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Mol:FL5FECGS0039 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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34 35 1 0 0 0 0<br />
16 34 1 0 0 0 0<br />
36 37 2 0 0 0 0<br />
36 38 1 0 0 0 0<br />
23 36 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 32 33<br />
M SBL 1 1 37<br />
M SMT 1 OCH3<br />
M SBV 1 37 -0.7402 0.4273<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 34 35<br />
M SBL 2 1 39<br />
M SMT 2 OCH3<br />
M SBV 2 39 0.0000 -0.8232<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 3 36 37 38<br />
M SBL 3 1 42<br />
M SMT 3 COOH<br />
M SBV 3 42 -0.6514 0.5847<br />
S SKP 5<br />
ID FL5FECGS0039<br />
FORMULA C24H22O14<br />
EXACTMASS 534.100955412<br />
AVERAGEMASS 534.42308<br />
SMILES c(OC)(c1)c(OC(C(O)5)OC(C(O)=O)C(C5O)O)ccc1C(=C(OC)4)Oc(c3C4=O)cc(O2)c(c3O)OC2<br />
M END<br />
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