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Mol:FL5FECGS0028 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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2 46 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 40 41<br />
M SBL 1 1 45<br />
M SMT 1 OCH3<br />
M SBV 1 45 -0.7442 0.4297<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 42 43<br />
M SBL 2 1 47<br />
M SMT 2 OCH3<br />
M SBV 2 47 0.0000 -0.7732<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 44 45<br />
M SBL 3 1 49<br />
M SMT 3 CH2OH<br />
M SBV 3 49 -0.4095 -0.6312<br />
M STY 1 4 SUP<br />
M SLB 1 4 4<br />
M SAL 4 2 46 47<br />
M SBL 4 1 51<br />
M SMT 4 ^ OCH3<br />
M SBV 4 51 0.7317 0.4225<br />
S SKP 5<br />
ID FL5FECGS0028<br />
FORMULA C30H36O17<br />
EXACTMASS 668.1952497259999<br />
AVERAGEMASS 668.59664<br />
SMILES c(c3OC(O4)C(OC(O5)C(O)C(C(O)C5C)O)C(C(C4CO)O)O)(c(c(c(c3)1)C(=O)C(=C(c(c2)ccc(c2OC)O)O1)OC)O)OC<br />
M END<br />
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