Dataset

Daidzein

This MassBank record with Accession MSBNK-BS-BS003043 contains the MS2 mass spectrum of Daidzein with the InChIkey ZQSIJRDFPHDXIC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
SMILES C1(=C(C(=C(C(=C1C2=C(OC3=C(C2=O)C(=C(C(=C3[H])O[H])[H])[H])[H])[H])[H])O[H])[H])[H]
InChI Key ZQSIJRDFPHDXIC-UHFFFAOYSA-N
Molecular Formula C15H10O4
Exact Mass 254.058 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-BS003043
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:33:40.169148
MetadataModified 2024-01-11T12:33:40.341382
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL8145 ChEMBL
28197 ChEBI
2828 Guide to Pharmacology
C10208 KEGG Ligand
49684218 PubChem: Drugs of the Future
J6.014C Nikkaji
DAIDZEIN clinicaltrials
XEKCUO CCDC
LMPK12050038 LipidMaps
HY-N0019 MedChemExpress
23420 BindingDB
DTXSID9022310 EPA CompTox Dashboard
496368 eMolecules
ZF1 PDBe
SCHEMBL19814 SureChEMBL
MCULE-8239511422 Mcule
5281708 PubChem
14847806 PubChem: Thomson Pharma
60015845 NMRShiftDB
PD002203 ProbesDrugs
Daidzein Selleck
LSM-2935 LINCS
486-66-8 ACToR
6287WC5J2L FDA SRS
CB7173989 ChemicalBook
DB13182 DrugBank
124333 Brenda
28121 Brenda
206527 Brenda
124050 Brenda
MTBLC28197 Metabolights
183691 Brenda
ZINC000018847034 ZINC
848 Brenda
HMDB0003312 Human Metabolome Database
56863 Brenda
The data in this table is sourced from UniChem at EBI.