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M  END
> <ID>
CHEBI:2981

> <NAME>
baicalin

> <DEFINITION>
The glycosyloxyflavone which is the 7-O-glucuronide of baicalein. It is an active ingredient of Chinese herbal medicine Scutellaria baicalensis.

> <STAR>
3

> <SYNONYM>
Baicalin; baicalein 7-O-glucuronide; baicalein 7-glucuronide; 7-D-glucuronic acid-5,6-dihydroxyflavone; 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid; 5,6,7-trihydroxyflavone 7-O-beta-D-glucuronide

> <IUPAC_NAME>
5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid

> <FORMULA>
C21H18O11

> <MASS>
446.364

> <MONOISOTOPIC_MASS>
446.08491

> <CHARGE>
0

> <SMILES>
O[C@@H]1[C@@H](O)[C@H](OC2=CC3=C(C(=O)C=C(O3)C3=CC=CC=C3)C(O)=C2O)O[C@@H]([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

> <INCHIKEY>
IKIIZLYTISPENI-ZFORQUDYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
70480

> <CAS_REGISTRY_NUMBER>
21967-41-9

> <REAXYS_REGISTRY_NUMBER>
70480

> <CHEMIDPLUS>
21967-41-9

> <KEGG_COMPOUND_ACCESSION>
C10025

> <KNAPSACK_ACCESSION>
C00001024

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12111081

> <METACYC_ACCESSION>
CPD-12725

> <PDBECHEM_ACCESSION>
0XE

> <WIKIPEDIA_ACCESSION>
Baicalin

> <PUBMED_CENTRAL_CITATION>
PMC8165801

> <PUBMED_CITATION>
10724177; 18650094; 21087019; 22467027; 23142347; 23302221; 23354080; 23523628; 25847243; 32707128; 32795339; 33008383; 33224035; 33269624; 33352232; 33493657; 33595821; 33652818; 33732310; 33781030; 33801847; 33815110; 33891262; 33921971; 33923637; 33935719; 33955315; 33992597; 34029124; 34044073; 34053448

$$$$