| SpectraBase Spectrum ID |
6JIjLjU4FSI |
| Name |
I-Erythritol |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
10030-58-7
149-32-6
188346-77-2 |
| ChEBI ID |
17113 |
| Comments |
100 mM i-erythritol - vendor: MP Biomedicals 101651; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz
(Data collected by Madison Metabolomics Consortium) |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C4H10O4 |
| IUPAC Name |
butane-1,2,3,4-tetrol |
| InChI |
InChI=1S/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2/t3-,4+ |
| InChIKey |
UNXHWFMMPAWVPI-ZXZARUISSA-N |
| KEGG Compound ID |
C00503 |
| PubChem Compound ID |
8998 |
| SMILES |
C(C(C(CO)O)O)O |
| Source File Reference |
bmse000095 |
