Dataset

3',4',7-Trihydroxyisoflavone; LC-ESI-QTOF; MS2; CE:30 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003735 contains the MS2 mass spectrum of 3',4',7-Trihydroxyisoflavone with the InChIkey DDKGKOOLFLYZDL-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H
SMILES C1(=C(C(=C(C(=C1C2=C(OC3=C(C2=O)C(=C(C(=C3[H])O[H])[H])[H])[H])[H])O[H])O[H])[H])[H]
InChI Key DDKGKOOLFLYZDL-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-BS003735
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Maintainer
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MetadataPublished 2017-12-01
Related Molecule
  • 3-(3,4-dihydroxyphenyl)-7-hydroxychromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    LMPK12050055 lipidmaps
    47X rcsb_pdb
    CHEMBL13486 chembl
    29392289 surechembl
    29482679 surechembl
    29482686 surechembl
    73012 surechembl
    5284648 pubchem
    T08Y239E7Y fdasrs
    9985 gtopdb
    PD057176 probes_and_drugs
    225164 brenda
    23230 brenda
    56865 brenda
    57807 brenda
    78348 brenda
    HMDB0041655 hmdb
    50416207 bindingdb
    50428938 bindingdb
    50428945 bindingdb
    50444624 bindingdb
    50494679 bindingdb
    50494687 bindingdb
    50555470 bindingdb
    50803956 bindingdb
    51064032 bindingdb
    Molport-003-850-715 molport
    The data in this table is sourced from UniChem at EBI.