Dataset

3,7-Dihydroxy-3',4'-dimethoxyflavone

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01688 contains the MS2 mass spectrum of 3,7-Dihydroxy-3',4'-dimethoxyflavone with the InChIkey LTSJJOKAWSCMBC-UHFFFAOYSA-N.

Chemical Info

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-BML01688
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:28:27.811960
MetadataModified 2024-01-11T22:28:27.986509
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL575072 ChEMBL
4368393 eMolecules
50420213 BindingDB
MCULE-5583152427 Mcule
ZINC000002566087 ZINC
J1.426.054D Nikkaji
5378832 PubChem
15794893 PubChem: Thomson Pharma
SCHEMBL4650613 SureChEMBL
The data in this table is sourced from UniChem at EBI.