Dataset

Baicalein

This MassBank record with Accession MSBNK-BS-BS003248 contains the MS mass spectrum of Baicalein with the InChIkey FXNFHKRTJBSTCS-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
SMILES C1(=C(C(=C(C(=C1[H])[H])C2=C(C(=O)C3=C(O2)C(=C(C(=C3O[H])O[H])O[H])[H])[H])[H])[H])[H]
InChI Key FXNFHKRTJBSTCS-UHFFFAOYSA-N
Molecular Formula C15H10O5
Exact Mass 270.053 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-BS003248
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:37:02.831617
MetadataModified 2024-01-11T12:37:02.989784
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C10023 KEGG Ligand
CHEMBL8260 ChEMBL
2979 ChEBI
22395190 PubChem: Drugs of the Future
236278 Brenda
50009001 BindingDB
BAICALEIN clinicaltrials
DB16101 DrugBank
HY-N0196 MedChemExpress
1102 Brenda
3WL PDBe
DTXSID2022389 EPA CompTox Dashboard
LMPK12111095 LipidMaps
ZINC000003871633 ZINC
5144 Guide to Pharmacology
J22.048E Nikkaji
RAMGOB CCDC
BAICALEIN rxnorm
MCULE-8669340472 Mcule
5281605 PubChem
479226 eMolecules
60023814 NMRShiftDB
PD000773 ProbesDrugs
49QAH60606 FDA SRS
LSM-6355 LINCS
491-67-8 ACToR
Baicalein Selleck
SCHEMBL139617 SureChEMBL
14824071 PubChem: Thomson Pharma
40175 Brenda
CB0738154 ChemicalBook
MTBLC2979 Metabolights
11882 Brenda
The data in this table is sourced from UniChem at EBI.