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Mol:FL5FAAGA0037 - 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 62 63<br />
M SBL 1 1 69<br />
M SMT 1 CH2OH<br />
M SBV 1 69 -0.5357 -0.1131<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 64 65<br />
M SBL 2 1 71<br />
M SMT 2 ^OCH3<br />
M SBV 2 71 0.2488 -1.0786<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 66 67<br />
M SBL 3 1 73<br />
M SMT 3 CH2OH<br />
M SBV 3 73 -0.5949 0.0285<br />
M STY 1 4 SUP<br />
M SLB 1 4 4<br />
M SAL 4 2 68 69<br />
M SBL 4 1 75<br />
M SMT 4 ^OCH3<br />
M SBV 4 75 0.8387 0.2948<br />
S SKP 5<br />
ID FL5FAAGA0037<br />
FORMULA C44H50O25<br />
EXACTMASS 978.26411715<br />
AVERAGEMASS 978.8528000000001<br />
SMILES C(C(O1)C(O)C(C(OC(O6)C(O)C(O)C(C(COC(=O)C=Cc(c7)cc(c(O)c7OC)OC)6)OC(O5)C(C(O)C(O)C5CO)O)C1OC(=C2c(c4)ccc(c4)O)C(c(c3O)c(cc(c3)O)O2)=O)O)O<br />
M END<br />
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