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
5378518 PubChem
135677862 PubChem: Thomson Pharma
33513-36-9 ACToR
5JN0O0F1KZ FDA SRS
DTXSID50187153 EPA CompTox Dashboard
ZINC000005640361 ZINC
LMPK12110048 LipidMaps
245563 Brenda
MolPort-047-110-216 MolPort
50049402 BindingDB
SCHEMBL4400168 SureChEMBL
J145.243F Nikkaji
The data in this table is sourced from UniChem at EBI.