Dataset

4-Hydroxy-2',4',6'-trimethoxychalcone (Flavokawain A?)

This MassBank record with Accession MSBNK-BS-BS003765 contains the MS2 mass spectrum of 4-Hydroxy-2',4',6'-trimethoxychalcone (Flavokawain A?) with the InChIkey ZWNLSRDFHQCTQW-RMKNXTFCSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H18O5/c1-21-14-10-16(22-2)18(17(11-14)23-3)15(20)9-6-12-4-7-13(19)8-5-12/h4-11,19H,1-3H3/b9-6+
SMILES COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC=C(C=C2)O)OC
InChI Key ZWNLSRDFHQCTQW-RMKNXTFCSA-N
Molecular Formula C18H18O5
Exact Mass 314.115 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003765
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:33:08.684433
MetadataModified 2024-01-11T12:33:08.871891
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL3120611 ChEMBL
ZINC000004100777 ZINC
5986673 PubChem
4367623 eMolecules
SCHEMBL633183 SureChEMBL
The data in this table is sourced from UniChem at EBI.