Dataset

3-Hydroxy-3',4',5'-trimethoxyflavone

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01851 contains the MS2 mass spectrum of 3-Hydroxy-3',4',5'-trimethoxyflavone with the InChIkey MWFLTXAQDCOKEK-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H16O6/c1-21-13-8-10(9-14(22-2)18(13)23-3)17-16(20)15(19)11-6-4-5-7-12(11)24-17/h4-9,20H,1-3H3
SMILES COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=CC=CC=C3O2)O
InChI Key MWFLTXAQDCOKEK-UHFFFAOYSA-N
Molecular Formula C18H16O6
Exact Mass 328.095 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-BML01851
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:27:56.479560
MetadataModified 2024-01-11T22:27:56.644243
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-6339354365 Mcule
ZINC000000057874 ZINC
J2.661.790A Nikkaji
HMDB0246112 Human Metabolome Database
SCHEMBL4649257 SureChEMBL
81056256 PubChem: Thomson Pharma
688827 PubChem
CHEMBL1999102 ChEMBL
4368558 eMolecules
The data in this table is sourced from UniChem at EBI.