| SpectraBase Spectrum ID |
IUSasFNSO3a |
| Name |
cis-1,2-Cyclohexanediol |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
1792-81-0 |
| ChEBI ID |
32329 |
| Comments |
100 mM cis-1,2-cyclohexanediol - Sigma-Aldrich
Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C6H12O2 |
| IUPAC Name |
(1R,2S)-cyclohexane-1,2-diol |
| InChI |
InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2/t5-,6+ |
| InChIKey |
PFURGBBHAOXLIO-OLQVQODUSA-N |
| KEGG Compound ID |
C12313 |
| KEGG Pathways |
PATH: ko00930 Caprolactam degradation |
| PubChem Compound ID |
92903 |
| SMILES |
C1CCC(C(C1)O)O; C1CC[C@@H]([C@@H](C1)O)O |
| Source File Reference |
bmse000469 |
