Dataset

Kaempferol

This MassBank record with Accession MSBNK-BS-BS003362 contains the MS2 mass spectrum of Kaempferol with the InChIkey IYRMWMYZSQPJKC-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
SMILES C1(=C(C(=C(C(=C1C2=C(C(=O)C3=C(C(=C(C(=C3O2)[H])O[H])[H])O[H])O[H])[H])[H])O[H])[H])[H]
InChI Key IYRMWMYZSQPJKC-UHFFFAOYSA-N
Molecular Formula C15H10O6
Exact Mass 286.048 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-BS003362
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:34:43.150201
MetadataModified 2024-01-11T12:34:43.306898
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
408 Brenda
HMDB0005801 Human Metabolome Database
CB5223176 ChemicalBook
731P2LE49E FDA SRS
MCULE-8965218413 Mcule
MTBLC28499 Metabolights
62438 Brenda
35794 Brenda
7628 Brenda
LSM-5304 LINCS
520-18-3 ACToR
14751111 PubChem: Thomson Pharma
5280863 PubChem
Kaempferol Selleck
PD000231 ProbesDrugs
524531 eMolecules
SCHEMBL18817 SureChEMBL
J1.575J Nikkaji
ZINC000003869768 ZINC
LMPK12110003 LipidMaps
43511 Brenda
DTXSID7020768 EPA CompTox Dashboard
243651 Brenda
HY-14590 MedChemExpress
60005037 NMRShiftDB
11052 Guide to Pharmacology
7462 BindingDB
EJEPOA CCDC
DB01852 DrugBank
56310599 PubChem: Drugs of the Future
CHEMBL150 ChEMBL
KMP PDBe
28499 ChEBI
C05903 KEGG Ligand
The data in this table is sourced from UniChem at EBI.