Dataset

6,7,4'-Trihydroxyisoflavone; LC-ESI-QTOF; MS; CE:10 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003283 contains the MS mass spectrum of 6,7,4'-Trihydroxyisoflavone with the InChIkey GYLUFQJZYAJQDI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,16-18H
SMILES C1(=C(C(=C(C(=C1C2=C(OC3=C(C(=C(C(=C3C2=O)[H])O[H])O[H])[H])[H])[H])[H])O[H])[H])[H]
InChI Key GYLUFQJZYAJQDI-UHFFFAOYSA-N
Molecular Formula C15H10O5
Exact Mass 270.053 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-BS003283
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MetadataPublished 2017-12-01
Related Molecule
  • 6,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    74957 ChEBI
    5284649 PubChem
    PD125203 ProbesDrugs
    15269563 PubChem: Thomson Pharma
    SCHEMBL73999 SureChEMBL
    17817-31-1 ACToR
    221746 Brenda
    674 PDBe
    532756 eMolecules
    CB8397160 ChemicalBook
    HMDB0031715 Human Metabolome Database
    25428 Brenda
    16773 Brenda
    MTBLC74957 Metabolights
    62440 Brenda
    PLM2K574GE FDA SRS
    CHEMBL239156 ChEMBL
    C14314 KEGG Ligand
    DTXSID8022452 EPA CompTox Dashboard
    HY-N5072 MedChemExpress
    50222303 BindingDB
    J254.133E Nikkaji
    ZINC000000391977 ZINC
    LMPK12050102 LipidMaps
    The data in this table is sourced from UniChem at EBI.