Polydatin

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Systematic / IUPAC Name: (2S,3R,4S,5S,6R)-2-[3-Hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

ID: Reference13912

Other Names: Piceid;
AA-4228

Formula: C20H22O8

Class: Endogenous Metabolites

Spectral Data

Polydatin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 2
No. of Spectra 3374
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 5/22/2026 9:45:06 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1
InChI Key HSTZMXCBWJGKHG-CUYWLFDKSA-N
Canonical SMILES
CAS
Splash
Other Names Piceid;
AA-4228

In Other Databases

HMDb HMDB0030564
DrugBank DB11263
ChEBI CHEBI:8198
ChEMBL CHEMBL142652
PubChem 5281718; 5281718
Wikipedia Piceid
KEGG C10275
ChemSpider 4445034
LipidsMAPs LMPK13090012