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Mol:FL7AADGL0018 - Revision history
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2009-03-14T00:00:00Z
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Copyright: ARM project http://www.metabolome.jp/<br />
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M CHG 1 10 1<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 44 45<br />
M SBL 1 1 49<br />
M SMT 1 ^ CH2OH<br />
M SBV 1 49 0.5474 -0.5380<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 46 47<br />
M SBL 2 1 51<br />
M SMT 2 OCH3<br />
M SBV 2 51 0.0057 -0.6975<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 3 48 49 50<br />
M SBL 3 1 54<br />
M SMT 3 COOH<br />
M SBV 3 54 -0.5933 0.4738<br />
S SKP 5<br />
ID FL7AADGL0018<br />
FORMULA C31H35O19<br />
EXACTMASS 711.1772539379999<br />
AVERAGEMASS 711.5982<br />
SMILES c(c12)(OC(O5)C(C(O)C(O)C5CO)O)cc(O)cc([o+1]c(c(c4)ccc(O)c4OC)c(OC(O3)C(O)C(C(O)C3COC(CC(O)=O)=O)O)c2)1<br />
M END<br />
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