Dataset

Kaempferol-3-O-rhamnoside

This MassBank record with Accession MSBNK-RIKEN-PR302443 contains the MS2 mass spectrum of Kaempferol-3-O-rhamnoside with the InChIkey SOSLMHZOJATCCP-AEIZVZFYSA-N.

Chemical Info

InChI	InChI=1S/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3/t8-,15-,17+,18+,21-/m0/s1
SMILES	C[C@@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O
InChI Key	SOSLMHZOJATCCP-AEIZVZFYSA-N
Molecular Formula	C21H20O10
Exact Mass	432.381 g/mol

Data and Resources

Kaempferol-3-O-rhamnosideHTML
Explore
- More information
- Go to resource

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR302443
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T20:43:12.893095
MetadataModified	2024-01-11T20:43:13.097964
MetadataPublished	2019-03-28

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL240528	ChEMBL
C16911	KEGG Ligand
6854804	eMolecules
CB6321426	ChemicalBook
AFE	PDBe
MTBLC80790	Metabolights
MCULE-1968715677	Mcule
HY-N1441	MedChemExpress
ZINC000015657732	ZINC
5M86W1YH7O	FDA SRS
DTXSID50197459	EPA CompTox Dashboard
482-39-3	ACToR
5316673	PubChem
15428117	PubChem: Thomson Pharma
80790	ChEBI
PD118106	ProbesDrugs
SCHEMBL1689477	SureChEMBL
60021811	NMRShiftDB
J12.243B	Nikkaji
253218	Brenda
The data in this table is sourced from UniChem at EBI.