Ketcher 10071623062D 1   1.00000     0.00000     0

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  7  9  2  0     0  0
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 30 31  1  0     0  0
M  END
> <ID>
CHEBI:16778

> <NAME>
apigenin 7-O-beta-D-glucoside

> <DEFINITION>
A glycosyloxyflavone that is apigenin substituted by a β-D-glucopyranosyl moiety at position 7 via a glycosidic linkage.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12252; CHEBI:2282; CHEBI:20780

> <SYNONYM>
Cosmosioside; Cosmosiin; Cosmetin; Apigetrin; Apigenin 7-O-glucoside; apigenin 7-O-beta-D-glucoside; 7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone; 7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone; 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside

> <IUPAC_NAME>
5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside

> <FORMULA>
C21H20O10

> <MASS>
432.378

> <MONOISOTOPIC_MASS>
432.10565

> <CHARGE>
0

> <SMILES>
C1=2C(C(C=C(O1)C=3C=CC(O)=CC3)=O)=C(C=C(C2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O

> <INCHI>
InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18-,19+,20-,21-/m1/s1

> <INCHIKEY>
KMOUJOKENFFTPU-QNDFHXLGSA-N

> <CAS_REGISTRY_NUMBER>
578-74-5

> <REAXYS_REGISTRY_NUMBER>
65669

> <CHEMIDPLUS>
578-74-5

> <KEGG_COMPOUND_ACCESSION>
C04608

> <KNAPSACK_ACCESSION>
C00001017

> <LINCS_ACCESSION>
LSM-2286

> <METACYC_ACCESSION>
APIGENIN-7-O-BETA-D-GLUCOSIDE

> <WIKIPEDIA_ACCESSION>
Apigetrin

> <PUBMED_CITATION>
17186490; 19112896; 21656359; 21756194

$$$$