Dataset

sinensetin[5]

This dataset contains NMR spectra obtained for the sample containing sinensetin

InChI	InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3
SMILES	COC1=C(OC)C=C(C2=CC(=O)C3=C(C=C(OC)C(OC)=C3OC)O2)C=C1
InChI Key	LKMNXYDUQXAUCZ-UHFFFAOYSA-N
Molecular Formula	C20H20O7
Exact Mass	372.400 g/mol

Data and Resources

Field	Value
DOI	10.57992/nmrxiv.p29.s1279.d5542
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D5542
Version
Author	Katrin Steinke, Elena Jose, Dieter Sicker, Hans-Ullrich Siehl, Klaus-Peter Zeller, Prof. Dr. Stefan Berger
Maintainer
Language	english
MetadataPublished	2025-08-27T10:44:49.000000Z
Related Molecule

Field	Value
Measurement Technique
Measurement Variables	NMR solvent : acquisition nucleus : NMR spectrum by dimensionality : NMR probe : Temperature : K magnetic field strength : Tesla number of scans : scans nuclear magnetic resonance pulse sequence : Spectral Width : number of data points : points relaxation time measurement : seconds

Data-Source Molecule ID	Data-Source
C10186	KEGG Ligand
CHEMBL226507	ChEMBL
20237348	NMRShiftDB
J94.519F	Nikkaji
ZINC000001531698	ZINC
LMPK12111250	LipidMaps
DTXSID60177626	EPA CompTox Dashboard
50338975	BindingDB
9159	ChEBI
HY-N0297	MedChemExpress
240LNZ51AT	FDA SRS
145659	PubChem
PD000900	ProbesDrugs
LSM-3903	LINCS
14779639	PubChem: Thomson Pharma
2306-27-6	ACToR
SCHEMBL621101	SureChEMBL
1936007	eMolecules
CB8237507	ChemicalBook
HMDB0036633	Human Metabolome Database
MTBLC9159	Metabolights
The data in this table is sourced from UniChem at EBI.