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Mol:FL5FABGS0008 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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15 42 1 0 0 0 0<br />
44 45 1 0 0 0 0<br />
35 44 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 0.6892 -0.5749<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 42 43<br />
M SBL 2 1 47<br />
M SMT 2 OCH3<br />
M SBV 2 47 -0.7987 -0.4612<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 44 45<br />
M SBL 3 1 49<br />
M SMT 3 ^ CH2OH<br />
M SBV 3 49 0.7254 -0.6977<br />
S SKP 5<br />
ID FL5FABGS0008<br />
FORMULA C28H30O17<br />
EXACTMASS 638.148299534<br />
AVERAGEMASS 638.5276<br />
SMILES O(C1Oc(c53)cc(cc3OC(=C(O)C(=O)5)c(c4)ccc(OC)c4)OC(C(O)2)OC(C(O)=O)C(O)C2O)C(CO)C(C(O)C(O)1)O<br />
M END<br />
</pre></div>
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