Dataset

Wogonin

This MassBank record with Accession MSBNK-RIKEN-PR307445 contains the MS2 mass spectrum of Wogonin with the InChIkey XLTFNNCXVBYBSX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3
SMILES COC1=C(O)C=C(O)C2=C1OC(=CC2=O)C1=CC=CC=C1
InChI Key XLTFNNCXVBYBSX-UHFFFAOYSA-N
Molecular Formula C16H12O5
Exact Mass 284.267 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-RIKEN-PR307445
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:40:41.579768
MetadataModified 2025-02-09T18:30:31.280511
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C10197 KEGG Ligand
CHEMBL16171 ChEMBL
10043 ChEBI
LMPK12111330 LipidMaps
DTXSID70212557 EPA CompTox Dashboard
MCULE-9854289767 Mcule
236289 Brenda
HY-N0400 MedChemExpress
WOGONIN rxnorm
HURCAY CCDC
J12.474E Nikkaji
50140257 BindingDB
POK93PO28W FDA SRS
CB6408918 ChemicalBook
ZINC000000899093 ZINC
MTBLC10043 Metabolights
7623 Brenda
78742 Brenda
60026546 NMRShiftDB
PD011960 ProbesDrugs
5281703 PubChem
SCHEMBL139083 SureChEMBL
14848873 PubChem: Thomson Pharma
632-85-9 ACToR
2736681 eMolecules
The data in this table is sourced from UniChem at EBI.