Dataset

4',5,7-trihydroxyisoflavone, 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone, Genisterin, Genisteol, Gens, 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Genistein, Sophoricol; LC-ESI-QQ; MS2

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS040001 contains the MS2 mass spectrum of 4',5,7-trihydroxyisoflavone, 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone, Genisterin, Genisteol, Gens, 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Genistein, Sophoricol with the InChIkey TZBJGXHYKVUXJN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
SMILES C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O
InChI Key TZBJGXHYKVUXJN-UHFFFAOYSA-N
Molecular Formula C15H10O5
Exact Mass 270.240 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-PS040001
Version
Author
Maintainer
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MetadataPublished 2009-02-09
Related Molecule
  • 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01645 drugbank
    CHEBI:28088 chebi
    LMPK12050218 lipidmaps
    GEN rcsb_pdb
    CHEMBL44 chembl
    19166 surechembl
    29352944 surechembl
    5280961 pubchem
    DH2M523P0H fdasrs
    GEN pdbe
    2826 gtopdb
    PD002146 probes_and_drugs
    GENIST CCDC
    164054 brenda
    182914 brenda
    182915 brenda
    182916 brenda
    182917 brenda
    182918 brenda
    229472 brenda
    229473 brenda
    27105 brenda
    377 brenda
    43512 brenda
    56864 brenda
    HMDB0003217 hmdb
    Molport-000-003-911 molport
    19459 bindingdb
    The data in this table is sourced from UniChem at EBI.