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Mol:FL3FADCS0016 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 52 53<br />
M SBL 1 1 58<br />
M SMT 1 OCH3<br />
M SBV 1 58 -1.1123 0.6422<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 54 55<br />
M SBL 2 1 60<br />
M SMT 2 ^ CH2OH<br />
M SBV 2 60 0.5265 -0.5265<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 56 57<br />
M SBL 3 1 62<br />
M SMT 3 ^ OCH3<br />
M SBV 3 62 0.9177 -0.1272<br />
S SKP 5<br />
ID FL3FADCS0016<br />
FORMULA C38H40O19<br />
EXACTMASS 800.216379098<br />
AVERAGEMASS 800.7128<br />
SMILES C(c(c6)ccc(c(OC)6)O)=CC(=O)OCC(C(O)1)OC(OC(C2c(c5O)c(cc(c45)OC(=CC4=O)c(c3)ccc(O)c3OC)O)C(O)C(C(O2)CO)O)C(O)C1O<br />
M END<br />
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