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Mol:FL5FACGL0064 - Revision history
2026-05-10T10:52:45Z
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Copyright: ARM project http://www.metabolome.jp/<br />
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M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 55 56<br />
M SBL 2 1 60<br />
M SMT 2 CH2OH<br />
M SVB 2 60 0.9746 -3.0017<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 53 54<br />
M SBL 1 1 58<br />
M SMT 1 CH2OH<br />
M SVB 1 58 -1.7097 -0.7463<br />
S SKP 8<br />
ID FL5FACGL0064<br />
KNApSAcK_ID C00005977<br />
NAME Quercetin 3-(2'''-caffeylsophoroside)<br />
CAS_RN 162556-38-9<br />
FORMULA C36H36O20<br />
EXACTMASS 788.179993592<br />
AVERAGEMASS 788.65904<br />
SMILES O[C@H]([C@H](O)4)C(O[C@H]([C@H]4O[C@@H](C(OC(=O)C=Cc(c6)ccc(c6O)O)5)O[C@@H]([C@H](O)C5O)CO)OC(C(=O)1)=C(c(c3)ccc(c(O)3)O)Oc(c2)c(c(cc2O)O)1)CO<br />
M END<br />
</pre></div>
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