LIPID MAPS

Structure Database (LMSD)

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Common Name

Gossypetin

Systematic Name

3,5,7,8,3',4'-Hexahydroxyflavone 8-glucuronide

Synonyms

[2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-1-benzopyran-8-yl] beta-D-glucopyranosiduronic acid

LM ID

LMPK12113199

Formula

C₂₁H₁₈O₁₄

Exact Mass

Calculate m/z

494.06966

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

View NP-MRD ID(NMR) spectrum

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Viridiplantae (#33090)

Flavonoid imported from http://metabolomics.jp/

Hibiscus vitifolius (#1663613)

Magnoliopsida (#3398)

Flavonol glycosides from Sedum album,
Phytochemistry, 1989

DOI: 10.1016/S0031-9422(00)97941-X

String Representations

InChiKey (Click to copy)

KHVMAMXQPVHXTJ-ORYXKJSJSA-N

InChi (Click to copy)

InChI=1S/C21H18O14/c22-6-2-1-5(3-7(6)23)16-13(28)11(26)10-8(24)4-9(25)17(18(10)33-16)34-21-15(30)12(27)14(29)19(35-21)20(31)32/h1-4,12,14-15,19,21-25,27-30H,(H,31,32)/t12-,14-,15+,19-,21+/m0/s1

SMILES (Click to copy)

C1(O)=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O2)C2OC(C3C=C(O)C(O)=CC=3)=C(O)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID

FL5FFCGS0006

PubChem CID

5490334

Calculated Physicochemical Properties

Heavy Atoms 35

Rings 4

Aromatic Rings 3

Rotatable Bonds 4

Van der Waals Molecular Volume 389.02

Topological Polar Surface Area 249.88

Hydrogen Bond Donors 9

Hydrogen Bond Acceptors 14

logP 1.59

Molar Refractivity 113.86

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Updated at

12th Jun 2026