Dataset

3-Hydroxy-3',4'-Dimethoxyflavone

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01402 contains the MS2 mass spectrum of 3-Hydroxy-3',4'-Dimethoxyflavone with the InChIkey BXLAVJWSFYZDPF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H14O5/c1-20-13-8-7-10(9-14(13)21-2)17-16(19)15(18)11-5-3-4-6-12(11)22-17/h3-9,19H,1-2H3
SMILES COC1=C(C=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)O)OC
InChI Key BXLAVJWSFYZDPF-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-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01402
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:25:01.981019
MetadataModified 2024-01-11T22:25:02.151230
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MOPJIM CCDC
DTXSID20218968 EPA CompTox Dashboard
ZINC000000039299 ZINC
MCULE-1160192481 Mcule
J1.415.485J Nikkaji
97143 PubChem
CB32604548 ChemicalBook
9B35R9JIHA FDA SRS
6889-80-1 ACToR
SCHEMBL4285872 SureChEMBL
56398349 PubChem: Thomson Pharma
CHEMBL77098 ChEMBL
735902 eMolecules
The data in this table is sourced from UniChem at EBI.