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Mol:FL3FAAGS0027 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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35 39 1 0 0 0 0<br />
42 43 2 0 0 0 0<br />
42 44 1 0 0 0 0<br />
24 42 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 0.5604 -0.3973<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 -0.7758 0.4479<br />
S SKP 5<br />
ID FL3FAAGS0027<br />
FORMULA C27H26O17<br />
EXACTMASS 622.116999406<br />
AVERAGEMASS 622.48514<br />
SMILES C(Oc(c2)ccc(C(=C5)Oc(c3)c(C5=O)c(cc3OC(O4)C(C(C(O)C4C(O)=O)O)O)O)c2)(O1)C(C(C(O)C1C(O)=O)O)O<br />
M END<br />
</pre></div>
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