Dataset

Oroxylin A

This MassBank record with Accession MSBNK-BS-BS003961 contains the MS2 mass spectrum of Oroxylin A with the InChIkey LKOJGSWUMISDOF-UHFFFAOYSA-N.

InChI	InChI=1S/C16H12O5/c1-20-16-11(18)8-13-14(15(16)19)10(17)7-12(21-13)9-5-3-2-4-6-9/h2-8,18-19H,1H3
SMILES	C(OC1=C(C2=C(C(=C1O[H])[H])OC(=C(C2=O)[H])C3=C(C(=C(C(=C3[H])[H])[H])[H])[H])O[H])([H])([H])[H]
InChI Key	LKOJGSWUMISDOF-UHFFFAOYSA-N
Molecular Formula	C16H12O5
Exact Mass	284.068 g/mol

Data and Resources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003961
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:32:53.804157
MetadataModified	2024-01-11T12:32:53.973513
MetadataPublished	2017-12-01

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL183513	ChEMBL
61668	ChEBI
50430091	BindingDB
236288	Brenda
CB4480376	ChemicalBook
HY-N0560	MedChemExpress
PUZKUT	CCDC
DTXSID70197375	EPA CompTox Dashboard
LMPK12111096	LipidMaps
J12.179G	Nikkaji
MCULE-2436656462	Mcule
31430372	eMolecules
14799799	PubChem: Thomson Pharma
5320315	PubChem
60060794	NMRShiftDB
SCHEMBL431423	SureChEMBL
53K24Z586G	FDA SRS
480-11-5	ACToR
PD040563	ProbesDrugs
CB41179394	ChemicalBook
157594	Brenda
14187	Brenda
ZINC000005998558	ZINC
The data in this table is sourced from UniChem at EBI.