Dataset

3,7-Dihydroxy-3',4'-dimethoxyflavone; LC-ESI-QTOF; MS; NEGATIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80346 contains the MS mass spectrum of 3,7-Dihydroxy-3',4'-dimethoxyflavone with the InChIkey LTSJJOKAWSCMBC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H14O6/c1-21-12-6-3-9(7-14(12)22-2)17-16(20)15(19)11-5-4-10(18)8-13(11)23-17/h3-8,18,20H,1-2H3
SMILES COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3)O)O)OC
InChI Key LTSJJOKAWSCMBC-UHFFFAOYSA-N
Molecular Formula C17H14O6
Exact Mass 314.079 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-BML80346
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2-(3,4-dimethoxyphenyl)-3,7-dihydroxychromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL575072 ChEMBL
    50420213 BindingDB
    J1.426.054D Nikkaji
    MCULE-5583152427 Mcule
    ZINC000002566087 ZINC
    5378832 PubChem
    15794893 PubChem: Thomson Pharma
    SCHEMBL4650613 SureChEMBL
    4368393 eMolecules
    The data in this table is sourced from UniChem at EBI.