Dataset

4-Deoxyphloridzin; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR305849 contains the MS2 mass spectrum of 4-Deoxyphloridzin with the InChIkey NLGUKXQDDTZCDG-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H24O9/c22-10-16-18(26)19(27)20(28)21(30-16)29-15-9-12(23)8-14(25)17(15)13(24)7-6-11-4-2-1-3-5-11/h1-5,8-9,16,18-23,25-28H,6-7,10H2
SMILES OCC1OC(OC2=CC(O)=CC(O)=C2C(=O)CCC2=CC=CC=C2)C(O)C(O)C1O
InChI Key NLGUKXQDDTZCDG-UHFFFAOYSA-N
Molecular Formula C21H24O9
Exact Mass 420.414 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR305849
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MetadataPublished 2019-03-28
Related Molecule
  • 1-[2,4-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-phenylpropan-1-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    172661 ChEBI
    HMDB0037483 Human Metabolome Database
    5080434 PubChem
    The data in this table is sourced from UniChem at EBI.