Dataset

7-Methoxyisoflavone

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00837 contains the MS2 mass spectrum of 7-Methoxyisoflavone with the InChIkey IECSQLKWZBEUGA-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H12O3/c1-18-12-7-8-13-15(9-12)19-10-14(16(13)17)11-5-3-2-4-6-11/h2-10H,1H3
SMILES COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3
InChI Key IECSQLKWZBEUGA-UHFFFAOYSA-N
Molecular Formula C16H12O3
Exact Mass 252.079 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-BML00837
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:25:08.645450
MetadataModified 2024-01-11T22:25:08.806135
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C15616 KEGG Ligand
CHEMBL563919 ChEMBL
12257 ChEBI
1098200 eMolecules
638006 PubChem
138515 Brenda
CB3112254 ChemicalBook
DTXSID00348530 EPA CompTox Dashboard
HY-N6631 MedChemExpress
ZINC000000046554 ZINC
SCHEMBL762092 SureChEMBL
J46.313B Nikkaji
MCULE-8964848450 Mcule
10016213 NMRShiftDB
16314189 PubChem: Thomson Pharma
PD078612 ProbesDrugs
The data in this table is sourced from UniChem at EBI.