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Mol:FL3FACGS0049 - Revision history
2026-04-17T11:32:12Z
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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 3 49 50 51<br />
M SBL 1 1 56<br />
M SMT 1 COOH<br />
M SBV 1 56 -0.6750 0.5838<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 52 53<br />
M SBL 2 1 58<br />
M SMT 2 ^ CH2OH<br />
M SBV 2 58 0.2070 -1.0037<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 3 54 55 56<br />
M SBL 3 1 61<br />
M SMT 3 ^ COOH<br />
M SBV 3 61 0.1486 -0.9819<br />
S SKP 5<br />
ID FL3FACGS0049<br />
FORMULA C33H36O23<br />
EXACTMASS 800.164737458<br />
AVERAGEMASS 800.62514<br />
SMILES O(C(O6)C(O)C(C(O)C6C(O)=O)O)c(c5)cc(c(c51)C(C=C(c(c3)ccc(c(OC(O4)C(C(O)C(C4CO)O)O)3)OC(C2O)OC(C(O)=O)C(C(O)2)O)O1)=O)O<br />
M END<br />
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