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Mol:FL3FADGS0024 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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42 43 2 0 0 0 0<br />
42 44 1 0 0 0 0<br />
33 42 1 0 0 0 0<br />
45 46 1 0 0 0 0<br />
4 45 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 3 39 40 41<br />
M SBL 1 1 45<br />
M SMT 1 ^ COOH<br />
M SBV 1 45 0.7305 0.0000<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 3 42 43 44<br />
M SBL 2 1 48<br />
M SMT 2 COOH<br />
M SBV 2 48 -0.6546 0.6134<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 45 46<br />
M SBL 3 1 50<br />
M SMT 3 OCH3<br />
M SBV 3 50 -0.5745 0.3317<br />
S SKP 5<br />
ID FL3FADGS0024<br />
FORMULA C28H28O18<br />
EXACTMASS 652.1275640920001<br />
AVERAGEMASS 652.51112<br />
SMILES O(C=1c(c4)ccc(OC(C5O)OC(C(O)=O)C(C5O)O)c4OC)c(c2)c(c(O)cc2OC(C(O)3)OC(C(O)=O)C(O)C3O)C(C1)=O<br />
M END<br />
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