LIPID MAPS

Structure Database (LMSD)

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Common Name

Kaempferol 5-glucoside

Systematic Name

2-(4-Hydroxyphenyl)-3,7-dihydroxy-5- (β-D-glucopyranosyloxy)-4H-1-benzopyran-4-one

Synonyms

3,4',5,7-tetrahydroxyflavone 5-glucoside

LM ID

LMPK12111845

Formula

C₂₁H₂₀O₁₁

Exact Mass

Calculate m/z

448.100565

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

View NP-MRD ID(NMR) spectrum

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Viridiplantae (#33090)

Flavonoid imported from http://metabolomics.jp/

Cotula (#99043)

Magnoliopsida (#3398)

Flavone and flavonol 5-glucosides,
Phytochemistry, 1971

DOI: 10.1016/S0031-9422(00)84335-6

String Representations

InChiKey (Click to copy)

ZSDLSQASILNAAH-HMGRVEAOSA-N

InChi (Click to copy)

InChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)31-12-6-10(24)5-11-14(12)16(26)18(28)20(30-11)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1

SMILES (Click to copy)

C1(O)=CC2OC(C3C=CC(O)=CC=3)=C(O)C(=O)C=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C1

Other Databases

CHEBI ID

75802

METABOLOMICS ID

FL5FAAGS0008

PubChem CID

72551448

Calculated Physicochemical Properties

Heavy Atoms 32

Rings 4

Aromatic Rings 3

Rotatable Bonds 4

Van der Waals Molecular Volume 365.29

Topological Polar Surface Area 192.35

Hydrogen Bond Donors 7

Hydrogen Bond Acceptors 11

logP 2.37

Molar Refractivity 110.47

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Created at

Updated at

10th Jul 2026