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Mol:FL5FACGL0067 - Revision history
2026-08-10T03:11:42Z
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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 66 67<br />
M SBL 2 1 72<br />
M SMT 2 CH2OH<br />
M SVB 2 72 0.1495 -3.0248<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 64 65<br />
M SBL 1 1 70<br />
M SMT 1 CH2OH<br />
M SVB 1 70 -2.5348 -0.7694<br />
S SKP 8<br />
ID FL5FACGL0067<br />
KNApSAcK_ID C00005986<br />
NAME Quercetin 3-(6''''-caffeylsophorotrioside)<br />
CAS_RN 167638-64-4<br />
FORMULA C42H46O25<br />
EXACTMASS 950.2328170220001<br />
AVERAGEMASS 950.79964<br />
SMILES [C@H]([C@@H](O)4)(O)[C@@H]([C@H](OC(C(=O)5)=C(c(c7)cc(c(c7)O)O)Oc(c6)c5c(O)cc(O)6)OC4CO)O[C@@H](C1O[C@@H](O2)[C@@H]([C@@H]([C@@H](C(COC(=O)C=Cc(c3)cc(O)c(c3)O)2)O)O)O)O[C@@H]([C@@H](C1O)O)CO<br />
M END<br />
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