Structure Database (LMSD)

Common Name
Guaijaverin
Systematic Name
3-(α-L-Arabinopyranosyloxy)-3?,4?,5,7-tetrahydroxyflavone
Synonyms
  • Quercetin 3-arabinoside
LM ID
LMPK12112168
Formula
C20H18O11
Exact Mass
Calculate m/z
434.084915
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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/
Psidium guajava (#120290)
Magnoliopsida (#3398)
No citation found

String Representations

InChiKey (Click to copy)
PZZRDJXEMZMZFD-IEGSVRCHSA-N
InChi (Click to copy)
InChI=1S/C20H18O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15,17,20-26,28H,6H2/t12-,15-,17+,20-/m0/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)CO3)C(=O)C=2C(O)=C1

Other Databases

Wikipedia
Guaijaverin
METABOLOMICS ID
FL5FACGS0002
PubChem CID
5481224
PDB ID
A1EGX

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 347.99
Topological Polar Surface Area 192.35
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 11
logP 2.43
Molar Refractivity 105.61

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Created at
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Updated at
25th Jun 2025