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
2979 ChEBI
22395190 PubChem: Drugs of the Future
C10023 KEGG Ligand
CHEMBL8260 ChEMBL
479226 eMolecules
LSM-6355 LINCS
14824071 PubChem: Thomson Pharma
5281605 PubChem
SCHEMBL139617 SureChEMBL
Baicalein Selleck
491-67-8 ACToR
49QAH60606 FDA SRS
PD000773 ProbesDrugs
60023814 NMRShiftDB
MCULE-8669340472 Mcule
J22.048E Nikkaji
RAMGOB CCDC
5144 Guide to Pharmacology
11882 Brenda
40175 Brenda
CB0738154 ChemicalBook
MTBLC2979 Metabolights
236278 Brenda
DTXSID2022389 EPA CompTox Dashboard
ZINC000003871633 ZINC
50009001 BindingDB
BAICALEIN rxnorm
BAICALEIN clinicaltrials
DB16101 DrugBank
HY-N0196 MedChemExpress
1102 Brenda
LMPK12111095 LipidMaps
3WL PDBe
The data in this table is sourced from UniChem at EBI.