Dataset

5,4'-Dihydroxy-7-methoxyflavone (Genkwanin, 7-methoxyapigenin); LC-ESI-QTOF; MS

This MassBank record with Accession MSBNK-BS-BS003747 contains the MS mass spectrum of 5,4'-Dihydroxy-7-methoxyflavone (Genkwanin, 7-methoxyapigenin) with the InChIkey JPMYFOBNRRGFNO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H12O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
SMILES C(OC1=C(C(=C2C(=C1[H])OC(=C(C2=O)[H])C3=C(C(=C(C(=C3[H])[H])O[H])[H])[H])O[H])[H])([H])([H])[H]
InChI Key JPMYFOBNRRGFNO-UHFFFAOYSA-N
Molecular Formula C16H12O5
Exact Mass 284.068 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-BS-BS003747
Version
Author
Maintainer
Language
MetadataPublished 2017-12-01
Related Molecule
  • 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C10046 KEGG Ligand
    CHEMBL210635 ChEMBL
    NORSUL CCDC
    HMDB0252684 Human Metabolome Database
    LMPK12111018 LipidMaps
    DTXSID80195908 EPA CompTox Dashboard
    MCULE-4718928065 Mcule
    HY-N0731 MedChemExpress
    232571 Brenda
    13401 Brenda
    84089 Brenda
    51466 Brenda
    50187658 BindingDB
    J61.256A Nikkaji
    60019854 NMRShiftDB
    14948337 PubChem: Thomson Pharma
    437-64-9 ACToR
    PD086891 ProbesDrugs
    5281617 PubChem
    890555 eMolecules
    CB7732333 ChemicalBook
    ZINC000005732375 ZINC
    MTBLC75718 Metabolights
    75718 ChEBI
    5K3I5D6B2B FDA SRS
    SCHEMBL866123 SureChEMBL
    The data in this table is sourced from UniChem at EBI.