Dataset

Flavone base + 4O, 2Prenyl; LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR310764 contains the MS2 mass spectrum of Flavone base + 4O, 2Prenyl with the InChIkey QNLGNISMYMFVHP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C25H26O6/c1-13(2)5-7-15-9-16(10-20(27)23(15)28)18-12-31-21-11-19(26)17(8-6-14(3)4)24(29)22(21)25(18)30/h5-6,9-12,26-29H,7-8H2,1-4H3
SMILES O=C1C(=COC=2C=C(O)C(=C(O)C1=2)CC=C(C)C)C3=CC(O)=C(O)C(=C3)CC=C(C)C
InChI Key QNLGNISMYMFVHP-UHFFFAOYSA-N
Molecular Formula C25H26O6
Exact Mass 422.477 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-PR310764
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MetadataPublished 2019-03-28
Related Molecule
  • 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    50172093 BindingDB
    CB32681288 ChemicalBook
    CHEMBL3809403 ChEMBL
    ZINC000014727602 ZINC
    HMDB0038905 Human Metabolome Database
    J1.332.249J Nikkaji
    175387 ChEBI
    LMPK12050243 LipidMaps
    27711 Brenda
    21591148 PubChem
    99349021 PubChem: Thomson Pharma
    60046561 NMRShiftDB
    The data in this table is sourced from UniChem at EBI.