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Mol:FL5FACGL0033 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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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 0.9622 -2.4657<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 -3.8456 1.4076<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 4.569 -0.1241<br />
S SKP 8<br />
ID FL5FACGL0033<br />
KNApSAcK_ID C00005464<br />
NAME Quercetin 3-sophoroside-7-glucoside;2-(3,4-Dihydroxyphenyl)-3-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one<br />
CAS_RN 42903-93-5<br />
FORMULA C33H40O22<br />
EXACTMASS 788.201122964<br />
AVERAGEMASS 788.6575<br />
SMILES c(c6)(cc(c(c6)O)O)C(O3)=C(C(=O)c(c(O)4)c3cc(O[C@@H]([C@@H](O)5)OC(CO)[C@H](O)[C@@H]5O)c4)O[C@H](O2)C(C([C@@H](O)[C@H]2CO)O)O[C@H]([C@@H]1O)OC(CO)[C@H]([C@H]1O)O<br />
M END<br />
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