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Mol:FL3FGCGS0008 - 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 39 40<br />
M SBL 1 1 43<br />
M SMT 1 OCH3<br />
M SBV 1 43 -0.4386 -0.8587<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 3 41 42 43<br />
M SBL 2 1 46<br />
M SMT 2 COOH<br />
M SBV 2 46 -0.8109 -1.8302<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 44 45<br />
M SBL 3 1 48<br />
M SMT 3 OCH3<br />
M SBV 3 48 -0.3504 -0.8078<br />
M STY 1 4 SUP<br />
M SLB 1 4 4<br />
M SAL 4 2 46 47<br />
M SBL 4 1 50<br />
M SMT 4 ^ OCH3<br />
M SBV 4 50 0.7329 0.5480<br />
S SKP 5<br />
ID FL3FGCGS0008<br />
FORMULA C30H34O17<br />
EXACTMASS 666.179599662<br />
AVERAGEMASS 666.58076<br />
SMILES OC(C1O)C(C(OC(Oc(c(OC)2)c(c(O)c(C4=O)c(OC(=C4)c(c3)ccc(O)c3OC)2)OC)1)COC(=O)CC(CC(O)=O)(C)O)O<br />
M END<br />
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