Dataset

Buddleoflavonol, 4'-Methoxy-5,7-dihydroxyflavone, Acac, Apisenin 4'-methyl ether, acacetin, 4'-Methoxyapigenin, Methyl-4'-Apigenin, 5,7-Dihydroxy-4'-methoxyflavone, Apigenin-4'-methylether, Linarigenin, 5,7-Dihydroxy-2-(4-methoxyphenyl)-4-benzopyrone, Linarisenin

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS084108 contains the MS2 mass spectrum of Buddleoflavonol, 4'-Methoxy-5,7-dihydroxyflavone, Acac, Apisenin 4'-methyl ether, acacetin, 4'-Methoxyapigenin, Methyl-4'-Apigenin, 5,7-Dihydroxy-4'-methoxyflavone, Apigenin-4'-methylether, Linarigenin, 5,7-Dihydroxy-2-(4-methoxyphenyl)-4-benzopyrone, Linarisenin with the InChIkey DANYIYRPLHHOCZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3
SMILES COC1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
InChI Key DANYIYRPLHHOCZ-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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS084108
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:08:00.484233
MetadataModified 2025-02-09T19:20:48.353599
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL107712 SureChEMBL
ZINC000003871358 ZINC
CB9316535 ChemicalBook
14039 Brenda
4661 Brenda
125030 Brenda
MTBLC15335 Metabolights
474250 eMolecules
5280442 PubChem
60022381 NMRShiftDB
15369193 PubChem: Thomson Pharma
KWI7J0A2CC FDA SRS
LSM-6662 LINCS
480-44-4 ACToR
PD037100 ProbesDrugs
56310581 PubChem: Drugs of the Future
CHEMBL243664 ChEMBL
C01470 KEGG Ligand
LMPK12110468 LipidMaps
23415 BindingDB
HY-N0451 MedChemExpress
J6.166B Nikkaji
DTXSID00197383 EPA CompTox Dashboard
91589 Brenda
MCULE-8773156096 Mcule
DAXMFV CCDC
15335 ChEBI
The data in this table is sourced from UniChem at EBI.