Dataset

2',3,3',4,4'-Pentahydroxy-4'-glucosylchalcone, Marein, Okan-4p-Glc, okanin-4'-O-glucoside; LC-ESI-QQ; MS2

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS085502 contains the MS2 mass spectrum of 2',3,3',4,4'-Pentahydroxy-4'-glucosylchalcone, Marein, Okan-4p-Glc, okanin-4'-O-glucoside with the InChIkey XGEYXJDOVMEJNG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H22O11/c22-8-15-18(28)19(29)20(30)21(32-15)31-14-6-3-10(16(26)17(14)27)11(23)4-1-9-2-5-12(24)13(25)7-9/h1-7,15,18-22,24-30H,8H2
SMILES C1=CC(=C(C=C1C=CC(=O)C2=C(C(=C(C=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O
InChI Key XGEYXJDOVMEJNG-UHFFFAOYSA-N
Molecular Formula C21H22O11
Exact Mass 450.396 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS085502
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MetadataPublished 2009-02-09
Related Molecule
  • 3-(3,4-dihydroxyphenyl)-1-[2,3-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    53442196 PubChem
    PD156362 ProbesDrugs
    HMDB0254334 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.