Dataset

Wogonin

This MassBank record with Accession MSBNK-RIKEN-PR307454 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-PR307454
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:39:50.757231
MetadataModified 2024-01-11T20:39:50.908358
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
2736681 eMolecules
HURCAY CCDC
J12.474E Nikkaji
POK93PO28W FDA SRS
60026546 NMRShiftDB
PD011960 ProbesDrugs
5281703 PubChem
SCHEMBL139083 SureChEMBL
14848873 PubChem: Thomson Pharma
632-85-9 ACToR
LMPK12111330 LipidMaps
ZINC000000899093 ZINC
DTXSID70212557 EPA CompTox Dashboard
MCULE-9854289767 Mcule
HY-N0400 MedChemExpress
WOGONIN rxnorm
236289 Brenda
50140257 BindingDB
78742 Brenda
MTBLC10043 Metabolights
CB6408918 ChemicalBook
7623 Brenda
The data in this table is sourced from UniChem at EBI.