Dataset

3',4'-Dimethoxy-3-hydroxy-6-methylflavone; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80330 contains the MS mass spectrum of 3',4'-Dimethoxy-3-hydroxy-6-methylflavone with the InChIkey SMDGCFJQVYCATD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H16O5/c1-10-4-6-13-12(8-10)16(19)17(20)18(23-13)11-5-7-14(21-2)15(9-11)22-3/h4-9,20H,1-3H3
SMILES CC1=CC2=C(C=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)OC)OC
InChI Key SMDGCFJQVYCATD-UHFFFAOYSA-N
Molecular Formula C18H16O5
Exact Mass 312.100 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-BML80330
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2-(3,4-dimethoxyphenyl)-3-hydroxy-6-methylchromen-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID10350982 EPA CompTox Dashboard
    ZINC000000057892 ZINC
    CHEMBL243250 ChEMBL
    5417312 eMolecules
    688844 PubChem
    SCHEMBL5138212 SureChEMBL
    MCULE-9299370474 Mcule
    The data in this table is sourced from UniChem at EBI.