Dataset

492-62-6.c13

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.d257
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D257
Version
Author
Maintainer
Language	english
MetadataCreated	2024-04-22T15:41:07.291707
MetadataModified	2025-02-03T15:11:53.717330
MetadataPublished	2022-10-28 13:30:58

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : DMSO acquisition nucleus : 13C NMR spectrum by dimensionality : 1 NMR probe : 5 mm TBI 1H/31P/D-BB Z-GRD Z8704/0003 Temperature : 298 K magnetic field strength : 14.09365155611028 Tesla number of scans : 122 scans nuclear magnetic resonance pulse sequence : zgdc30 Spectral Width : 238.894703827182 number of data points : 65536 points relaxation time measurement : 2 seconds

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