Dataset

492-62-6.noesy

492-62-6

InChI	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2
SMILES	OCC1OC(O)C(O)C(O)C1O
InChI Key	WQZGKKKJIJFFOK-UHFFFAOYSA-N
Molecular Formula	C6H12O6
Exact Mass	180.160 g/mol

Data and Resources

Field	Value
DOI	10.57992/nmrxiv.p10.s58.d252
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D252
Version
Author
Maintainer
Language	english
MetadataCreated	2024-04-22T16:39:14.193818
MetadataModified	2025-02-03T16:11:34.668631
MetadataPublished	2022-10-28 13:30:58

Field	Value
Measurement Technique	noesy
Measurement Variables	NMR solvent : DMSO acquisition nucleus : 1H , 1H NMR spectrum by dimensionality : 2 NMR probe : 5 mm TBI 1H/31P/D-BB Z-GRD Z8704/0003 Temperature : 298 K irradiation frequency : 600.2 MHz , 600.2 MHz magnetic field strength : 14.096654402599738 Tesla number of scans : 4 scans nuclear magnetic resonance pulse sequence : noesygpph Spectral Width : 3.76946518050705 , 3.76946464122321 number of data points : [2048, 256] points relaxation time measurement : 2 seconds

Data-Source Molecule ID	Data-Source
3458-28-4	ACToR
50-99-7	ACToR
10257-28-0	ACToR
39392-65-9	ACToR
10030-80-5	ACToR
2280-44-6	ACToR
39392-62-6	ACToR
26655-34-5	ACToR
59-23-4	ACToR
579-36-2	ACToR
26566-61-0	ACToR
492-61-5	ACToR
80004717	NMRShiftDB
SCHEMBL34307	SureChEMBL
PD055411	ProbesDrugs
206	PubChem
14772730	PubChem: Thomson Pharma
MCULE-3577973754	Mcule
20942	Brenda
169985	Brenda
44225	Brenda
SCHEMBL20094856	SureChEMBL
17663	Brenda
16531	Brenda
172499	Brenda
901748	eMolecules
167473	ChEBI
HMDB0250761	Human Metabolome Database
ADGALA	CCDC
J1.257.525D	Nikkaji
C00738	KEGG Ligand
The data in this table is sourced from UniChem at EBI.