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Mol:FL3FADGS0010 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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34 43 1 0 0 0 0<br />
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 CH2OH<br />
M SBV 1 44 -0.0986 -0.8517<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 OCH3<br />
M SBV 2 46 0.0000 -0.8060<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 ^ CH2OH<br />
M SBV 3 48 0.8709 0.2489<br />
S SKP 5<br />
ID FL3FADGS0010<br />
FORMULA C28H32O16<br />
EXACTMASS 624.1690349759999<br />
AVERAGEMASS 624.54408<br />
SMILES c(c1)c(C(O5)=CC(=O)c(c54)c(cc(c4)OC(O3)C(C(C(C3CO)O)O)OC(C2O)OC(C(C2O)O)CO)O)cc(c1O)OC<br />
M END<br />
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