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
Version
Author
Maintainer
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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
    CHEBI:74957 chebi
    LMPK12050102 lipidmaps
    674 rcsb_pdb
    CHEMBL239156 chembl
    29772934 surechembl
    73999 surechembl
    5284649 pubchem
    PLM2K574GE fdasrs
    PD125203 probes_and_drugs
    16773 brenda
    221746 brenda
    25428 brenda
    62440 brenda
    HMDB0031715 hmdb
    294444 bindingdb
    294456 bindingdb
    50145051 bindingdb
    50400198 bindingdb
    50400275 bindingdb
    50428939 bindingdb
    50428946 bindingdb
    50555471 bindingdb
    51167187 bindingdb
    Molport-003-939-712 molport
    The data in this table is sourced from UniChem at EBI.