Structure Database (LMSD)

Common Name
Apigenin 7-O-glucoside
Systematic Name
7-(β-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Synonyms
  • Apigetrin
  • Cosmetin
  • Cosmosiin
  • Cosmosioside
  • 4',5,7-Trihydroxyflavone 7-glucoside
LM ID
LMPK12110336
Formula
C21H20O10
Exact Mass
Calculate m/z
432.10565
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/
Haplomitrium gibbsiae (#139938)
Haplomitriopsida (#402711)
Flavonoids and phylogeny of the ‘primitive’ New Zealand hepatic, Haplomitrium gibbsiae,
Phytochemistry, 1977

String Representations

InChiKey (Click to copy)
KMOUJOKENFFTPU-QNDFHXLGSA-N
InChi (Click to copy)
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
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1

Other Databases

Wikipedia
Apigenin_7-O-glucoside
KEGG ID
C04608
HMDB ID
HMDB0037340
CHEBI ID
16778
METABOLOMICS ID
FL3FAAGS0001
PubChem CID
5280704
PDB ID
A1EGT

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 356.50
Topological Polar Surface Area 172.12
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 10
logP 2.67
Molar Refractivity 108.80

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Created at
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Updated at
25th Jun 2025