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.

Chemical Info

molecular Image
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

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