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Glycitin

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CAT	APS40246104
CAS	40246-10-4
Structure
MDL Number	MFCD00800711
Synonyms	Glycitein-7-β-O-glucoside, Glycitein 7-O-β-glucoside,7-(β-D-Glucopyranosyloxy)-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one, Glycitin, Glycitein 7-O-glucoside
IUPAC Name	3-(4-hydroxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular Weight	446.40
Molecular Formula	C22H22O10
Canonical SMILES	COc1cc2C(=O)C(=COc2cc1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c4ccc(O)cc4
InChI	InChI=1S/C22H22O10/c1-29-15-6-12-14(30-9-13(18(12)25)10-2-4-11(24)5-3-10)7-16(15)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1

Accurate Mass	446.1213
Format	Neat

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