Dataset

2'-Hydroxy-4-methoxychalcone

This MassBank record with Accession MSBNK-BS-BS003816 contains the MS mass spectrum of 2'-Hydroxy-4-methoxychalcone with the InChIkey NXBNYUSXDBHELA-DHZHZOJOSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H14O3/c1-19-13-9-6-12(7-10-13)8-11-16(18)14-4-2-3-5-15(14)17/h2-11,17H,1H3/b11-8+
SMILES C(OC1=C(C(=C(C(=C1[H])[H])/C(=C(/C(=O)C2=C(C(=C(C(=C2O[H])[H])[H])[H])[H])\[H])/[H])[H])[H])([H])([H])[H]
InChI Key NXBNYUSXDBHELA-DHZHZOJOSA-N
Molecular Formula C16H14O3
Exact Mass 254.094 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-BS003816
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:38:13.885580
MetadataModified 2024-01-11T12:38:14.038491
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL241862 ChEMBL
926788 eMolecules
5331295 PubChem
14819457 PubChem: Thomson Pharma
SCHEMBL2807599 SureChEMBL
MCULE-7544284839 Mcule
J856.764F Nikkaji
J124.948G Nikkaji
XIGQEK CCDC
ZINC000003897187 ZINC
237599 Brenda
76395 BindingDB
The data in this table is sourced from UniChem at EBI.