Dataset

Kaempferol-3,7,4'-trimethyl ether

This MassBank record with Accession MSBNK-BS-BS003559 contains the MS mass spectrum of Kaempferol-3,7,4'-trimethyl ether with the InChIkey WSQWAMGRHJQANC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)17-18(23-3)16(20)15-13(19)8-12(22-2)9-14(15)24-17/h4-9,19H,1-3H3
SMILES C(OC1=C(C(=C(C(=C1[H])[H])C2=C(C(=O)C3=C(C(=C(C(=C3O2)[H])OC([H])([H])[H])[H])O[H])OC([H])([H])[H])[H])[H])([H])([H])[H]
InChI Key WSQWAMGRHJQANC-UHFFFAOYSA-N
Molecular Formula C18H16O6
Exact Mass 328.095 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-BS003559
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:36:17.150598
MetadataModified 2024-01-11T12:36:17.329137
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL77686 ChEMBL
4368588 eMolecules
LMPK12112698 LipidMaps
ZINC000005733532 ZINC
DTXSID30165752 EPA CompTox Dashboard
50464569 BindingDB
HY-N3434 MedChemExpress
KAYSAE CCDC
CB5672574 ChemicalBook
60018472 NMRShiftDB
15050027 PubChem: Thomson Pharma
SCHEMBL4649968 SureChEMBL
15486-34-7 ACToR
J94.502A Nikkaji
5468749 PubChem
MCULE-6935609040 Mcule
The data in this table is sourced from UniChem at EBI.