Dataset

Diethylstilbestrol

This MassBank record with Accession MSBNK-UFZ-UF416101 contains the MS2 mass spectrum of Diethylstilbestrol with the InChIkey RGLYKWWBQGJZGM-ISLYRVAYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
SMILES CC\C(=C(\CC)C1=CC=C(O)C=C1)C1=CC=C(O)C=C1
InChI Key RGLYKWWBQGJZGM-ISLYRVAYSA-N
Molecular Formula C18H20O2
Exact Mass 268.146 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF416101
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:52:28.665995
MetadataModified 2025-02-09T19:50:13.774296
MetadataPublished 2017-01-05
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
44833 Brenda
CB9751457 ChemicalBook
20200150 NMRShiftDB
MCULE-3156396266 Mcule
41922 ChEBI
448537 PubChem
PD002375 ProbesDrugs
DB00255 DrugBank
diethylstilbestrol Atlas
14848307 PubChem: Thomson Pharma
22610-99-7 ACToR
SCHEMBL9223 SureChEMBL
PA449307 PharmGKB
Diethylstilbestrol(Stilbestrol) Selleck
731DCA35BT FDA SRS
489194 eMolecules
HMDB0302859 Human Metabolome Database
ESTILO CCDC
2801 Guide to Pharmacology
DIETHYLSTILBESTROL DailyMed
DTXSID3020465 EPA CompTox Dashboard
20625 BindingDB
ZINC000000001290 ZINC
J113.282B Nikkaji
LSM-42960 LINCS
DIETHYLSTILBESTROL rxnorm
J2.801K Nikkaji
STILBETIN clinicaltrials
STILBESTROL clinicaltrials
DIETHYLSTILBESTROL clinicaltrials
875 DrugCentral
HY-14598 MedChemExpress
CB0503501 ChemicalBook
CHEMBL411 ChEMBL
DES PDBe
56310572 PubChem: Drugs of the Future
C07620 KEGG Ligand
The data in this table is sourced from UniChem at EBI.