Dataset

492-62-6[13c.dx]

492-62-6

Chemical Information

molecular Image
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

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p10.s58.d258
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D258
Version
Author
Maintainer
Language english
MetadataPublished 2022-10-28T13:30:58.000000Z
Related Molecule
  • 6-(hydroxymethyl)oxane-2,3,4,5-tetrol
    • 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.