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Mol:FL5FACGL0020 - Revision history
2026-05-17T02:47:36Z
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Copyright: ARM project http://www.metabolome.jp/<br />
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1 22 1 0 0 0 0<br />
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28 23 1 0 0 0 0<br />
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54 55 1 0 0 0 0<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 54 55<br />
M SBL 3 1 59<br />
M SMT 3 CH2OH<br />
M SVB 3 59 1.3332 -3.0565<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 52 53<br />
M SBL 2 1 57<br />
M SMT 2 CH2OH<br />
M SVB 2 57 -1.5545 -0.9987<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 50 51<br />
M SBL 1 1 55<br />
M SMT 1 CH2OH<br />
M SVB 1 55 3.2509 -0.5754<br />
S SKP 8<br />
ID FL5FACGL0020<br />
KNApSAcK_ID C00005446<br />
NAME Quercetin 3-sophorotrioside<br />
CAS_RN 38681-85-5<br />
FORMULA C33H40O22<br />
EXACTMASS 788.201122964<br />
AVERAGEMASS 788.6575<br />
SMILES [C@@H](O)([C@H]5CO)C(C(O[C@@H](O6)[C@H](O)[C@H](O)[C@H](O)C6CO)[C@@H](O5)O[C@@H]([C@@H](O)4)[C@@H](OC([C@@H]4O)CO)OC(=C(c(c3)ccc(O)c3O)1)C(=O)c(c2O)c(cc(O)c2)O1)O<br />
M END<br />
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