Dataset

5,4'-Dihydroxy-7-methoxyflavone (Genkwanin, 7-methoxyapigenin)

This MassBank record with Accession MSBNK-BS-BS003748 contains the MS2 mass spectrum of 5,4'-Dihydroxy-7-methoxyflavone (Genkwanin, 7-methoxyapigenin) with the InChIkey JPMYFOBNRRGFNO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H12O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
SMILES C(OC1=C(C(=C2C(=C1[H])OC(=C(C2=O)[H])C3=C(C(=C(C(=C3[H])[H])O[H])[H])[H])O[H])[H])([H])([H])[H]
InChI Key JPMYFOBNRRGFNO-UHFFFAOYSA-N
Molecular Formula C16H12O5
Exact Mass 284.068 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-BS003748
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:36:36.431391
MetadataModified 2024-01-11T12:36:36.615781
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C10046 KEGG Ligand
CHEMBL210635 ChEMBL
890555 eMolecules
5281617 PubChem
14948337 PubChem: Thomson Pharma
PD086891 ProbesDrugs
437-64-9 ACToR
60019854 NMRShiftDB
SCHEMBL866123 SureChEMBL
5K3I5D6B2B FDA SRS
75718 ChEBI
HMDB0252684 Human Metabolome Database
NORSUL CCDC
ZINC000005732375 ZINC
50187658 BindingDB
13401 Brenda
51466 Brenda
LMPK12111018 LipidMaps
HY-N0731 MedChemExpress
232571 Brenda
MCULE-4718928065 Mcule
DTXSID80195908 EPA CompTox Dashboard
84089 Brenda
J61.256A Nikkaji
CB7732333 ChemicalBook
MTBLC75718 Metabolights
The data in this table is sourced from UniChem at EBI.