Dataset

Arylbenzofuran flavonoid base + 3O, 1MeO, 1Prenyl

This MassBank record with Accession MSBNK-RIKEN-PR309050 contains the MS2 mass spectrum of Arylbenzofuran flavonoid base + 3O, 1MeO, 1Prenyl with the InChIkey CNPMAFLUEHEXRE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H20O5/c1-11(2)4-6-14-17(23)10-19-15(20(14)24-3)9-18(25-19)13-7-5-12(21)8-16(13)22/h4-5,7-10,21-23H,6H2,1-3H3
SMILES OC=1C=CC(=C(O)C=1)C=2OC=3C=C(O)C(=C(OC)C=3(C=2))CC=C(C)C
InChI Key CNPMAFLUEHEXRE-UHFFFAOYSA-N
Molecular Formula C20H20O5
Exact Mass 340.375 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-PR309050
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MetadataPublished 2019-03-28
Related Molecule
  • 4-[6-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)-1-benzofuran-2-yl]benzene-1,3-diol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    MTBLC69098 Metabolights
    HMDB0038755 Human Metabolome Database
    77991 Brenda
    ZINC000003648307 ZINC
    SCHEMBL758659 SureChEMBL
    69098 ChEBI
    15249607 PubChem: Thomson Pharma
    60026587 NMRShiftDB
    503731 PubChem
    CHEMBL611368 ChEMBL
    LMPK12160045 LipidMaps
    50325939 BindingDB
    J253.508D Nikkaji
    The data in this table is sourced from UniChem at EBI.