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Baicalin

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CAT	APS21967419
CAS	21967-41-9
Structure
Synonyms	Baicalin (6CI,7CI,8CI), Baicalein 7-O-β-D-glucuronide, Baicalein 7-O-glucuronide,β-D-Glucopyranosiduronic acid, 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl, Baicalein 7-glucuronide
IUPAC Name	(2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular Weight	446.36
Molecular Formula	C21H18O11
Canonical SMILES	O[C@H]1[C@H](Oc2cc3OC(=CC(=O)c3c(O)c2O)c4ccccc4)O[C@@H]([C@@H](O)[C@@H]1O)C(=O)O
InChI	InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1

Accurate Mass	446.0849
Format	Neat

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