Dataset

Biochanin A; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00747 contains the MS2 mass spectrum of Biochanin A with the InChIkey WUADCCWRTIWANL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3
SMILES COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O
InChI Key WUADCCWRTIWANL-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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00747
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000018847037 ZINC
    105595 Brenda
    MTBLC17574 Metabolights
    HMDB0002338 Human Metabolome Database
    CB8474490 ChemicalBook
    MCULE-6764919720 Mcule
    481798 eMolecules
    5280373 PubChem
    60022417 NMRShiftDB
    PD001613 ProbesDrugs
    U13J6U390T FDA SRS
    14799798 PubChem: Thomson Pharma
    SCHEMBL61258 SureChEMBL
    Biochanin-A(4-Methylgenistein) Selleck
    491-80-5 ACToR
    J11.761G Nikkaji
    DTXSID1022394 EPA CompTox Dashboard
    IHAHIL CCDC
    LMPK12050229 LipidMaps
    HY-14595 MedChemExpress
    9461 BindingDB
    1435 Brenda
    DB15334 DrugBank
    C00814 KEGG Ligand
    49684192 PubChem: Drugs of the Future
    CHEMBL131921 ChEMBL
    QSO PDBe
    17574 ChEBI
    2829 Guide to Pharmacology
    The data in this table is sourced from UniChem at EBI.