Dataset

3',4'-Dimethoxy-7-hydroxyflavanone; LC-ESI-QTOF; MS; CE:10 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003581 contains the MS mass spectrum of 3',4'-Dimethoxy-7-hydroxyflavanone with the InChIkey MEDOAKSPIIOKFU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H14O5/c1-20-14-6-3-10(7-17(14)21-2)15-9-13(19)12-5-4-11(18)8-16(12)22-15/h3-9,18H,1-2H3
SMILES COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O)OC
InChI Key MEDOAKSPIIOKFU-UHFFFAOYSA-N
Molecular Formula C17H14O5
Exact Mass 298.084 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-BS003581
Version
Author
Maintainer
Language
MetadataPublished 2017-12-01
Related Molecule
  • 2-(3,4-dimethoxyphenyl)-7-hydroxychromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    J145.243F Nikkaji
    245563 Brenda
    LMPK12110048 LipidMaps
    50049402 BindingDB
    DTXSID50187153 EPA CompTox Dashboard
    CHEMBL345778 ChEMBL
    135677862 PubChem: Thomson Pharma
    33513-36-9 ACToR
    5JN0O0F1KZ FDA SRS
    ZINC000005640361 ZINC
    SCHEMBL4400168 SureChEMBL
    5378518 PubChem
    The data in this table is sourced from UniChem at EBI.