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Mol:FL5FECGS0014 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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25 31 1 0 0 0 0<br />
34 35 1 0 0 0 0<br />
2 34 1 0 0 0 0<br />
36 37 1 0 0 0 0<br />
8 36 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 3 31 32 33<br />
M SBL 1 1 36<br />
M SMT 1 COOH<br />
M SBV 1 36 -0.7893 0.4662<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 34 35<br />
M SBL 2 1 38<br />
M SMT 2 ^ OCH3<br />
M SBV 2 38 0.6455 0.3726<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 36 37<br />
M SBL 3 1 40<br />
M SMT 3 OCH3<br />
M SBV 3 40 -0.8167 0.4714<br />
S SKP 5<br />
ID FL5FECGS0014<br />
FORMULA C23H22O14<br />
EXACTMASS 522.100955412<br />
AVERAGEMASS 522.41238<br />
SMILES O(C)C(=C(c(c3)ccc(OC(O4)C(O)C(C(O)C4C(O)=O)O)c3O)2)C(=O)c(c(O2)1)c(c(OC)c(c1)O)O<br />
M END<br />
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