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Mol:FL5FACGL0035 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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25 53 1 0 0 0 0<br />
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35 55 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 3 50 51 52<br />
M SBL 1 1 57<br />
M SMT 1 ^ COOH<br />
M SBV 1 57 0.6905 -0.6905<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 53 54<br />
M SBL 2 1 59<br />
M SMT 2 ^ CH2OH<br />
M SBV 2 59 0.0183 0.6740<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 55 56<br />
M SBL 3 1 61<br />
M SMT 3 CH2OH<br />
M SBV 3 61 -0.6458 -0.2653<br />
S SKP 5<br />
ID FL5FACGL0035<br />
FORMULA C33H38O23<br />
EXACTMASS 802.180387522<br />
AVERAGEMASS 802.64102<br />
SMILES c(c6O)cc(cc6O)C(O1)=C(OC(O5)C(C(C(O)C5CO)O)OC(C4O)OC(CO)C(C4O)O)C(=O)c(c(O)2)c1cc(OC(C3O)OC(C(O)=O)C(O)C(O)3)c2<br />
M END<br />
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