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Mol:FL5FAIGA0002 - Revision history
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2009-03-14T00:00:00Z
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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 45 46<br />
M SBL 1 1 50<br />
M SMT 1 CH2OH<br />
M SBV 1 50 -0.8949 0.2296<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 47 48<br />
M SBL 2 1 52<br />
M SMT 2 OCH3<br />
M SBV 2 52 -0.7082 0.2489<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 49 50<br />
M SBL 3 1 54<br />
M SMT 3 OCH3<br />
M SBV 3 54 -0.0147 -0.6561<br />
S SKP 5<br />
ID FL5FAIGA0002<br />
FORMULA C31H36O19<br />
EXACTMASS 712.18507897<br />
AVERAGEMASS 712.6061400000001<br />
SMILES OC(C1OC(O5)C(C(O)C(O)C(COC(C)=O)5)O)C(CO)OC(OC(C(=O)3)=C(c(c4)cc(OC)c(O)c4OC)Oc(c23)cc(cc(O)2)O)C1O<br />
M END<br />
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