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
496368 eMolecules
ZF1 PDBe
CHEMBL8145 ChEMBL
28197 ChEBI
2828 Guide to Pharmacology
C10208 KEGG Ligand
49684218 PubChem: Drugs of the Future
183691 Brenda
MTBLC28197 Metabolights
848 Brenda
124050 Brenda
56863 Brenda
124333 Brenda
HMDB0003312 Human Metabolome Database
28121 Brenda
206527 Brenda
DB13182 DrugBank
CB7173989 ChemicalBook
HY-N0019 MedChemExpress
DTXSID9022310 EPA CompTox Dashboard
LMPK12050038 LipidMaps
DAIDZEIN clinicaltrials
XEKCUO CCDC
23420 BindingDB
ZINC000018847034 ZINC
J6.014C Nikkaji
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
The data in this table is sourced from UniChem at EBI.