c2)OC(C(O)1)OC(C(O)=O)C(O)C1O<br />
M END<br />
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