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Mol:FL3FCACS0021 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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33 34 1 1 0 0 0<br />
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30 20 1 0 0 0 0<br />
39 40 1 0 0 0 0<br />
1 39 1 0 0 0 0<br />
41 42 1 0 0 0 0<br />
17 41 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 39 40<br />
M SBL 1 1 44<br />
M SMT 1 ^ OCH3<br />
M SBV 1 44 0.5812 -0.4426<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 41 42<br />
M SBL 2 1 46<br />
M SMT 2 CH2OH<br />
M SBV 2 46 -0.8641 -0.6010<br />
S SKP 5<br />
ID FL3FCACS0021<br />
FORMULA C28H32O14<br />
EXACTMASS 592.179205732<br />
AVERAGEMASS 592.54528<br />
SMILES c(O1)(c(C(C(OC(O5)C(O)C(O)C(O)C(C)5)4)OC(C(C4O)O)CO)3)c(c(cc(OC)3)O)C(C=C1c(c2)ccc(c2)O)=O<br />
M END<br />
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