Dataset

3',4'-Dimethoxy-7-hydroxyflavanone

This MassBank record with Accession MSBNK-BS-BS003583 contains the MS2 mass spectrum of 3',4'-Dimethoxy-7-hydroxyflavanone with the InChIkey MEDOAKSPIIOKFU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H14O5/c1-20-14-6-3-10(7-17(14)21-2)15-9-13(19)12-5-4-11(18)8-16(12)22-15/h3-9,18H,1-2H3
SMILES COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O)OC
InChI Key MEDOAKSPIIOKFU-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-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003583
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:35:45.289826
MetadataModified 2024-01-11T12:35:45.442314
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL345778 ChEMBL
33513-36-9 ACToR
135677862 PubChem: Thomson Pharma
SCHEMBL4400168 SureChEMBL
5378518 PubChem
J145.243F Nikkaji
LMPK12110048 LipidMaps
ZINC000005640361 ZINC
50049402 BindingDB
245563 Brenda
DTXSID50187153 EPA CompTox Dashboard
5JN0O0F1KZ FDA SRS
The data in this table is sourced from UniChem at EBI.