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Mol:FL3FACGS0085 - Revision history
2026-08-19T02:44:42Z
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Copyright: ARM project http://www.metabolome.jp/<br />
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66 68 1 0 0 0 0<br />
36 66 1 0 0 0 0<br />
69 70 1 0 0 0 0<br />
55 69 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 3 60 61 62<br />
M SBL 1 1 68<br />
M SMT 1 ^ COOH<br />
M SBV 1 68 0.8473 0.0000<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 3 63 64 65<br />
M SBL 2 1 71<br />
M SMT 2 COOH<br />
M SBV 2 71 -0.6008 0.8066<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 3 66 67 68<br />
M SBL 3 1 74<br />
M SMT 3 ^ COOH<br />
M SBV 3 74 0.3627 -0.6282<br />
M STY 1 4 SUP<br />
M SLB 1 4 4<br />
M SAL 4 2 69 70<br />
M SBL 4 1 76<br />
M SMT 4 OCH3<br />
M SBV 4 76 -0.3280 0.5682<br />
S SKP 5<br />
ID FL3FACGS0085<br />
FORMULA C43H42O27<br />
EXACTMASS 990.191346138<br />
AVERAGEMASS 990.77738<br />
SMILES c(c7)(c(O)cc(c7)C(=C6)Oc(c(C6=O)2)cc(OC(C3OC(O5)C(C(C(O)C5C(O)=O)O)OC(C=Cc(c4)cc(OC)c(c4)O)=O)OC(C(C3O)O)C(O)=O)cc2O)OC(O1)C(C(C(O)C1C(O)=O)O)O<br />
M END<br />
</pre></div>
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